Institute of Experimental Mineralogy Russian Academy of Sciences ------------------------------------------------- 142432, Chernogolovka, Moscow district A.V. Chichagov +7(496)52-22320 *** *** W W W - X R A Y P O L *** *********************** PERTLIKITE 1, DF K(2)(Fe++,Mg)(2)(Mg,Fe+++)(4)Fe+++(2)Al[SO(4)](12).18H(2)O Tetragonal * I4(1)/acd Z = 4 *I4(1)/acd 15 .3 .13 Ref.Str.: Ertl A., Dyar M.D., Hughes J.M., Brandstatter F., Gunter M.E., Prem M., Peterson R.C. (2008) * Canad. Mineral., 46, 661-669 R: from Madeni Zakh, Iran. N.A.D. Initial data from BDM-file Lattice parameters (cub. angs.,degr.): a = 19.208 alpha = 90.0 b = 19.208 beta = 90.0 c = 27.2158 gamma = 90.0 Unit cell volume (cub. angs.) = 10041.19 Molar volume ( cub.cm/mol.) = 1512.05 Co-ordinates, thermal parameters, occupation for atomic positions: NoP x/a y/b z/c B(j) atom / occupation 1 0.9617 0.0132 0.8817 0.0 S = 1.00 2 0.8558 0.0932 0.0122 0.0 S = 1.00 3 0.1063 0.1306 0.9744 0.0 S = 1.00 4 0.0 0.0 0.0 0.0 Fe = 1.00 5 0.7942 0.0 0.75 0.0 Fe = 0.72, Mg = 0.28 6 0.8525 0.1474 0.8972 0.0 Mg = 0.74, Fe = 0.26 7 0.0 0.25 0.125 0.0 Al = 1.00 8 0.0001 0.0 0.75 0.0 K = 1.00 9 0.94 0.949 0.8573 0.0 O = 1.00 10 0.0053 0.0543 0.8483 0.0 O = 1.00 11 0.8987 0.0518 0.8956 0.0 O = 1.00 12 0.0026 0.9962 0.9264 0.0 O = 1.00 13 0.8527 0.1389 0.0549 0.0 O = 1.00 14 0.8231 0.1271 0.9698 0.0 O = 1.00 15 0.8189 0.0282 0.0248 0.0 O = 1.00 16 0.9295 0.077 0.0003 0.0 O = 1.00 17 0.0885 0.198 0.9958 0.0 O = 1.00 18 0.0805 0.1289 0.9237 0.0 O = 1.00 19 0.1825 0.1214 0.9756 0.0 O = 1.00 20 0.0735 0.0739 0.0033 0.0 O = 1.00 21 0.9403 0.1974 0.921 0.0 O = 1.00 22 0.9744 0.1777 0.9208 0.0 H = 1.00 23 0.9316 0.2257 0.9413 0.0 H = 1.00 24 0.7993 0.0432 0.6808 0.0 O = 1.00 25 0.8389 0.0467 0.6716 0.0 H = 1.00 26 0.7683 0.0688 0.6744 0.0 H = 1.00 27 0.7595 0.1024 0.8785 0.0 O = 1.00 28 0.7275 0.112 0.8966 0.0 H = 1.00 29 0.752 0.096 0.8505 0.0 H = 1.00 30 0.9863 0.1927 0.179 0.0 H(2)O = 0.22, H(2)O = 0.0 31 0.981 0.1585 0.1034 0.0 H(2)O = 0.22, H(2)O = 0.0 32 0.9241 0.282 0.0895 0.0 H(2)O = 0.24, H(2)O = 0.0 33 0.0579 0.2639 0.1799 0.0 H(2)O = 0.22, H(2)O = 0.0 34 0.0898 0.2685 0.1036 0.0 H(2)O = 0.23, H(2)O = 0.0 35 0.9668 0.3269 0.0889 0.0 H(2)O = 0.23, H(2)O = 0.0 36 0.0 0.25 0.1946 0.0 H(2)O = 0.13, H(2)O = 0.0 37 0.9303 0.3197 0.125 0.0 H(2)O = 0.13, H(2)O = 0.0 38 0.0694 0.3194 0.125 0.0 H(2)O = 0.13, H(2)O = 0.0 Co-ordinates for all atomic positions : No NoP x/a y/b z/c 1 1 0.9617 0.0132 0.8817 2 2 0.8558 0.0932 0.0122 3 3 0.1063 0.1306 0.9744 4 4 0.0 0.0 0.0 5 5 0.7942 0.0 0.75 6 6 0.8525 0.1474 0.8972 7 7 0.0 0.25 0.125 8 8 0.0001 0.0 0.75 9 9 0.94 0.949 0.8573 10 10 0.0053 0.0543 0.8483 11 11 0.8987 0.0518 0.8956 12 12 0.0026 0.9962 0.9264 13 13 0.8527 0.1389 0.0549 14 14 0.8231 0.1271 0.9698 15 15 0.8189 0.0282 0.0248 16 16 0.9295 0.077 0.0003 17 17 0.0885 0.198 0.9958 18 18 0.0805 0.1289 0.9237 19 19 0.1825 0.1214 0.9756 20 20 0.0735 0.0739 0.0033 21 21 0.9403 0.1974 0.921 22 22 0.9744 0.1777 0.9208 23 23 0.9316 0.2257 0.9413 24 24 0.7993 0.0432 0.6808 25 25 0.8389 0.0467 0.6716 26 26 0.7683 0.0688 0.6744 27 27 0.7595 0.1024 0.8785 28 28 0.7275 0.112 0.8966 29 29 0.752 0.096 0.8505 30 30 0.9863 0.1927 0.179 31 31 0.981 0.1585 0.1034 32 32 0.9241 0.282 0.0895 33 33 0.0579 0.2639 0.1799 34 34 0.0898 0.2685 0.1036 35 35 0.9668 0.3269 0.0889 36 36 0.0 0.25 0.1946 37 37 0.9303 0.3197 0.125 38 38 0.0694 0.3194 0.125 39 1 0.0383 0.9868 0.1183 40 2 0.1442 0.9068 0.9878 41 3 0.8937 0.8694 0.0256 42 5 0.2058 0.0 0.25 43 6 0.1475 0.8526 0.1028 44 7 0.0 0.75 0.875 45 8 0.0 0.0 0.25 46 9 0.06 0.051 0.1427 47 10 0.9947 0.9457 0.1517 48 11 0.1013 0.9482 0.1044 49 12 0.9974 0.0038 0.0736 50 13 0.1473 0.8611 0.9451 51 14 0.1769 0.8729 0.0302 52 15 0.1811 0.9718 0.9752 53 16 0.0705 0.923 0.9997 54 17 0.9115 0.802 0.0042 55 18 0.9195 0.8711 0.0763 56 19 0.8175 0.8786 0.0244 57 20 0.9265 0.9261 0.9967 58 21 0.0597 0.8026 0.079 59 22 0.0256 0.8223 0.0792 60 23 0.0684 0.7743 0.0587 61 24 0.2007 0.9568 0.3192 62 25 0.1611 0.9533 0.3284 63 26 0.2317 0.9312 0.3256 64 27 0.2405 0.8976 0.1215 65 28 0.2725 0.888 0.1034 66 29 0.248 0.904 0.1495 67 30 0.0137 0.8073 0.821 68 31 0.019 0.8415 0.8966 69 32 0.0759 0.718 0.9105 70 33 0.9421 0.7361 0.8201 71 34 0.9102 0.7315 0.8964 72 35 0.0332 0.6731 0.9111 73 36 0.0 0.75 0.8054 74 37 0.0697 0.6803 0.875 75 38 0.9306 0.6806 0.875 76 1 0.4617 0.0132 0.6183 77 2 0.3558 0.0932 0.4878 78 3 0.6063 0.1306 0.5256 79 4 0.5 0.0 0.5 80 5 0.2942 0.0 0.75 81 6 0.3525 0.1474 0.6028 82 7 0.5 0.25 0.375 83 8 0.5001 0.0 0.75 84 9 0.44 0.949 0.6427 85 10 0.5053 0.0543 0.6517 86 11 0.3987 0.0518 0.6044 87 12 0.5026 0.9962 0.5736 88 13 0.3527 0.1389 0.4451 89 14 0.3231 0.1271 0.5302 90 15 0.3189 0.0282 0.4752 91 16 0.4295 0.077 0.4997 92 17 0.5885 0.198 0.5042 93 18 0.5805 0.1289 0.5763 94 19 0.6825 0.1214 0.5244 95 20 0.5735 0.0739 0.4967 96 21 0.4403 0.1974 0.579 97 22 0.4744 0.1777 0.5792 98 23 0.4316 0.2257 0.5587 99 24 0.2993 0.0432 0.8192 100 25 0.3389 0.0467 0.8284 101 26 0.2683 0.0688 0.8256 102 27 0.2595 0.1024 0.6215 103 28 0.2275 0.112 0.6034 104 29 0.252 0.096 0.6495 105 30 0.4863 0.1927 0.321 106 31 0.481 0.1585 0.3966 107 32 0.4241 0.282 0.4105 108 33 0.5579 0.2639 0.3201 109 34 0.5898 0.2685 0.3964 110 35 0.4668 0.3269 0.4111 111 36 0.5 0.25 0.3054 112 37 0.4303 0.3197 0.375 113 38 0.5694 0.3194 0.375 114 1 0.5383 0.9868 0.3817 115 2 0.6442 0.9068 0.5122 116 3 0.3937 0.8694 0.4744 117 5 0.7058 0.0 0.25 118 6 0.6475 0.8526 0.3972 119 7 0.5 0.75 0.625 120 8 0.5 0.0 0.25 121 9 0.56 0.051 0.3573 122 10 0.4947 0.9457 0.3483 123 11 0.6013 0.9482 0.3956 124 12 0.4974 0.0038 0.4264 125 13 0.6473 0.8611 0.5549 126 14 0.6769 0.8729 0.4698 127 15 0.6811 0.9718 0.5248 128 16 0.5705 0.923 0.5003 129 17 0.4115 0.802 0.4958 130 18 0.4195 0.8711 0.4237 131 19 0.3175 0.8786 0.4756 132 20 0.4265 0.9261 0.5033 133 21 0.5597 0.8026 0.421 134 22 0.5256 0.8223 0.4208 135 23 0.5684 0.7743 0.4413 136 24 0.7007 0.9568 0.1808 137 25 0.6611 0.9533 0.1716 138 26 0.7317 0.9312 0.1744 139 27 0.7405 0.8976 0.3785 140 28 0.7725 0.888 0.3966 141 29 0.748 0.904 0.3505 142 30 0.5137 0.8073 0.679 143 31 0.519 0.8415 0.6034 144 32 0.5759 0.718 0.5895 145 33 0.4421 0.7361 0.6799 146 34 0.4102 0.7315 0.6036 147 35 0.5332 0.6731 0.5889 148 36 0.5 0.75 0.6946 149 37 0.5697 0.6803 0.625 150 38 0.4306 0.6806 0.625 151 1 0.9617 0.5132 0.1183 152 2 0.8558 0.5932 0.9878 153 3 0.1063 0.6306 0.0256 154 4 0.0 0.5 0.0 155 5 0.7942 0.5 0.25 156 6 0.8525 0.6474 0.1028 157 8 0.0 0.5 0.25 158 9 0.94 0.449 0.1427 159 10 0.0053 0.5543 0.1517 160 11 0.8987 0.5518 0.1044 161 12 0.0026 0.4962 0.0736 162 13 0.8527 0.6389 0.9451 163 14 0.8231 0.6271 0.0302 164 15 0.8189 0.5282 0.9752 165 16 0.9295 0.577 0.9997 166 17 0.0885 0.698 0.0042 167 18 0.0805 0.6289 0.0763 168 19 0.1825 0.6214 0.0244 169 20 0.0735 0.5739 0.9967 170 21 0.9403 0.6974 0.079 171 22 0.9744 0.6777 0.0792 172 23 0.9316 0.7257 0.0587 173 24 0.7993 0.5433 0.3192 174 25 0.8389 0.5467 0.3284 175 26 0.7683 0.5688 0.3256 176 27 0.7595 0.6024 0.1215 177 28 0.7275 0.612 0.1034 178 29 0.752 0.596 0.1495 179 30 0.9863 0.6927 0.821 180 31 0.981 0.6585 0.8966 181 32 0.9241 0.782 0.9105 182 33 0.0579 0.7639 0.8201 183 34 0.0898 0.7685 0.8964 184 35 0.9668 0.8269 0.9111 185 37 0.9303 0.8197 0.875 186 38 0.0694 0.8194 0.875 187 1 0.0383 0.4868 0.8817 188 2 0.1442 0.4068 0.0122 189 3 0.8937 0.3693 0.9744 190 5 0.2058 0.5 0.75 191 6 0.1475 0.3526 0.8972 192 8 0.0 0.5 0.75 193 9 0.06 0.551 0.8573 194 10 0.9947 0.4457 0.8483 195 11 0.1013 0.4482 0.8956 196 12 0.9974 0.5038 0.9264 197 13 0.1473 0.3611 0.0549 198 14 0.1769 0.3729 0.9698 199 15 0.1811 0.4718 0.0248 200 16 0.0705 0.423 0.0003 201 17 0.9115 0.302 0.9958 202 18 0.9195 0.3711 0.9237 203 19 0.8175 0.3786 0.9756 204 20 0.9265 0.4261 0.0033 205 21 0.0597 0.3026 0.921 206 22 0.0256 0.3223 0.9208 207 23 0.0684 0.2743 0.9413 208 24 0.2007 0.4568 0.6808 209 25 0.1611 0.4533 0.6716 210 26 0.2317 0.4312 0.6744 211 27 0.2405 0.3976 0.8785 212 28 0.2725 0.388 0.8966 213 29 0.248 0.404 0.8505 214 30 0.0137 0.3073 0.179 215 31 0.019 0.3415 0.1034 216 32 0.0759 0.218 0.0895 217 33 0.9421 0.2361 0.1799 218 34 0.9102 0.2315 0.1036 219 35 0.0332 0.1731 0.0889 220 37 0.0697 0.1803 0.125 221 38 0.9306 0.1806 0.125 222 1 0.4617 0.5132 0.3817 223 2 0.3558 0.5932 0.5122 224 3 0.6063 0.6306 0.4744 225 4 0.5 0.5 0.5 226 5 0.2942 0.5 0.25 227 6 0.3525 0.6474 0.3972 228 8 0.5001 0.5 0.25 229 9 0.44 0.449 0.3573 230 10 0.5053 0.5543 0.3483 231 11 0.3987 0.5518 0.3956 232 12 0.5026 0.4962 0.4264 233 13 0.3527 0.6389 0.5549 234 14 0.3231 0.6271 0.4698 235 15 0.3189 0.5282 0.5248 236 16 0.4295 0.577 0.5003 237 17 0.5885 0.698 0.4958 238 18 0.5805 0.6289 0.4237 239 19 0.6825 0.6214 0.4756 240 20 0.5735 0.5739 0.5033 241 21 0.4403 0.6974 0.421 242 22 0.4744 0.6777 0.4208 243 23 0.4316 0.7257 0.4413 244 24 0.2993 0.5433 0.1808 245 25 0.3389 0.5467 0.1716 246 26 0.2683 0.5688 0.1744 247 27 0.2595 0.6024 0.3785 248 28 0.2275 0.612 0.3966 249 29 0.252 0.596 0.3505 250 30 0.4863 0.6927 0.679 251 31 0.481 0.6585 0.6034 252 32 0.4241 0.782 0.5895 253 33 0.5579 0.7639 0.6799 254 34 0.5898 0.7685 0.6036 255 35 0.4668 0.8269 0.5889 256 37 0.4303 0.8197 0.625 257 38 0.5694 0.8194 0.625 258 1 0.5383 0.4868 0.6183 259 2 0.6442 0.4068 0.4878 260 3 0.3937 0.3693 0.5256 261 5 0.7058 0.5 0.75 262 6 0.6475 0.3526 0.6028 263 8 0.5 0.5 0.75 264 9 0.56 0.551 0.6427 265 10 0.4947 0.4457 0.6517 266 11 0.6013 0.4482 0.6044 267 12 0.4974 0.5038 0.5736 268 13 0.6473 0.3611 0.4451 269 14 0.6769 0.3729 0.5302 270 15 0.6811 0.4718 0.4752 271 16 0.5705 0.423 0.4997 272 17 0.4115 0.302 0.5042 273 18 0.4195 0.3711 0.5763 274 19 0.3175 0.3786 0.5244 275 20 0.4265 0.4261 0.4967 276 21 0.5597 0.3026 0.579 277 22 0.5256 0.3223 0.5792 278 23 0.5684 0.2743 0.5587 279 24 0.7007 0.4568 0.8192 280 25 0.6611 0.4533 0.8284 281 26 0.7317 0.4312 0.8256 282 27 0.7405 0.3976 0.6215 283 28 0.7725 0.388 0.6034 284 29 0.748 0.404 0.6495 285 30 0.5137 0.3073 0.321 286 31 0.519 0.3415 0.3966 287 32 0.5759 0.218 0.4105 288 33 0.4421 0.2361 0.3201 289 34 0.4102 0.2315 0.3964 290 35 0.5332 0.1731 0.4111 291 37 0.5697 0.1803 0.375 292 38 0.4306 0.1806 0.375 293 1 0.0383 0.0132 0.3817 294 2 0.1442 0.0932 0.5122 295 3 0.8937 0.1306 0.4744 296 4 0.0 0.0 0.5 297 6 0.1475 0.1474 0.3972 298 7 0.0 0.25 0.625 299 9 0.06 0.949 0.3573 300 10 0.9947 0.0543 0.3483 301 11 0.1013 0.0518 0.3956 302 12 0.9974 0.9962 0.4264 303 13 0.1473 0.1389 0.5549 304 14 0.1769 0.1271 0.4698 305 15 0.1811 0.0282 0.5248 306 16 0.0705 0.077 0.5003 307 17 0.9115 0.198 0.4958 308 18 0.9195 0.1289 0.4237 309 19 0.8175 0.1214 0.4756 310 20 0.9265 0.0739 0.5033 311 21 0.0597 0.1974 0.421 312 22 0.0256 0.1777 0.4208 313 23 0.0684 0.2257 0.4413 314 24 0.2007 0.0432 0.1808 315 25 0.1611 0.0467 0.1716 316 26 0.2317 0.0688 0.1744 317 27 0.2405 0.1024 0.3785 318 28 0.2725 0.112 0.3966 319 29 0.248 0.096 0.3505 320 30 0.0137 0.1927 0.679 321 31 0.019 0.1585 0.6034 322 32 0.0759 0.282 0.5895 323 33 0.9421 0.2639 0.6799 324 34 0.9102 0.2685 0.6036 325 35 0.0332 0.3269 0.5889 326 36 0.0 0.25 0.6946 327 37 0.0697 0.3197 0.625 328 38 0.9306 0.3194 0.625 329 1 0.9617 0.9868 0.6183 330 2 0.8558 0.9068 0.4878 331 3 0.1063 0.8694 0.5256 332 6 0.8525 0.8526 0.6028 333 7 0.0 0.75 0.375 334 9 0.94 0.051 0.6427 335 10 0.0053 0.9457 0.6517 336 11 0.8987 0.9482 0.6044 337 12 0.0026 0.0038 0.5736 338 13 0.8527 0.8611 0.4451 339 14 0.8231 0.8729 0.5302 340 15 0.8189 0.9718 0.4752 341 16 0.9295 0.923 0.4997 342 17 0.0885 0.802 0.5042 343 18 0.0805 0.8711 0.5763 344 19 0.1825 0.8786 0.5244 345 20 0.0735 0.9261 0.4967 346 21 0.9403 0.8026 0.579 347 22 0.9744 0.8223 0.5792 348 23 0.9316 0.7743 0.5587 349 24 0.7993 0.9568 0.8192 350 25 0.8389 0.9533 0.8284 351 26 0.7683 0.9312 0.8256 352 27 0.7595 0.8976 0.6215 353 28 0.7275 0.888 0.6034 354 29 0.752 0.904 0.6495 355 30 0.9863 0.8073 0.321 356 31 0.981 0.8415 0.3966 357 32 0.9241 0.718 0.4105 358 33 0.0579 0.7361 0.3201 359 34 0.0898 0.7315 0.3964 360 35 0.9668 0.6731 0.4111 361 36 0.0 0.75 0.3054 362 37 0.9303 0.6803 0.375 363 38 0.0694 0.6806 0.375 364 1 0.5383 0.0132 0.1183 365 2 0.6442 0.0932 0.9878 366 3 0.3937 0.1306 0.0256 367 4 0.5 0.0 0.0 368 6 0.6475 0.1474 0.1028 369 7 0.5 0.25 0.875 370 9 0.56 0.949 0.1427 371 10 0.4947 0.0543 0.1517 372 11 0.6013 0.0518 0.1044 373 12 0.4974 0.9962 0.0736 374 13 0.6473 0.1389 0.9451 375 14 0.6769 0.1271 0.0302 376 15 0.6811 0.0282 0.9752 377 16 0.5705 0.077 0.9997 378 17 0.4115 0.198 0.0042 379 18 0.4195 0.1289 0.0763 380 19 0.3175 0.1214 0.0244 381 20 0.4265 0.0739 0.9967 382 21 0.5597 0.1974 0.079 383 22 0.5256 0.1777 0.0792 384 23 0.5684 0.2257 0.0587 385 24 0.7007 0.0432 0.3192 386 25 0.6611 0.0467 0.3284 387 26 0.7317 0.0688 0.3256 388 27 0.7405 0.1024 0.1215 389 28 0.7725 0.112 0.1034 390 29 0.748 0.096 0.1495 391 30 0.5137 0.1927 0.821 392 31 0.519 0.1585 0.8966 393 32 0.5759 0.282 0.9105 394 33 0.4421 0.2639 0.8201 395 34 0.4102 0.2685 0.8964 396 35 0.5332 0.3269 0.9111 397 36 0.5 0.25 0.8054 398 37 0.5697 0.3197 0.875 399 38 0.4306 0.3194 0.875 400 1 0.4617 0.9868 0.8817 401 2 0.3558 0.9068 0.0122 402 3 0.6063 0.8694 0.9744 403 6 0.3525 0.8526 0.8972 404 7 0.5 0.75 0.125 405 9 0.44 0.051 0.8573 406 10 0.5053 0.9457 0.8483 407 11 0.3987 0.9482 0.8956 408 12 0.5026 0.0038 0.9264 409 13 0.3527 0.8611 0.0549 410 14 0.3231 0.8729 0.9698 411 15 0.3189 0.9718 0.0248 412 16 0.4295 0.923 0.0003 413 17 0.5885 0.802 0.9958 414 18 0.5805 0.8711 0.9237 415 19 0.6825 0.8786 0.9756 416 20 0.5735 0.9261 0.0033 417 21 0.4403 0.8026 0.921 418 22 0.4744 0.8223 0.9208 419 23 0.4316 0.7743 0.9413 420 24 0.2993 0.9568 0.6808 421 25 0.3389 0.9533 0.6716 422 26 0.2683 0.9312 0.6744 423 27 0.2595 0.8976 0.8785 424 28 0.2275 0.888 0.8966 425 29 0.252 0.904 0.8505 426 30 0.4863 0.8073 0.179 427 31 0.481 0.8415 0.1034 428 32 0.4241 0.718 0.0895 429 33 0.5579 0.7361 0.1799 430 34 0.5898 0.7315 0.1036 431 35 0.4668 0.6731 0.0889 432 36 0.5 0.75 0.1946 433 37 0.4303 0.6803 0.125 434 38 0.5694 0.6806 0.125 435 1 0.0383 0.5132 0.6183 436 2 0.1442 0.5932 0.4878 437 3 0.8937 0.6306 0.5256 438 4 0.0 0.5 0.5 439 6 0.1475 0.6474 0.6028 440 9 0.06 0.449 0.6427 441 10 0.9947 0.5543 0.6517 442 11 0.1013 0.5518 0.6044 443 12 0.9974 0.4962 0.5736 444 13 0.1473 0.6389 0.4451 445 14 0.1769 0.6271 0.5302 446 15 0.1811 0.5282 0.4752 447 16 0.0705 0.577 0.4997 448 17 0.9115 0.698 0.5042 449 18 0.9195 0.6289 0.5763 450 19 0.8175 0.6214 0.5244 451 20 0.9265 0.5739 0.4967 452 21 0.0597 0.6974 0.579 453 22 0.0256 0.6777 0.5792 454 23 0.0684 0.7257 0.5587 455 24 0.2007 0.5433 0.8192 456 25 0.1611 0.5467 0.8284 457 26 0.2317 0.5688 0.8256 458 27 0.2405 0.6024 0.6215 459 28 0.2725 0.612 0.6034 460 29 0.248 0.596 0.6495 461 30 0.0137 0.6927 0.321 462 31 0.019 0.6585 0.3966 463 32 0.0759 0.782 0.4105 464 33 0.9421 0.7639 0.3201 465 34 0.9102 0.7685 0.3964 466 35 0.0332 0.8269 0.4111 467 37 0.0697 0.8197 0.375 468 38 0.9306 0.8194 0.375 469 1 0.9617 0.4868 0.3817 470 2 0.8558 0.4068 0.5122 471 3 0.1063 0.3693 0.4744 472 6 0.8525 0.3526 0.3972 473 9 0.94 0.551 0.3573 474 10 0.0053 0.4457 0.3483 475 11 0.8987 0.4482 0.3956 476 12 0.0026 0.5038 0.4264 477 13 0.8527 0.3611 0.5549 478 14 0.8231 0.3729 0.4698 479 15 0.8189 0.4718 0.5248 480 16 0.9295 0.423 0.5003 481 17 0.0885 0.302 0.4958 482 18 0.0805 0.3711 0.4237 483 19 0.1825 0.3786 0.4756 484 20 0.0735 0.4261 0.5033 485 21 0.9403 0.3026 0.421 486 22 0.9744 0.3223 0.4208 487 23 0.9316 0.2743 0.4413 488 24 0.7993 0.4568 0.1808 489 25 0.8389 0.4533 0.1716 490 26 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527 29 0.748 0.596 0.8505 528 30 0.5137 0.6927 0.179 529 31 0.519 0.6585 0.1034 530 32 0.5759 0.782 0.0895 531 33 0.4421 0.7639 0.1799 532 34 0.4102 0.7685 0.1036 533 35 0.5332 0.8269 0.0889 534 37 0.5697 0.8197 0.125 535 38 0.4306 0.8194 0.125 536 1 0.4617 0.4868 0.1183 537 2 0.3558 0.4068 0.9878 538 3 0.6063 0.3693 0.0256 539 6 0.3525 0.3526 0.1028 540 9 0.44 0.551 0.1427 541 10 0.5053 0.4457 0.1517 542 11 0.3987 0.4482 0.1044 543 12 0.5026 0.5038 0.0736 544 13 0.3527 0.3611 0.9451 545 14 0.3231 0.3729 0.0302 546 15 0.3189 0.4718 0.9752 547 16 0.4295 0.423 0.9997 548 17 0.5885 0.302 0.0042 549 18 0.5805 0.3711 0.0763 550 19 0.6825 0.3786 0.0244 551 20 0.5735 0.4261 0.9967 552 21 0.4403 0.3026 0.079 553 22 0.4744 0.3223 0.0792 554 23 0.4316 0.2743 0.0587 555 24 0.2993 0.4568 0.3192 556 25 0.3389 0.4533 0.3284 557 26 0.2683 0.4312 0.3256 558 27 0.2595 0.3976 0.1215 559 28 0.2275 0.388 0.1034 560 29 0.252 0.404 0.1495 561 30 0.4863 0.3073 0.821 562 31 0.481 0.3415 0.8966 563 32 0.4241 0.218 0.9105 564 33 0.5579 0.2361 0.8201 565 34 0.5898 0.2315 0.8964 566 35 0.4668 0.1731 0.9111 567 37 0.4303 0.1803 0.875 568 38 0.5694 0.1806 0.875 569 1 0.7368 0.2117 0.6317 570 1 0.7632 0.7883 0.1317 571 2 0.6568 0.1058 0.7622 572 2 0.8432 0.8942 0.2622 573 3 0.6194 0.3563 0.7244 574 3 0.8806 0.6437 0.2244 575 4 0.75 0.25 0.75 576 4 0.75 0.75 0.25 577 5 0.75 0.0442 0.5 578 5 0.75 0.9558 0.0 579 6 0.6026 0.1025 0.6472 580 6 0.8974 0.8975 0.1472 581 8 0.75 0.2501 0.5 582 8 0.75 0.7499 0.0 583 9 0.801 0.19 0.6073 584 9 0.699 0.81 0.1073 585 10 0.6957 0.2553 0.5983 586 10 0.8043 0.7447 0.0983 587 11 0.6982 0.1487 0.6456 588 11 0.8018 0.8513 0.1456 589 12 0.7538 0.2526 0.6764 590 12 0.7462 0.7474 0.1764 591 13 0.6111 0.1027 0.8049 592 13 0.8889 0.8973 0.3049 593 14 0.6229 0.0731 0.7198 594 14 0.8771 0.9269 0.2198 595 15 0.7218 0.0689 0.7748 596 15 0.7782 0.9311 0.2748 597 16 0.673 0.1795 0.7503 598 16 0.827 0.8205 0.2503 599 17 0.552 0.3385 0.7458 600 17 0.948 0.6615 0.2458 601 18 0.6211 0.3305 0.6737 602 18 0.8789 0.6695 0.1737 603 19 0.6286 0.4325 0.7256 604 19 0.8714 0.5675 0.2256 605 20 0.6761 0.3235 0.7533 606 20 0.8239 0.6765 0.2533 607 21 0.5526 0.1903 0.671 608 21 0.9474 0.8097 0.171 609 22 0.5723 0.2244 0.6708 610 22 0.9277 0.7756 0.1708 611 23 0.5243 0.1816 0.6913 612 23 0.9757 0.8184 0.1913 613 24 0.7068 0.0493 0.4308 614 24 0.7932 0.9507 0.9308 615 25 0.7033 0.0889 0.4216 616 25 0.7967 0.9111 0.9216 617 26 0.6812 0.0183 0.4244 618 26 0.8188 0.9817 0.9244 619 27 0.6476 0.0095 0.6285 620 27 0.8524 0.9905 0.1285 621 28 0.638 0.9775 0.6466 622 28 0.862 0.0225 0.1466 623 29 0.654 0.002 0.6005 624 29 0.846 0.998 0.1005 625 30 0.5573 0.2363 0.929 626 30 0.9427 0.7637 0.429 627 31 0.5915 0.231 0.8534 628 31 0.9085 0.769 0.3534 629 32 0.468 0.1741 0.8395 630 32 0.032 0.8259 0.3395 631 33 0.4861 0.3079 0.9299 632 33 0.0139 0.6921 0.4299 633 34 0.4815 0.3398 0.8536 634 34 0.0185 0.6602 0.3536 635 35 0.4231 0.2168 0.8389 636 35 0.0769 0.7832 0.3389 637 36 0.5 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0.1816 0.8087 750 23 0.4757 0.8184 0.3087 751 24 0.2067 0.0493 0.0692 752 24 0.2933 0.9507 0.5692 753 25 0.2033 0.0889 0.0784 754 25 0.2967 0.9111 0.5784 755 26 0.1812 0.0183 0.0756 756 26 0.3188 0.9817 0.5756 757 27 0.1476 0.0095 0.8715 758 27 0.3524 0.9905 0.3715 759 28 0.138 0.9775 0.8534 760 28 0.362 0.0225 0.3534 761 29 0.154 0.002 0.8995 762 29 0.346 0.998 0.3995 763 30 0.0573 0.2363 0.571 764 30 0.4427 0.7637 0.071 765 31 0.0915 0.231 0.6466 766 31 0.4085 0.769 0.1466 767 32 0.968 0.1741 0.6605 768 32 0.532 0.8259 0.1605 769 33 0.9861 0.3079 0.5701 770 33 0.5139 0.6921 0.0701 771 34 0.9815 0.3398 0.6464 772 34 0.5185 0.6602 0.1464 773 35 0.9231 0.2168 0.6611 774 35 0.5769 0.7832 0.1611 775 1 0.2632 0.2883 0.6317 776 1 0.2368 0.7117 0.1317 777 2 0.3432 0.3942 0.7622 778 2 0.1568 0.6058 0.2622 779 3 0.3807 0.1437 0.7244 780 3 0.1193 0.8563 0.2244 781 5 0.25 0.4558 0.5 782 5 0.25 0.5442 0.0 783 6 0.3974 0.3975 0.6472 784 6 0.1026 0.6025 0.1472 785 8 0.25 0.25 0.5 786 8 0.25 0.75 0.0 787 9 0.199 0.31 0.6073 788 9 0.301 0.69 0.1073 789 10 0.3043 0.2447 0.5983 790 10 0.1957 0.7553 0.0983 791 11 0.3018 0.3513 0.6456 792 11 0.1982 0.6487 0.1456 793 12 0.2462 0.2474 0.6764 794 12 0.2538 0.7526 0.1764 795 13 0.3889 0.3973 0.8049 796 13 0.1111 0.6027 0.3049 797 14 0.3771 0.4269 0.7198 798 14 0.1229 0.5731 0.2198 799 15 0.2782 0.4311 0.7748 800 15 0.2218 0.5689 0.2748 801 16 0.327 0.3205 0.7503 802 16 0.173 0.6795 0.2503 803 17 0.448 0.1615 0.7458 804 17 0.052 0.8385 0.2458 805 18 0.3789 0.1695 0.6737 806 18 0.1211 0.8305 0.1737 807 19 0.3714 0.0675 0.7256 808 19 0.1286 0.9325 0.2256 809 20 0.3239 0.1765 0.7533 810 20 0.1761 0.8235 0.2533 811 21 0.4474 0.3097 0.671 812 21 0.0526 0.6903 0.171 813 22 0.4277 0.2756 0.6708 814 22 0.0723 0.7244 0.1708 815 23 0.4757 0.3184 0.6913 816 23 0.0243 0.6816 0.1913 817 24 0.2932 0.4507 0.4308 818 24 0.2068 0.5493 0.9308 819 25 0.2967 0.4111 0.4216 820 25 0.2033 0.5889 0.9216 821 26 0.3188 0.4817 0.4244 822 26 0.1812 0.5183 0.9244 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0.731 0.8534 897 32 0.468 0.3259 0.3395 898 32 0.032 0.6741 0.8395 899 33 0.4861 0.1921 0.4299 900 33 0.0139 0.8079 0.9299 901 34 0.4815 0.1602 0.3536 902 34 0.0185 0.8398 0.8536 903 35 0.4231 0.2832 0.3389 904 35 0.0769 0.7168 0.8389 905 36 0.5 0.25 0.4446 906 36 0.0 0.75 0.9446 907 1 0.7632 0.2117 0.3683 908 1 0.7368 0.7883 0.8683 909 2 0.8432 0.1058 0.2378 910 2 0.6568 0.8942 0.7378 911 3 0.8806 0.3563 0.2756 912 3 0.6194 0.6437 0.7756 913 6 0.8974 0.1025 0.3528 914 6 0.6026 0.8975 0.8528 915 9 0.699 0.19 0.3927 916 9 0.801 0.81 0.8927 917 10 0.8043 0.2553 0.4017 918 10 0.6957 0.7447 0.9017 919 11 0.8018 0.1487 0.3544 920 11 0.6982 0.8513 0.8544 921 12 0.7462 0.2526 0.3236 922 12 0.7538 0.7474 0.8236 923 13 0.8889 0.1027 0.1951 924 13 0.6111 0.8973 0.6951 925 14 0.8771 0.0731 0.2802 926 14 0.6229 0.9269 0.7802 927 15 0.7782 0.0689 0.2252 928 15 0.7218 0.9311 0.7252 929 16 0.827 0.1795 0.2497 930 16 0.673 0.8205 0.7497 931 17 0.948 0.3385 0.2542 932 17 0.552 0.6615 0.7542 933 18 0.8789 0.3305 0.3263 934 18 0.6211 0.6695 0.8263 935 19 0.8714 0.4325 0.2744 936 19 0.6286 0.5675 0.7744 937 20 0.8239 0.3235 0.2467 938 20 0.6761 0.6765 0.7467 939 21 0.9474 0.1903 0.329 940 21 0.5526 0.8097 0.829 941 22 0.9277 0.2244 0.3292 942 22 0.5723 0.7756 0.8292 943 23 0.9757 0.1816 0.3087 944 23 0.5243 0.8184 0.8087 945 24 0.7932 0.0493 0.5692 946 24 0.7068 0.9507 0.0692 947 25 0.7967 0.0889 0.5784 948 25 0.7033 0.9111 0.0784 949 26 0.8188 0.0183 0.5756 950 26 0.6812 0.9817 0.0756 951 27 0.8524 0.0095 0.3715 952 27 0.6476 0.9905 0.8715 953 28 0.862 0.9775 0.3534 954 28 0.638 0.0225 0.8534 955 29 0.846 0.002 0.3995 956 29 0.654 0.998 0.8995 957 30 0.9427 0.2363 0.071 958 30 0.5573 0.7637 0.571 959 31 0.9085 0.231 0.1466 960 31 0.5915 0.769 0.6466 961 32 0.032 0.1741 0.1605 962 32 0.468 0.8259 0.6605 963 33 0.0139 0.3079 0.0701 964 33 0.4861 0.6921 0.5701 965 34 0.0185 0.3398 0.1464 966 34 0.4815 0.6602 0.6464 967 35 0.0769 0.2168 0.1611 968 35 0.4231 0.7832 0.6611 969 36 0.0 0.25 0.0554 970 36 0.5 0.75 0.5554 971 1 0.2368 0.2883 0.3683 972 1 0.2632 0.7117 0.8683 973 2 0.1568 0.3942 0.2378 974 2 0.3432 0.6058 0.7378 975 3 0.1194 0.1437 0.2756 976 3 0.3806 0.8563 0.7756 977 4 0.25 0.25 0.25 978 4 0.25 0.75 0.75 979 6 0.1026 0.3975 0.3528 980 6 0.3974 0.6025 0.8528 981 9 0.301 0.31 0.3927 982 9 0.199 0.69 0.8927 983 10 0.1957 0.2447 0.4017 984 10 0.3043 0.7553 0.9017 985 11 0.1982 0.3513 0.3544 986 11 0.3018 0.6487 0.8544 987 12 0.2538 0.2474 0.3236 988 12 0.2462 0.7526 0.8236 989 13 0.1111 0.3973 0.1951 990 13 0.3889 0.6027 0.6951 991 14 0.1229 0.4269 0.2802 992 14 0.3771 0.5731 0.7802 993 15 0.2218 0.4311 0.2252 994 15 0.2782 0.5689 0.7252 995 16 0.173 0.3205 0.2497 996 16 0.327 0.6795 0.7497 997 17 0.052 0.1615 0.2542 998 17 0.448 0.8385 0.7542 999 18 0.1211 0.1695 0.3263 1000 18 0.3789 0.8305 0.8263 1001 19 0.1286 0.0675 0.2744 1002 19 0.3714 0.9325 0.7744 1003 20 0.1761 0.1765 0.2467 1004 20 0.3239 0.8235 0.7467 1005 21 0.0526 0.3097 0.329 1006 21 0.4474 0.6903 0.829 1007 22 0.0723 0.2756 0.3292 1008 22 0.4277 0.7244 0.8292 1009 23 0.0243 0.3184 0.3087 1010 23 0.4757 0.6816 0.8087 1011 24 0.2067 0.4507 0.5692 1012 24 0.2933 0.5493 0.0692 1013 25 0.2033 0.4111 0.5784 1014 25 0.2967 0.5889 0.0784 1015 26 0.1812 0.4817 0.5756 1016 26 0.3188 0.5183 0.0756 1017 27 0.1476 0.4905 0.3715 1018 27 0.3524 0.5095 0.8715 1019 28 0.138 0.5225 0.3534 1020 28 0.362 0.4775 0.8534 1021 29 0.154 0.498 0.3995 1022 29 0.346 0.502 0.8995 1023 30 0.0573 0.2637 0.071 1024 30 0.4427 0.7363 0.571 1025 31 0.0915 0.269 0.1466 1026 31 0.4085 0.731 0.6466 1027 32 0.968 0.3259 0.1605 1028 32 0.532 0.6741 0.6605 1029 33 0.9861 0.1921 0.0701 1030 33 0.5139 0.8079 0.5701 1031 34 0.9815 0.1602 0.1464 1032 34 0.5185 0.8398 0.6464 1033 35 0.9231 0.2832 0.1611 1034 35 0.5769 0.7168 0.6611 1035 1 0.2632 0.2117 0.1317 1036 1 0.2368 0.7883 0.6317 1037 2 0.3432 0.1058 0.2622 1038 2 0.1568 0.8942 0.7622 1039 3 0.3807 0.3563 0.2244 1040 3 0.1193 0.6437 0.7244 1041 6 0.3974 0.1025 0.1472 1042 6 0.1026 0.8975 0.6472 1043 9 0.199 0.19 0.1073 1044 9 0.301 0.81 0.6073 1045 10 0.3043 0.2553 0.0983 1046 10 0.1957 0.7447 0.5983 1047 11 0.3018 0.1487 0.1456 1048 11 0.1982 0.8513 0.6456 1049 12 0.2462 0.2526 0.1764 1050 12 0.2538 0.7474 0.6764 1051 13 0.3889 0.1027 0.3049 1052 13 0.1111 0.8973 0.8049 1053 14 0.3771 0.0731 0.2198 1054 14 0.1229 0.9269 0.7198 1055 15 0.2782 0.0689 0.2748 1056 15 0.2218 0.9311 0.7748 1057 16 0.327 0.1795 0.2503 1058 16 0.173 0.8205 0.7503 1059 17 0.448 0.3385 0.2458 1060 17 0.052 0.6615 0.7458 1061 18 0.3789 0.3305 0.1737 1062 18 0.1211 0.6695 0.6737 1063 19 0.3714 0.4325 0.2256 1064 19 0.1286 0.5675 0.7256 1065 20 0.3239 0.3235 0.2533 1066 20 0.1761 0.6765 0.7533 1067 21 0.4474 0.1903 0.171 1068 21 0.0526 0.8097 0.671 1069 22 0.4277 0.2244 0.1708 1070 22 0.0723 0.7756 0.6708 1071 23 0.4757 0.1816 0.1913 1072 23 0.0243 0.8184 0.6913 1073 24 0.2932 0.0493 0.9308 1074 24 0.2068 0.9507 0.4308 1075 25 0.2967 0.0889 0.9216 1076 25 0.2033 0.9111 0.4216 1077 26 0.3188 0.0183 0.9244 1078 26 0.1812 0.9817 0.4244 1079 27 0.3524 0.0095 0.1285 1080 27 0.1476 0.9905 0.6285 1081 28 0.362 0.9775 0.1466 1082 28 0.138 0.0225 0.6466 1083 29 0.346 0.002 0.1005 1084 29 0.154 0.998 0.6005 1085 30 0.4427 0.2363 0.429 1086 30 0.0573 0.7637 0.929 1087 31 0.4085 0.231 0.3534 1088 31 0.0915 0.769 0.8534 1089 32 0.532 0.1741 0.3395 1090 32 0.968 0.8259 0.8395 1091 33 0.5139 0.3079 0.4299 1092 33 0.9861 0.6921 0.9299 1093 34 0.5185 0.3398 0.3536 1094 34 0.9815 0.6602 0.8536 1095 35 0.5769 0.2168 0.3389 1096 35 0.9231 0.7832 0.8389 X-ray density (g/cm cub.) = 2.54 MU (1/cm) = 143.551 Mass attenuation coefficient (cm**2/g) = 56.47 Selected interatomic distances (cation-anion,anion-anion): NoP Atom Rad.sph. C.N. Distance NoP N. (angs.) (angs.) 1 S 2.148 4 1.4618 9 1.4665 10 1.4691 11 1.4848 12 2 S 2.148 4 1.459 13 1.4659 14 1.4759 15 1.4838 16 3 S 2.148 4 1.4605 17 1.4652 18 1.4739 19 1.4843 20 4 Fe 2.76 6 2.0053 12 2.0053 16 2.0042 20 2.0053 12 2.0053 16 2.0042 20 5 Fe ,Mg 2.76 6 2.0597 24 2.0597 24 2.0357 15 2.0794 19 2.0794 19 2.0357 15 6 Mg ,Fe 2.76 6 2.0403 11 2.0927 14 2.0461 21 2.0496 27 2.0895 10 2.04 18 7 Al 2.484 30 1.854 30 1.8887 31 1.8544 32 1.8819 33 1.8548 34 1.8846 35 1.8942 36 1.8933 37 1.8852 38 1.854 30 1.8887 31 1.8544 32 1.8819 33 1.8548 34 1.8846 35 1.8933 37 1.8852 38 1.854 30 1.8887 31 1.8544 32 1.8819 33 1.8548 34 1.8846 35 1.8942 36 1.854 30 1.8887 31 1.8544 32 1.8819 33 1.8548 34 1.8846 35 8 K 3.396 12 3.2882 9 2.8724 10 3.2882 9 2.8724 10 3.2611 17 2.8684 19 3.2671 13 2.8659 14 3.2611 17 2.8684 19 3.2671 13 2.8659 14 9 O 3.432 11 2.3927 10 2.3702 11 2.4101 12 3.2214 30 2.776 31 2.8116 35 2.5362 37 2.9 24 2.5841 34 2.4719 32 3.2391 35 10 O 3.432 9 2.3927 9 2.4196 11 2.4016 12 2.8918 18 3.3382 18 3.2734 19 2.9438 14 2.8159 21 2.9351 27 11 O 3.432 11 2.3702 9 2.4196 10 2.4139 12 2.8779 14 2.9517 16 2.9901 21 2.883 27 3.362 24 2.9643 24 2.969 18 3.3524 19 12 O 3.432 11 2.4101 9 2.4016 10 2.4139 11 2.9034 16 2.957 18 2.9082 20 2.7669 16 2.7602 20 3.0966 31 3.3504 35 3.1706 27 13 O 3.432 11 2.3958 14 2.3695 15 2.4083 16 2.8207 31 3.2122 32 2.4775 34 2.5527 38 2.9011 27 2.5847 30 3.2401 31 2.7893 33 14 O 3.432 9 2.8779 11 2.3958 13 2.4197 15 2.406 16 2.9413 21 2.8107 27 3.2551 14 3.3286 15 2.9438 10 15 O 3.432 11 2.3695 13 2.4197 14 2.4146 16 2.8746 19 2.9485 20 3.3286 14 2.9726 15 3.3505 27 2.9995 24 2.9833 27 2.8837 24 16 O 3.432 11 2.9517 11 2.9034 12 2.4083 13 2.406 14 2.4146 15 2.7687 20 3.1701 21 3.3618 31 2.7669 12 2.9001 20 3.1106 33 17 O 3.432 11 2.3735 18 2.3932 19 2.4106 20 3.2308 34 2.9135 21 2.5885 32 2.7894 35 3.2545 33 2.5525 36 2.478 30 2.8227 33 18 O 3.432 11 2.8918 10 2.957 12 2.3735 17 2.418 19 2.4125 20 2.9975 21 3.3612 21 3.3382 10 2.969 11 2.8857 21 2.9912 27 19 O 3.432 9 2.3932 17 2.418 18 2.4045 20 2.8746 15 2.9143 19 3.2734 10 3.3524 11 2.937 24 2.8162 24 20 O 3.432 11 2.9082 12 2.7687 16 2.4106 17 2.4125 18 2.4045 19 2.7602 12 2.9485 15 2.9001 16 3.1097 35 3.1603 24 3.3594 33 21 O 3.432 11 2.9901 11 2.9413 14 3.1701 16 2.9975 18 2.9135 17 3.3612 18 3.0568 21 2.8159 10 2.8857 18 3.3082 21 3.3082 21 22 H 1.8 1 0.7556 21 23 H 1.8 1 0.7933 21 24 O 3.432 11 2.9 9 3.362 11 3.3191 27 2.9643 11 2.9995 15 3.3068 27 2.937 19 3.1603 20 2.8162 19 2.8837 15 3.0438 24 25 H 1.8 1 0.8046 24 26 H 1.8 1 0.7907 24 27 O 3.432 11 2.883 11 2.8107 14 3.3191 24 2.9011 13 3.3505 15 2.9833 15 3.3068 24 2.9351 10 3.1706 12 2.9912 18 3.0443 27 28 H 1.8 1 0.8088 27 29 H 1.8 1 0.7848 27 30 H(2)O,H(2)O 3.6 32 2.1607 31 3.2098 32 1.9397 33 3.2059 34 3.5759 35 1.209 36 3.0438 37 3.2599 38 3.2214 9 2.2633 30 3.5763 31 3.0218 32 1.1901 33 2.6263 34 2.6373 35 2.1862 37 1.8318 38 2.5847 13 3.546 17 3.1669 30 1.8844 31 1.0721 32 3.0252 34 1.8655 35 3.5481 36 2.478 17 3.5138 30 2.6472 31 2.6307 32 2.963 33 1.0881 34 2.1755 35 31 H(2)O,H(2)O 3.6 33 2.8207 13 3.3618 16 2.1607 30 2.6393 32 3.2579 33 2.9718 34 3.2699 35 3.0627 36 3.2986 37 3.5749 38 2.776 9 3.0966 12 3.5763 30 3.59 31 2.1848 32 2.6671 33 1.9533 34 1.1132 35 1.8501 37 1.2093 38 3.2401 13 1.8844 30 2.2931 31 1.8617 32 3.0753 33 2.6661 35 2.2204 36 2.6472 30 3.2233 31 3.5802 32 1.1176 33 1.17 34 3.0716 35 32 H(2)O,H(2)O 3.6 32 3.2122 13 3.2098 30 2.6393 31 3.5757 33 3.2164 34 1.1903 35 3.2697 36 1.2141 37 3.0399 38 3.5329 9 2.5885 17 3.0218 30 2.1848 31 3.1643 32 2.6375 33 1.0773 34 2.9609 35 3.5458 37 2.1782 38 2.4719 9 1.0721 30 1.8617 31 3.5119 32 1.871 33 2.6308 34 1.8337 36 2.6307 30 3.5802 31 2.2725 32 2.1629 33 3.0149 34 1.9489 35 33 H(2)O,H(2)O 3.6 33 1.9397 30 3.2579 31 3.5757 32 2.1669 34 3.2644 35 1.2116 36 3.0642 37 1.8489 38 1.1901 30 2.6671 31 2.6375 32 2.2875 33 3.5705 34 3.0654 35 2.2053 37 3.2821 38 3.2545 17 3.0753 31 1.871 32 3.219 33 1.8789 34 1.1022 35 3.5765 36 2.7893 13 3.1106 16 2.8227 17 3.3594 20 2.963 30 1.1176 31 2.1629 32 3.5689 33 2.6369 34 2.6655 35 34 H(2)O,H(2)O 3.6 32 3.2308 17 3.2059 30 2.9718 31 3.2164 32 2.1669 33 2.6457 35 3.0387 36 3.2699 37 1.2035 38 2.4774 13 2.6263 30 1.9533 31 1.0773 32 3.5705 33 3.5222 34 2.1678 35 1.8325 37 3.5412 38 3.0252 30 2.6308 32 1.8789 33 2.2598 34 1.8688 35 2.1961 36 3.5332 13 1.0881 30 1.17 31 3.0149 32 2.6369 33 3.1639 34 3.5745 35 2.5841 9 35 H(2)O,H(2)O 3.6 33 3.5759 30 3.2699 31 1.1903 32 3.2644 33 2.6457 34 3.2951 36 1.214 37 2.2063 38 2.8116 9 3.3504 12 2.7894 17 3.1097 20 2.6373 30 1.1132 31 2.9609 32 3.0654 33 2.1678 34 3.2178 35 3.5776 37 3.0567 38 3.2391 9 1.8655 30 2.6661 31 1.1022 33 1.8688 34 3.5773 35 1.8498 36 2.1755 30 3.0716 31 1.9489 32 2.6655 33 3.5745 34 2.2938 35 36 H(2)O,H(2)O 3.6 32 1.209 30 3.0627 31 3.2697 32 1.2116 33 3.0387 34 3.2951 35 2.6782 37 2.6725 38 1.209 30 3.0627 31 3.2697 32 1.2116 33 3.0387 34 3.2951 35 2.6782 37 2.6725 38 3.5439 13 2.5525 17 3.5481 30 2.2204 31 1.8337 32 3.5765 33 2.1961 34 1.8498 35 3.5439 13 2.5525 17 3.5481 30 2.2204 31 1.8337 32 3.5765 33 2.1961 34 1.8498 35 37 H(2)O,H(2)O 3.6 32 3.0438 30 3.2986 31 1.2141 32 3.0642 33 3.2699 34 1.214 35 2.6782 36 2.6718 38 2.5362 9 3.5506 17 2.1862 30 1.8501 31 3.5458 32 2.2053 33 1.8325 34 3.5776 35 2.6718 38 2.5362 9 3.5506 17 2.1862 30 1.8501 31 3.5458 32 2.2053 33 1.8325 34 3.5776 35 2.6782 36 3.0438 30 3.2986 31 1.2141 32 3.0642 33 3.2699 34 1.214 35 38 H(2)O,H(2)O 3.6 32 3.2599 30 3.5749 31 3.0399 32 1.8489 33 1.2035 34 2.2063 35 2.6725 36 2.6718 37 3.5497 9 2.5527 13 1.8318 30 1.2093 31 2.1782 32 3.2821 33 3.5412 34 3.0567 35 2.6718 37 3.2599 30 3.5749 31 3.0399 32 1.8489 33 1.2035 34 2.2063 35 2.6725 36 2.5527 13 1.8318 30 1.2093 31 2.1782 32 3.2821 33 3.5412 34 3.0567 35 3.5497 9 X-ray diffraction powder data (II), X-Ray W.L. = 1.78892(angs.): No H K L Theta 2*Theta S LPG MF F I int. ( degree ) *100 1 1 1 2 5.339 10.678 0.052 228.04 8 309.2 173.0 2 2 0 0 5.344 10.688 0.052 227.6 4 413.8 154.6 3 2 1 1 6.269 12.537 0.061 164.78 16 27.2 1.9 4 2 0 2 6.546 13.091 0.064 150.95 8 352.5 148.8 5 0 0 4 7.554 15.108 0.073 112.77 2 782.6 137.0 6 2 2 0 7.569 15.137 0.074 112.34 4 600.9 160.9 7 2 1 3 8.245 16.489 0.08 94.32 16 23.2 0.8 8 2 0 4 9.271 18.543 0.09 74.13 8 558.6 183.6 9 3 1 2 9.28 18.56 0.09 73.98 16 463.5 252.2 10 3 2 1 9.851 19.702 0.096 65.41 16 23.7 0.6 11 2 2 4 10.725 21.45 0.104 54.85 8 132.3 7.6 12 4 0 0 10.735 21.47 0.104 54.74 4 11.1 0.0 13 2 1 5 11.218 22.436 0.109 49.95 16 105.6 8.8 14 3 2 3 11.228 22.455 0.109 49.86 16 107.9 9.2 15 4 1 1 11.233 22.465 0.109 49.81 16 89.5 6.3 16 3 1 4 11.385 22.77 0.11 48.43 16 21.7 0.4 17 4 0 2 11.392 22.785 0.11 48.37 8 45.6 0.8 18 1 1 6 11.999 23.999 0.116 43.39 8 172.9 10.3 19 3 3 2 12.018 24.036 0.116 43.25 8 169.7 9.9 20 4 2 0 12.02 24.04 0.116 43.24 8 111.5 4.3 21 4 1 3 12.465 24.929 0.121 40.06 16 45.0 1.3 22 2 0 6 12.596 25.193 0.122 39.19 8 270.3 22.7 23 4 2 2 12.614 25.228 0.122 39.07 16 304.9 57.6 24 4 0 4 13.179 26.357 0.127 35.62 8 410.0 47.5 25 3 2 5 13.588 27.175 0.131 33.39 16 27.7 0.4 26 4 3 1 13.6 27.2 0.131 33.33 16 39.6 0.8 27 3 1 6 14.247 28.495 0.138 30.19 16 270.5 35.1 28 4 2 4 14.257 28.515 0.138 30.15 16 335.9 54.0 29 5 1 2 14.263 28.526 0.138 30.12 16 272.2 35.4 30 2 1 7 14.627 29.254 0.141 28.54 16 605.8 166.2 31 4 1 5 14.639 29.277 0.141 28.5 16 42.0 0.8 32 4 3 3 14.646 29.293 0.141 28.46 16 618.6 172.9 33 5 2 1 14.65 29.3 0.141 28.45 16 603.1 164.2 34 0 0 8 15.244 30.487 0.147 26.13 2 2266.3 266.2 35 4 4 0 15.273 30.547 0.147 26.02 4 2204.2 501.5 36 5 2 3 15.632 31.264 0.151 24.75 16 18.1 0.1 37 4 0 6 15.739 31.478 0.152 24.39 8 87.2 1.5 38 5 1 4 15.748 31.496 0.152 24.36 16 54.7 1.2 39 2 0 8 16.196 32.393 0.156 22.93 8 443.8 35.8 40 3 3 6 16.209 32.417 0.156 22.89 8 47.1 0.4 41 5 3 2 16.223 32.446 0.156 22.85 16 365.7 48.5 42 6 0 0 16.225 32.449 0.156 22.84 4 98.3 0.9 43 3 2 7 16.548 33.095 0.159 21.89 16 358.0 44.5 44 4 3 5 16.558 33.116 0.159 21.86 16 425.2 62.7 45 6 1 1 16.568 33.136 0.159 21.83 16 429.1 63.8 46 4 2 6 16.667 33.333 0.16 21.55 16 55.5 1.1 47 6 0 2 16.68 33.36 0.16 21.51 8 122.2 2.5 48 2 2 8 17.102 34.203 0.164 20.37 8 793.4 101.8 49 4 4 4 17.122 34.244 0.165 20.32 8 914.8 135.0 50 6 2 0 17.129 34.257 0.165 20.31 8 832.5 111.6 51 4 1 7 17.437 34.873 0.168 19.53 16 238.3 17.6 52 5 2 5 17.447 34.893 0.168 19.51 16 302.6 28.3 53 6 1 3 17.453 34.906 0.168 19.49 16 235.9 17.2 54 5 4 1 17.456 34.913 0.168 19.48 16 38.0 0.4 55 3 1 8 17.539 35.078 0.168 19.28 16 28.5 0.2 56 5 3 4 17.559 35.117 0.169 19.24 16 33.9 0.3 57 6 2 2 17.563 35.127 0.169 19.22 16 8.7 0.0 58 5 1 6 17.978 35.956 0.173 18.27 16 260.9 19.7 59 6 0 4 17.986 35.972 0.173 18.25 8 228.4 7.6 60 2 1 9 18.275 36.55 0.175 17.62 16 490.4 67.2 61 5 4 3 18.304 36.607 0.176 17.56 16 552.5 85.1 62 6 3 1 18.307 36.614 0.176 17.55 16 553.2 85.2 63 4 0 8 18.797 37.594 0.18 16.56 8 432.0 24.5 64 6 2 4 18.816 37.631 0.18 16.53 16 341.9 30.7 65 4 3 7 19.106 38.213 0.183 15.98 16 36.8 0.3 66 6 1 5 19.115 38.231 0.183 15.96 16 49.2 0.6 67 6 3 3 19.121 38.243 0.183 15.95 16 41.8 0.4 68 1 1 10 19.584 39.168 0.187 15.13 8 49.9 0.3 69 4 2 8 19.597 39.195 0.187 15.1 16 81.1 1.6 70 5 3 6 19.608 39.216 0.188 15.09 16 130.9 4.1 71 5 5 2 19.62 39.239 0.188 15.06 8 54.2 0.4 72 7 1 2 19.62 39.239 0.188 15.06 16 133.2 4.2 73 6 4 0 19.621 39.242 0.188 15.06 8 74.7 0.7 74 3 2 9 19.884 39.768 0.19 14.62 16 298.1 20.6 75 5 2 7 19.896 39.792 0.19 14.6 16 26.1 0.2 76 5 4 5 19.905 39.81 0.19 14.59 16 309.9 22.2 77 7 2 1 19.914 39.827 0.19 14.58 16 301.8 21.1 78 2 0 10 19.974 39.948 0.191 14.48 8 160.0 2.9 79 6 0 6 19.998 39.995 0.191 14.44 8 688.5 54.3 80 6 4 2 20.009 40.019 0.191 14.42 16 143.8 4.7 81 4 1 9 20.649 41.298 0.197 13.44 16 453.4 43.9 82 6 3 5 20.669 41.338 0.197 13.42 16 453.7 43.8 83 7 2 3 20.675 41.349 0.197 13.41 16 514.3 56.3 84 5 1 8 20.749 41.498 0.198 13.3 16 186.6 7.3 85 6 2 6 20.759 41.518 0.198 13.29 16 142.6 4.3 86 7 1 4 20.766 41.532 0.198 13.28 16 191.3 7.7 87 3 1 10 21.109 42.217 0.201 12.8 16 309.9 19.5 88 6 4 4 21.138 42.276 0.202 12.76 16 323.9 21.2 89 7 3 2 21.142 42.284 0.202 12.75 16 311.5 19.6 90 6 1 7 21.402 42.804 0.204 12.41 16 47.3 0.4 91 6 5 1 21.419 42.838 0.204 12.39 16 43.2 0.4 92 4 4 8 21.85 43.701 0.208 11.84 8 727.8 49.8 93 8 0 0 21.872 43.744 0.208 11.82 4 713.0 23.8 94 2 1 11 22.1 44.199 0.21 11.54 16 82.2 1.2 95 4 3 9 22.113 44.226 0.21 11.53 16 20.0 0.1 96 5 4 7 22.124 44.248 0.211 11.52 16 23.5 0.1 97 7 2 5 22.132 44.264 0.211 11.51 16 21.4 0.1 98 6 5 3 22.137 44.275 0.211 11.5 16 26.4 0.1 99 7 4 1 22.14 44.28 0.211 11.5 16 23.8 0.1 100 8 1 1 22.14 44.28 0.211 11.5 16 44.4 0.4 101 4 0 10 22.196 44.391 0.211 11.43 8 165.8 2.5 102 5 3 8 22.208 44.415 0.211 11.42 16 324.6 19.1 103 7 3 4 22.224 44.448 0.211 11.4 16 187.4 6.4 104 8 0 2 22.228 44.456 0.211 11.4 8 261.9 6.2 105 3 3 10 22.549 45.097 0.214 11.03 8 132.9 1.5 106 6 0 8 22.561 45.121 0.214 11.02 8 28.4 0.1 107 5 5 6 22.57 45.14 0.215 11.01 8 136.0 1.6 108 7 1 6 22.57 45.14 0.215 11.01 16 10.7 0.0 109 8 2 0 22.582 45.164 0.215 11.0 8 141.7 1.8 110 5 2 9 22.817 45.634 0.217 10.74 16 199.1 6.8 111 6 3 7 22.827 45.655 0.217 10.73 16 219.7 8.2 112 7 4 3 22.84 45.681 0.217 10.72 16 32.1 0.2 113 8 1 3 22.84 45.681 0.217 10.72 16 216.2 8.0 114 4 2 10 22.897 45.795 0.217 10.66 16 105.4 1.9 115 6 4 6 22.918 45.837 0.218 10.63 16 64.4 0.7 116 8 2 2 22.929 45.858 0.218 10.62 16 136.7 3.2 117 0 0 12 23.228 46.455 0.22 10.32 2 1247.0 31.8 118 6 2 8 23.254 46.507 0.221 10.29 16 236.4 9.1 119 8 0 4 23.269 46.538 0.221 10.28 8 297.2 7.2 120 6 6 0 23.274 46.549 0.221 10.27 4 1175.2 56.3 121 3 2 11 23.491 46.982 0.223 10.06 16 196.7 6.2 122 6 5 5 23.522 47.044 0.223 10.03 16 208.6 6.9 123 8 3 1 23.53 47.059 0.223 10.02 16 210.6 7.1 124 2 0 12 23.906 47.811 0.227 9.67 8 79.7 0.5 125 5 1 10 23.92 47.839 0.227 9.65 16 83.9 1.1 126 7 3 6 23.94 47.88 0.227 9.63 16 88.1 1.2 127 8 2 4 23.946 47.893 0.227 9.63 16 96.5 1.4 128 7 5 2 23.95 47.9 0.227 9.62 16 154.5 3.6 129 4 1 11 24.164 48.327 0.229 9.43 16 320.3 15.4 130 6 1 9 24.176 48.352 0.229 9.42 16 344.5 17.7 131 7 2 7 24.186 48.372 0.229 9.41 16 332.4 16.5 132 7 4 5 24.194 48.388 0.229 9.41 16 318.5 15.1 133 8 1 5 24.194 48.388 0.229 9.41 16 336.8 16.9 134 8 3 3 24.199 48.398 0.229 9.4 16 252.0 9.5 135 2 2 12 24.57 49.139 0.232 9.08 8 153.1 1.7 136 6 6 4 24.609 49.219 0.233 9.05 8 225.3 3.6 137 8 4 0 24.614 49.229 0.233 9.04 8 218.5 3.4 138 5 4 9 24.835 49.669 0.235 8.86 16 41.1 0.2 139 3 1 12 24.897 49.793 0.235 8.81 16 158.1 3.5 140 7 1 8 24.921 49.842 0.236 8.79 16 263.6 9.7 141 8 0 6 24.93 49.86 0.236 8.79 8 326.9 7.5 142 7 5 4 24.936 49.872 0.236 8.78 16 159.8 3.6 143 8 4 2 24.94 49.879 0.236 8.78 16 197.5 5.4 144 5 3 10 25.234 50.468 0.238 8.55 16 86.3 1.0 145 6 4 8 25.245 50.49 0.238 8.54 16 109.1 1.6 146 9 1 2 25.263 50.526 0.239 8.52 16 88.8 1.1 147 4 3 11 25.468 50.936 0.24 8.37 16 706.6 66.3 148 6 3 9 25.48 50.961 0.24 8.36 16 35.6 0.2 149 6 5 7 25.49 50.98 0.241 8.35 16 704.4 65.8 150 8 3 5 25.497 50.995 0.241 8.35 16 26.3 0.1 151 7 6 1 25.505 51.009 0.241 8.34 16 39.0 0.2 152 9 2 1 25.505 51.009 0.241 8.34 16 648.9 55.7 153 6 0 10 25.554 51.109 0.241 8.3 8 292.2 5.6 154 8 2 6 25.574 51.148 0.241 8.29 16 192.4 4.9 155 4 0 12 25.859 51.718 0.244 8.08 8 490.1 15.4 156 8 4 4 25.897 51.795 0.244 8.06 16 430.6 23.7 157 2 1 13 26.088 52.177 0.246 7.92 16 112.0 1.6 158 5 2 11 26.103 52.205 0.246 7.91 16 115.8 1.7 159 7 4 7 26.124 52.248 0.246 7.9 16 135.3 2.3 160 8 1 7 26.124 52.248 0.246 7.9 16 31.0 0.1 161 7 6 3 26.136 52.272 0.246 7.89 16 117.3 1.7 162 9 2 3 26.136 52.272 0.246 7.89 16 123.8 1.9 163 8 5 1 26.138 52.277 0.246 7.89 16 123.6 1.9 164 6 2 10 26.187 52.375 0.247 7.85 16 225.1 6.3 165 7 3 8 26.198 52.396 0.247 7.85 16 192.5 4.6 166 9 1 4 26.212 52.425 0.247 7.84 16 178.6 4.0 167 4 2 12 26.487 52.974 0.249 7.65 16 368.2 16.5 168 7 5 6 26.519 53.037 0.25 7.63 16 320.6 12.5 169 9 3 2 26.528 53.056 0.25 7.63 16 318.1 12.2 170 7 2 9 26.738 53.476 0.251 7.49 16 19.0 0.0 171 8 5 3 26.759 53.518 0.252 7.48 16 28.2 0.1 172 8 0 8 27.128 54.255 0.255 7.25 8 479.2 13.2 173 3 2 13 27.326 54.653 0.257 7.13 16 44.7 0.2 174 6 1 11 27.34 54.68 0.257 7.12 16 51.6 0.3 175 8 3 7 27.361 54.722 0.257 7.11 16 44.1 0.2 176 7 6 5 27.368 54.736 0.257 7.1 16 112.4 1.4 177 9 2 5 27.368 54.736 0.257 7.1 16 33.0 0.1 178 9 4 1 27.375 54.749 0.257 7.1 16 92.7 1.0 179 5 1 12 27.41 54.819 0.257 7.08 16 129.4 1.9 180 8 4 6 27.441 54.881 0.258 7.06 16 169.9 3.2 181 9 3 4 27.446 54.893 0.258 7.06 16 123.2 1.7 182 1 1 14 27.698 55.395 0.26 6.91 8 401.6 8.8 183 5 5 10 27.725 55.45 0.26 6.9 8 17.8 0.0 184 7 1 10 27.725 55.45 0.26 6.9 16 24.0 0.1 185 8 2 8 27.735 55.471 0.26 6.89 16 17.3 0.0 186 9 1 6 27.743 55.487 0.26 6.89 16 29.9 0.1 187 7 7 2 27.752 55.505 0.26 6.88 8 402.6 8.9 188 8 6 0 27.754 55.507 0.26 6.88 8 425.6 9.9 189 10 0 0 27.754 55.507 0.26 6.88 4 15.5 0.0 190 4 1 13 27.931 55.862 0.262 6.78 16 141.3 2.1 191 5 4 11 27.945 55.89 0.262 6.78 16 151.0 2.5 192 6 5 9 27.956 55.912 0.262 6.77 16 81.7 0.7 193 8 5 5 27.972 55.944 0.262 6.76 16 81.3 0.7 194 9 4 3 27.977 55.953 0.262 6.76 16 146.9 2.3 195 10 1 1 27.979 55.958 0.262 6.76 16 125.8 1.7 196 2 0 14 27.998 55.997 0.262 6.75 8 517.0 14.3 197 6 4 10 28.026 56.051 0.263 6.73 16 76.9 0.6 198 8 6 2 28.053 56.106 0.263 6.72 16 542.0 31.3 199 10 0 2 28.053 56.106 0.263 6.72 8 45.9 0.1 200 4 4 12 28.312 56.624 0.265 6.58 8 603.6 19.0 201 6 6 8 28.334 56.669 0.265 6.57 8 566.1 16.7 202 10 2 0 28.352 56.705 0.265 6.56 8 565.3 16.6 203 6 3 11 28.541 57.082 0.267 6.46 16 50.8 0.3 204 7 4 9 28.552 57.104 0.267 6.45 16 16.6 0.0 205 8 1 9 28.552 57.104 0.267 6.45 16 34.4 0.1 206 10 1 3 28.572 57.144 0.267 6.44 16 7.0 0.0 207 5 3 12 28.608 57.217 0.268 6.42 16 272.9 7.6 208 7 5 8 28.631 57.262 0.268 6.41 16 280.7 8.0 209 10 2 2 28.648 57.295 0.268 6.41 16 338.8 11.7 210 3 1 14 28.889 57.777 0.27 6.28 16 57.9 0.3 211 6 0 12 28.903 57.806 0.27 6.28 8 104.5 0.5 212 7 3 10 28.915 57.83 0.27 6.27 16 66.4 0.4 213 9 3 6 28.933 57.866 0.27 6.26 16 72.0 0.5 214 8 6 4 28.939 57.877 0.27 6.26 16 77.5 0.6 215 10 0 4 28.939 57.877 0.27 6.26 8 65.5 0.2 216 9 5 2 28.942 57.884 0.271 6.26 16 55.6 0.3 217 4 3 13 29.116 58.232 0.272 6.17 16 40.5 0.2 218 7 6 7 29.149 58.298 0.272 6.16 16 120.8 1.4 219 9 2 7 29.149 58.298 0.272 6.16 16 15.2 0.0 220 9 4 5 29.156 58.311 0.272 6.16 16 36.6 0.1 221 10 3 1 29.162 58.324 0.272 6.15 16 61.1 0.4 222 6 2 12 29.487 58.973 0.275 6.0 16 451.7 19.4 223 8 4 8 29.509 59.017 0.275 5.99 16 470.7 21.1 224 10 2 4 29.522 59.043 0.275 5.99 16 476.8 21.6 225 5 2 13 29.697 59.393 0.277 5.91 16 265.8 6.6 226 7 2 11 29.71 59.42 0.277 5.9 16 103.9 1.0 227 8 3 9 29.721 59.442 0.277 5.9 16 151.2 2.1 228 8 5 7 29.729 59.459 0.277 5.89 16 217.7 4.4 229 10 1 5 29.736 59.472 0.277 5.89 16 136.0 1.7 230 10 3 3 29.74 59.481 0.277 5.89 16 235.8 5.2 231 8 7 1 29.743 59.485 0.277 5.89 16 29.7 0.1 232 4 0 14 29.761 59.523 0.277 5.88 8 84.2 0.3 233 8 0 10 29.788 59.575 0.278 5.87 8 219.2 2.2 234 9 1 8 29.797 59.595 0.278 5.86 16 163.0 2.5 235 9 5 4 29.811 59.621 0.278 5.86 16 69.2 0.4 236 3 3 14 30.049 60.098 0.28 5.75 8 56.9 0.1 237 7 7 6 30.092 60.185 0.28 5.73 8 52.3 0.1 238 10 4 0 30.102 60.204 0.28 5.73 8 71.2 0.2 239 2 1 15 30.256 60.511 0.282 5.67 16 436.3 17.1 240 8 7 3 30.314 60.628 0.282 5.64 16 443.2 17.6 241 9 6 1 30.316 60.632 0.282 5.64 16 452.4 18.3 242 4 2 14 30.335 60.67 0.282 5.63 16 112.5 1.1 243 8 2 10 30.361 60.721 0.283 5.62 16 230.1 4.7 244 8 6 6 30.378 60.756 0.283 5.61 16 126.7 1.4 245 10 0 6 30.378 60.756 0.283 5.61 8 113.1 0.6 246 10 4 2 30.387 60.773 0.283 5.61 16 46.6 0.2 247 6 1 13 30.838 61.677 0.287 5.43 16 58.9 0.3 248 6 5 11 30.851 61.702 0.287 5.42 16 32.7 0.1 249 9 4 7 30.87 61.741 0.287 5.42 16 5.8 0.0 250 10 3 5 30.877 61.754 0.287 5.41 16 2.8 0.0 251 9 6 3 30.881 61.762 0.287 5.41 16 34.2 0.1 252 7 1 12 30.916 61.831 0.287 5.4 16 156.8 2.1 253 9 3 8 30.937 61.874 0.287 5.39 16 160.5 2.2 254 10 2 6 30.944 61.889 0.287 5.39 16 214.7 3.9 255 5 1 14 31.183 62.366 0.289 5.3 16 237.7 4.7 256 6 4 12 31.197 62.393 0.29 5.29 16 211.4 3.8 257 7 5 10 31.208 62.417 0.29 5.29 16 191.1 3.1 258 9 5 6 31.225 62.451 0.29 5.28 16 248.1 5.2 259 10 4 4 31.231 62.461 0.29 5.28 16 260.8 5.7 260 11 1 2 31.234 62.468 0.29 5.28 16 195.6 3.2 261 3 2 15 31.385 62.77 0.291 5.22 16 16.2 0.0 262 5 4 13 31.4 62.8 0.291 5.22 16 383.8 12.2 263 7 4 11 31.413 62.825 0.291 5.21 16 29.3 0.1 264 8 1 11 31.413 62.825 0.291 5.21 16 251.6 5.2 265 7 6 9 31.423 62.847 0.291 5.21 16 388.6 12.5 266 9 2 9 31.423 62.847 0.291 5.21 16 205.5 3.5 267 10 1 7 31.432 62.864 0.292 5.21 16 227.5 4.3 268 8 7 5 31.438 62.876 0.292 5.2 16 26.2 0.1 269 10 5 1 31.444 62.889 0.292 5.2 16 14.8 0.0 270 11 2 1 31.444 62.889 0.292 5.2 16 343.0 9.7 271 0 0 16 31.725 63.451 0.294 5.1 2 826.4 6.9 272 8 8 0 31.793 63.585 0.295 5.08 4 710.7 10.2 273 4 1 15 31.941 63.883 0.296 5.03 16 100.4 0.8 274 6 3 13 31.956 63.912 0.296 5.02 16 103.4 0.9 275 8 5 9 31.979 63.958 0.296 5.01 16 103.6 0.9 276 9 6 5 31.994 63.988 0.296 5.01 16 29.8 0.1 277 10 5 3 31.998 63.996 0.296 5.01 16 85.0 0.6 278 11 2 3 31.998 63.996 0.296 5.01 16 123.9 1.2 279 7 3 12 32.032 64.063 0.296 5.0 16 183.7 2.7 280 8 4 10 32.043 64.087 0.297 4.99 16 149.5 1.8 281 11 1 4 32.065 64.13 0.297 4.98 16 185.2 2.7 282 2 0 16 32.278 64.556 0.299 4.91 8 154.8 0.9 283 5 3 14 32.294 64.588 0.299 4.91 16 356.3 9.9 284 9 1 10 32.319 64.638 0.299 4.9 16 383.3 11.4 285 8 6 8 32.328 64.657 0.299 4.9 16 382.1 11.3 286 10 0 8 32.328 64.657 0.299 4.9 8 392.1 6.0 287 9 7 2 32.344 64.688 0.299 4.89 16 91.7 0.7 288 11 3 2 32.344 64.688 0.299 4.89 16 358.2 10.0 289 8 3 11 32.519 65.039 0.301 4.83 16 29.0 0.1 290 10 3 7 32.538 65.076 0.301 4.83 16 14.8 0.0 291 6 0 14 32.568 65.137 0.301 4.82 8 583.6 13.0 292 10 4 6 32.61 65.22 0.301 4.81 16 591.5 26.7 293 2 2 16 32.826 65.652 0.303 4.74 8 314.8 3.7 294 8 0 12 32.855 65.71 0.303 4.73 8 80.5 0.2 295 10 2 8 32.876 65.751 0.303 4.72 16 100.7 0.8 296 8 8 4 32.888 65.776 0.304 4.72 8 330.6 4.1 297 10 6 0 32.892 65.784 0.304 4.72 8 395.8 5.9 298 4 3 15 33.038 66.077 0.305 4.67 16 31.1 0.1 299 7 2 13 33.053 66.106 0.305 4.67 16 147.1 1.6 300 9 4 9 33.075 66.151 0.305 4.66 16 162.2 1.9 301 8 7 7 33.084 66.167 0.305 4.66 16 16.4 0.0 302 10 5 5 33.09 66.18 0.305 4.66 16 19.4 0.0 303 11 2 5 33.09 66.18 0.305 4.66 16 148.9 1.6 304 11 4 1 33.096 66.192 0.305 4.66 16 42.2 0.1 305 3 1 16 33.098 66.197 0.305 4.66 16 57.5 0.2 306 6 2 14 33.114 66.227 0.305 4.65 16 36.1 0.1 307 9 5 8 33.148 66.295 0.306 4.64 16 59.9 0.3 308 9 7 4 33.16 66.32 0.306 4.64 16 61.3 0.3 309 11 3 4 33.16 66.32 0.306 4.64 16 64.6 0.3 310 10 6 2 33.163 66.326 0.306 4.64 16 25.8 0.0 311 8 2 12 33.398 66.796 0.308 4.57 16 307.4 6.9 312 9 3 10 33.409 66.819 0.308 4.56 16 294.1 6.3 313 11 1 6 33.426 66.851 0.308 4.56 16 296.4 6.4 314 5 2 15 33.58 67.16 0.309 4.51 16 150.2 1.6 315 10 1 9 33.617 67.233 0.309 4.5 16 7.4 0.0 316 9 6 7 33.625 67.249 0.31 4.5 16 201.3 2.9 317 11 4 3 33.635 67.27 0.31 4.5 16 197.5 2.8 318 4 0 16 33.908 67.816 0.312 4.42 8 1108.0 43.1 319 6 6 12 33.937 67.873 0.312 4.42 8 530.3 9.9 320 10 6 4 33.969 67.938 0.312 4.41 16 1107.5 85.8 321 12 0 0 33.973 67.946 0.312 4.41 4 524.7 4.8 322 6 5 13 34.131 68.262 0.314 4.36 16 30.6 0.1 323 7 6 11 34.143 68.287 0.314 4.36 16 29.6 0.1 324 9 2 11 34.143 68.287 0.314 4.36 16 22.1 0.0 325 9 8 1 34.174 68.347 0.314 4.35 16 27.3 0.1 326 12 1 1 34.174 68.347 0.314 4.35 16 6.5 0.0 327 7 5 12 34.204 68.409 0.314 4.34 16 516.6 18.4 328 12 0 2 34.24 68.48 0.315 4.34 8 581.0 11.6 329 4 2 16 34.443 68.886 0.316 4.28 16 45.9 0.1 330 5 5 14 34.458 68.916 0.316 4.28 8 260.9 2.3 331 7 1 14 34.458 68.916 0.316 4.28 16 86.5 0.5 332 7 7 10 34.482 68.964 0.316 4.27 8 270.3 2.5 333 10 4 8 34.491 68.983 0.317 4.27 16 109.9 0.8 334 9 7 6 34.498 68.997 0.317 4.27 16 1.2 0.0 335 11 3 6 34.498 68.997 0.317 4.27 16 95.6 0.6 336 11 5 2 34.506 69.013 0.317 4.27 16 1.3 0.0 337 12 2 0 34.507 69.015 0.317 4.27 8 271.5 2.5 338 2 1 17 34.634 69.268 0.318 4.23 16 391.0 10.3 339 6 1 15 34.65 69.3 0.318 4.23 16 249.1 4.2 340 7 4 13 34.664 69.329 0.318 4.23 16 206.4 2.9 341 8 1 13 34.664 69.329 0.318 4.23 16 210.6 3.0 342 8 5 11 34.676 69.353 0.318 4.22 16 205.9 2.8 343 10 3 9 34.686 69.373 0.318 4.22 16 193.6 2.5 344 10 5 7 34.694 69.389 0.318 4.22 16 200.9 2.7 345 11 2 7 34.694 69.389 0.318 4.22 16 164.6 1.8 346 11 4 5 34.7 69.401 0.318 4.22 16 183.3 2.2 347 9 8 3 34.704 69.409 0.318 4.22 16 436.9 12.8 348 12 1 3 34.704 69.409 0.318 4.22 16 182.1 2.2 349 10 7 1 34.706 69.413 0.318 4.22 16 420.7 11.8 350 6 4 14 34.724 69.448 0.318 4.21 16 360.1 8.7 351 8 6 10 34.748 69.496 0.319 4.21 16 387.6 10.0 352 10 0 10 34.748 69.496 0.319 4.21 8 136.0 0.6 353 12 2 2 34.772 69.544 0.319 4.2 16 435.0 12.6 354 8 4 12 35.002 70.004 0.321 4.14 16 487.0 15.6 355 12 0 4 35.034 70.068 0.321 4.14 8 477.3 7.5 356 5 4 15 35.18 70.359 0.322 4.1 16 153.6 1.5 357 8 7 9 35.216 70.431 0.322 4.09 16 153.5 1.5 358 10 7 3 35.234 70.467 0.322 4.09 16 16.3 0.0 359 12 3 1 35.236 70.471 0.323 4.09 16 125.5 1.0 360 5 1 16 35.238 70.476 0.323 4.09 16 162.8 1.7 361 9 1 12 35.266 70.532 0.323 4.08 16 318.8 6.6 362 10 2 10 35.277 70.554 0.323 4.08 16 384.8 9.6 363 11 1 8 35.286 70.571 0.323 4.08 16 320.7 6.7 364 10 6 6 35.293 70.585 0.323 4.08 16 134.1 1.2 365 11 5 4 35.298 70.595 0.323 4.07 16 173.3 1.9 366 7 3 14 35.516 71.032 0.325 4.03 16 86.9 0.5 367 9 5 10 35.54 71.08 0.325 4.02 16 86.5 0.5 368 12 2 4 35.561 71.122 0.325 4.02 16 84.6 0.5 369 3 2 17 35.69 71.379 0.326 3.99 16 410.9 10.7 370 6 3 15 35.706 71.411 0.326 3.98 16 254.5 4.1 371 8 3 13 35.72 71.439 0.326 3.98 16 219.6 3.0 372 9 4 11 35.731 71.463 0.326 3.98 16 225.8 3.2 373 9 6 9 35.741 71.483 0.327 3.98 16 256.6 4.2 374 9 8 5 35.755 71.511 0.327 3.97 16 419.6 11.1 375 12 1 5 35.755 71.511 0.327 3.97 16 202.6 2.6 376 12 3 3 35.759 71.518 0.327 3.97 16 220.6 3.1 377 11 6 1 35.761 71.522 0.327 3.97 16 429.0 11.6 378 4 4 16 36.025 72.05 0.329 3.91 8 472.4 6.9 379 8 8 8 36.073 72.145 0.329 3.9 8 397.7 4.9 380 12 4 0 36.088 72.177 0.329 3.9 8 421.9 5.5 381 4 1 17 36.213 72.425 0.33 3.87 16 7.4 0.0 382 10 1 11 36.254 72.508 0.331 3.87 16 17.9 0.0 383 11 4 7 36.272 72.544 0.331 3.86 16 28.5 0.0 384 10 7 5 36.278 72.555 0.331 3.86 16 23.5 0.0 385 11 6 3 36.282 72.563 0.331 3.86 16 68.3 0.3 386 5 3 16 36.286 72.572 0.331 3.86 16 62.8 0.2 387 8 0 14 36.301 72.601 0.331 3.86 8 460.5 6.5 388 9 3 12 36.313 72.627 0.331 3.85 16 263.0 4.2 389 9 7 8 36.333 72.666 0.331 3.85 16 60.2 0.2 390 11 3 8 36.333 72.666 0.331 3.85 16 402.4 9.9 391 12 0 6 36.34 72.68 0.331 3.85 8 330.4 3.3 392 12 4 2 36.348 72.696 0.331 3.85 16 14.8 0.0 393 1 1 18 36.529 73.058 0.333 3.81 8 128.3 0.5 394 6 0 16 36.546 73.092 0.333 3.81 8 158.5 0.8 395 11 5 6 36.6 73.2 0.333 3.8 16 128.6 1.0 396 9 9 2 36.608 73.216 0.333 3.8 8 128.0 0.5 397 10 8 0 36.609 73.218 0.333 3.79 8 176.2 0.9 398 7 2 15 36.748 73.496 0.334 3.77 16 84.4 0.4 399 10 5 9 36.783 73.567 0.335 3.76 16 76.2 0.3 400 11 2 9 36.783 73.567 0.335 3.76 16 11.9 0.0 401 2 0 18 36.789 73.577 0.335 3.76 8 189.0 1.1 402 12 3 5 36.797 73.594 0.335 3.76 16 56.7 0.2 403 8 2 14 36.82 73.64 0.335 3.75 16 272.9 4.4 404 10 4 10 36.844 73.687 0.335 3.75 16 180.5 1.9 405 12 2 6 36.859 73.719 0.335 3.75 16 295.6 5.2 406 10 8 2 36.867 73.734 0.335 3.74 16 185.1 2.0 407 6 2 16 37.064 74.128 0.337 3.71 16 382.9 8.6 408 10 6 8 37.111 74.222 0.337 3.7 16 440.0 11.4 409 12 4 4 37.123 74.245 0.337 3.7 16 403.5 9.6 410 4 3 17 37.25 74.499 0.338 3.67 16 289.6 4.9 411 7 6 13 37.279 74.558 0.339 3.67 16 36.2 0.1 412 9 2 13 37.279 74.558 0.339 3.67 16 186.0 2.0 413 10 3 11 37.291 74.581 0.339 3.67 16 184.2 2.0 414 9 8 7 37.308 74.616 0.339 3.66 16 284.2 4.7 415 12 1 7 37.308 74.616 0.339 3.66 16 200.2 2.3 416 11 6 5 37.314 74.628 0.339 3.66 16 30.0 0.1 417 12 5 1 37.32 74.64 0.339 3.66 16 257.7 3.9 418 3 1 18 37.563 75.126 0.341 3.62 16 244.5 3.4 419 7 5 14 37.594 75.188 0.341 3.61 16 80.0 0.4 420 8 6 12 37.607 75.213 0.341 3.61 16 54.5 0.2 421 10 0 12 37.607 75.213 0.341 3.61 8 47.7 0.1 422 11 1 10 37.617 75.235 0.341 3.61 16 48.5 0.1 423 10 8 4 37.638 75.276 0.341 3.61 16 290.1 4.8 424 11 7 2 37.641 75.281 0.341 3.6 16 253.9 3.7 425 13 1 2 37.641 75.281 0.341 3.6 16 76.8 0.3 426 5 2 17 37.764 75.528 0.342 3.58 16 239.7 3.3 427 6 5 15 37.78 75.559 0.342 3.58 16 315.5 5.7 428 8 5 13 37.793 75.586 0.343 3.58 16 19.6 0.0 429 8 7 11 37.805 75.61 0.343 3.58 16 307.3 5.4 430 10 7 7 37.822 75.645 0.343 3.57 16 226.1 2.9 431 12 5 3 37.832 75.664 0.343 3.57 16 215.3 2.6 432 13 2 1 37.834 75.668 0.343 3.57 16 303.3 5.2 433 10 2 12 38.119 76.239 0.345 3.52 16 696.1 27.1 434 12 0 8 38.139 76.278 0.345 3.52 8 689.8 13.3 435 7 4 15 38.292 76.583 0.346 3.5 16 165.7 1.5 436 8 1 15 38.292 76.583 0.346 3.5 16 193.6 2.1 437 9 6 11 38.317 76.633 0.347 3.49 16 160.8 1.4 438 11 4 9 38.326 76.653 0.347 3.49 16 195.2 2.1 439 4 0 18 38.332 76.663 0.347 3.49 8 78.5 0.2 440 12 3 7 38.334 76.668 0.347 3.49 16 169.2 1.6 441 13 2 3 38.344 76.688 0.347 3.49 16 205.9 2.3 442 7 1 16 38.348 76.696 0.347 3.49 16 277.7 4.3 443 8 4 14 38.362 76.725 0.347 3.49 16 172.3 1.6 444 9 5 12 38.375 76.75 0.347 3.48 16 135.9 1.0 445 11 5 8 38.394 76.789 0.347 3.48 16 270.9 4.1 446 12 4 6 38.401 76.802 0.347 3.48 16 326.3 5.9 447 11 7 4 38.406 76.812 0.347 3.48 16 95.5 0.5 448 13 1 4 38.406 76.812 0.347 3.48 16 136.8 1.0 449 3 3 18 38.587 77.173 0.349 3.45 8 391.0 4.2 450 6 4 16 38.603 77.206 0.349 3.45 16 10.8 0.0 451 9 1 14 38.617 77.235 0.349 3.45 16 180.7 1.8 452 9 7 10 38.641 77.281 0.349 3.44 16 7.7 0.0 453 11 3 10 38.641 77.281 0.349 3.44 16 181.0 1.8 454 12 2 8 38.649 77.299 0.349 3.44 16 184.1 1.9 455 9 9 6 38.656 77.312 0.349 3.44 8 400.8 4.4 456 13 3 2 38.664 77.328 0.349 3.44 16 0.9 0.0 457 12 6 0 38.665 77.33 0.349 3.44 8 432.0 5.1 458 6 1 17 38.786 77.572 0.35 3.42 16 574.0 17.9 459 9 4 13 38.815 77.63 0.35 3.42 16 17.9 0.0 460 4 2 18 38.841 77.682 0.351 3.41 16 245.4 3.3 461 11 6 7 38.844 77.688 0.351 3.41 16 574.0 17.8 462 12 5 5 38.85 77.699 0.351 3.41 16 533.9 15.4 463 10 9 1 38.855 77.711 0.351 3.41 16 11.4 0.0 464 10 8 6 38.911 77.821 0.351 3.4 16 215.7 2.5 465 12 6 2 38.918 77.836 0.351 3.4 16 255.9 3.5 466 2 1 19 39.277 78.553 0.354 3.35 16 70.4 0.3 467 5 4 17 39.294 78.588 0.354 3.35 16 54.6 0.2 468 8 3 15 39.309 78.619 0.354 3.35 16 181.3 1.7 469 10 1 13 39.323 78.646 0.354 3.34 16 116.8 0.7 470 10 5 11 39.334 78.669 0.354 3.34 16 192.3 2.0 471 11 2 11 39.334 78.669 0.354 3.34 16 108.9 0.6 472 9 8 9 39.344 78.688 0.354 3.34 16 111.1 0.7 473 12 1 9 39.344 78.688 0.354 3.34 16 96.2 0.5 474 13 2 5 39.357 78.715 0.354 3.34 16 222.5 2.6 475 10 9 3 39.361 78.722 0.355 3.34 16 91.4 0.4 476 11 8 1 39.363 78.726 0.355 3.34 16 103.3 0.6 477 13 4 1 39.363 78.726 0.355 3.34 16 58.9 0.2 478 7 3 16 39.365 78.731 0.355 3.34 16 40.2 0.1 479 10 6 10 39.403 78.805 0.355 3.33 16 70.1 0.3 480 13 3 4 39.423 78.846 0.355 3.33 16 40.2 0.1 481 5 1 18 39.602 79.204 0.356 3.31 16 204.0 2.2 482 9 3 14 39.633 79.266 0.357 3.3 16 338.0 6.0 483 10 4 12 39.645 79.29 0.357 3.3 16 358.4 6.7 484 11 7 6 39.671 79.342 0.357 3.3 16 197.4 2.0 485 13 1 6 39.671 79.342 0.357 3.3 16 342.8 6.1 486 12 6 4 39.676 79.352 0.357 3.3 16 166.3 1.4 487 6 3 17 39.8 79.6 0.358 3.28 16 32.6 0.1 488 10 7 9 39.85 79.7 0.358 3.27 16 69.0 0.2 489 11 8 3 39.867 79.734 0.358 3.27 16 33.1 0.1 490 13 4 3 39.867 79.734 0.358 3.27 16 89.3 0.4 491 8 0 16 40.123 80.247 0.36 3.24 8 249.0 1.6 492 12 4 8 40.169 80.339 0.361 3.23 16 214.6 2.4 493 3 2 19 40.287 80.575 0.361 3.22 16 93.9 0.5 494 10 3 13 40.333 80.666 0.362 3.21 16 20.1 0.0 495 12 3 9 40.354 80.708 0.362 3.21 16 5.0 0.0 496 12 5 7 40.362 80.724 0.362 3.21 16 0.4 0.0 497 10 9 5 40.368 80.735 0.362 3.21 16 89.7 0.4 498 12 7 1 40.373 80.747 0.362 3.21 16 76.8 0.3 499 11 1 12 40.402 80.804 0.362 3.21 16 49.3 0.1 500 12 0 10 40.413 80.825 0.362 3.2 8 4.1 0.0 501 5 3 18 40.611 81.222 0.364 3.18 16 79.8 0.3 502 8 2 16 40.627 81.254 0.364 3.18 16 218.8 2.4 503 7 7 14 40.641 81.283 0.364 3.18 8 78.8 0.2 504 11 5 10 40.664 81.328 0.364 3.18 16 222.9 2.5 505 10 8 8 40.673 81.345 0.364 3.17 16 117.2 0.7 506 13 3 6 40.679 81.359 0.364 3.17 16 223.4 2.5 507 13 5 2 40.687 81.374 0.364 3.17 16 85.7 0.4 508 14 0 0 40.688 81.376 0.364 3.17 4 73.3 0.1 509 4 1 19 40.791 81.581 0.365 3.16 16 199.2 2.0 510 7 2 17 40.808 81.615 0.365 3.16 16 215.5 2.3 511 7 6 15 40.823 81.646 0.365 3.16 16 461.3 10.7 512 9 2 15 40.823 81.646 0.365 3.16 16 164.7 1.4 513 8 7 13 40.836 81.672 0.366 3.16 16 410.4 8.4 514 11 4 11 40.848 81.695 0.366 3.15 16 181.1 1.6 515 11 6 9 40.857 81.714 0.366 3.15 16 256.8 3.3 516 6 0 18 40.862 81.724 0.366 3.15 8 123.0 0.4 517 13 2 7 40.865 81.729 0.366 3.15 16 162.8 1.3 518 11 8 5 40.87 81.741 0.366 3.15 16 208.1 2.2 519 13 4 5 40.87 81.741 0.366 3.15 16 251.3 3.2 520 12 7 3 40.874 81.748 0.366 3.15 16 178.3 1.6 521 14 1 1 40.876 81.752 0.366 3.15 16 455.1 10.4 522 8 6 14 40.893 81.785 0.366 3.15 16 268.5 3.6 523 10 0 14 40.893 81.785 0.366 3.15 8 150.5 0.6 524 12 2 10 40.915 81.831 0.366 3.15 16 251.1 3.1 525 12 6 6 40.931 81.861 0.366 3.15 16 74.1 0.3 526 14 0 2 40.938 81.876 0.366 3.14 8 180.8 0.8 527 0 0 20 41.095 82.19 0.367 3.13 2 235.4 0.3 528 6 6 16 41.129 82.258 0.368 3.12 8 493.0 6.0 529 8 8 12 41.156 82.312 0.368 3.12 8 459.9 5.2 530 10 10 0 41.19 82.38 0.368 3.12 4 221.2 0.6 531 14 2 0 41.19 82.38 0.368 3.12 8 495.4 6.1 532 8 5 15 41.325 82.649 0.369 3.1 16 128.6 0.8 533 9 6 13 41.338 82.676 0.369 3.1 16 182.4 1.6 534 6 2 18 41.364 82.727 0.369 3.1 16 207.0 2.1 535 14 1 3 41.376 82.752 0.369 3.1 16 165.4 1.3 536 7 5 16 41.38 82.76 0.37 3.1 16 206.9 2.1 537 10 2 14 41.394 82.788 0.37 3.1 16 159.8 1.3 538 9 7 12 41.406 82.813 0.37 3.1 16 196.1 1.9 539 11 3 12 41.406 82.813 0.37 3.1 16 112.5 0.6 540 11 7 8 41.425 82.851 0.37 3.09 16 176.5 1.5 541 13 1 8 41.425 82.851 0.37 3.09 16 118.1 0.7 542 13 5 4 41.437 82.873 0.37 3.09 16 170.1 1.4 543 14 2 2 41.44 82.879 0.37 3.09 16 254.3 3.2 544 2 0 20 41.596 83.192 0.371 3.08 8 63.3 0.1 545 9 5 14 41.644 83.289 0.371 3.07 16 56.4 0.2 546 14 0 4 41.687 83.374 0.372 3.07 8 60.9 0.1 547 11 9 2 41.69 83.38 0.372 3.07 16 9.2 0.0 548 4 3 19 41.793 83.586 0.373 3.06 16 224.7 2.5 549 6 5 17 41.81 83.62 0.373 3.06 16 116.2 0.7 550 9 8 11 41.85 83.699 0.373 3.05 16 169.0 1.4 551 12 1 11 41.85 83.699 0.373 3.05 16 13.2 0.0 552 10 9 7 41.867 83.734 0.373 3.05 16 207.4 2.1 553 12 7 5 41.872 83.745 0.373 3.05 16 4.6 0.0 554 13 6 1 41.878 83.756 0.373 3.05 16 159.5 1.2 555 14 3 1 41.878 83.756 0.373 3.05 16 125.7 0.8 556 2 2 20 42.096 84.192 0.375 3.03 8 433.6 4.5 557 8 4 16 42.13 84.26 0.375 3.03 16 669.8 21.5 558 10 6 12 42.157 84.313 0.375 3.02 16 712.0 24.3 559 10 10 4 42.187 84.374 0.375 3.02 8 544.2 7.1 560 14 2 4 42.187 84.374 0.375 3.02 16 675.2 21.9 561 12 8 0 42.191 84.381 0.375 3.02 8 421.0 4.2 562 5 2 19 42.293 84.585 0.376 3.01 16 94.2 0.4 563 7 4 17 42.31 84.619 0.376 3.01 16 98.2 0.5 564 8 1 17 42.31 84.619 0.376 3.01 16 222.4 2.4 565 9 4 15 42.325 84.649 0.376 3.01 16 148.0 1.0 566 10 5 13 42.338 84.676 0.376 3.01 16 185.5 1.6 567 11 2 13 42.338 84.676 0.376 3.01 16 15.7 0.0 568 3 1 20 42.346 84.691 0.377 3.01 16 33.4 0.1 569 10 7 11 42.349 84.699 0.377 3.01 16 55.3 0.1 570 12 5 9 42.359 84.717 0.377 3.01 16 196.8 1.8 571 11 8 7 42.366 84.733 0.377 3.01 16 107.3 0.5 572 13 4 7 42.366 84.733 0.377 3.01 16 219.9 2.3 573 14 1 5 42.372 84.744 0.377 3.01 16 190.2 1.7 574 13 6 3 42.376 84.751 0.377 3.0 16 107.7 0.6 575 14 3 3 42.376 84.751 0.377 3.0 16 60.5 0.2 576 9 1 16 42.38 84.76 0.377 3.0 16 71.0 0.2 577 12 4 10 42.417 84.833 0.377 3.0 16 102.5 0.5 578 13 3 8 42.425 84.85 0.377 3.0 16 71.0 0.2 579 11 9 4 42.436 84.873 0.377 3.0 16 33.2 0.1 580 12 8 2 42.439 84.879 0.377 3.0 16 24.1 0.0 581 5 5 18 42.613 85.226 0.378 2.98 8 137.1 0.4 582 7 1 18 42.613 85.226 0.378 2.98 16 312.1 4.6 583 9 9 10 42.666 85.332 0.379 2.98 8 137.5 0.4 584 12 6 8 42.675 85.349 0.379 2.98 16 350.8 5.8 585 13 5 6 42.681 85.362 0.379 2.98 16 329.4 5.1 586 14 4 0 42.69 85.379 0.379 2.98 8 150.3 0.5 587 10 1 15 42.823 85.647 0.38 2.97 16 194.2 1.8 588 12 3 11 42.848 85.696 0.38 2.97 16 173.0 1.4 589 13 2 9 42.857 85.715 0.38 2.97 16 200.0 1.9 590 6 4 18 42.862 85.725 0.38 2.96 16 98.1 0.5 591 10 4 14 42.893 85.785 0.38 2.96 16 245.4 2.8 592 10 8 10 42.915 85.83 0.381 2.96 16 92.0 0.4 593 14 0 6 42.93 85.861 0.381 2.96 8 258.5 1.6 594 14 4 2 42.938 85.876 0.381 2.96 16 112.4 0.6 595 4 0 20 43.094 86.187 0.382 2.95 8 245.9 1.4 596 12 0 12 43.154 86.308 0.382 2.94 8 617.8 8.9 597 12 8 4 43.184 86.368 0.383 2.94 16 157.5 1.2 598 6 1 19 43.29 86.579 0.383 2.93 16 78.1 0.3 599 8 3 17 43.306 86.613 0.383 2.93 16 216.6 2.2 600 11 6 11 43.346 86.692 0.384 2.93 16 164.2 1.3 601 12 7 7 43.363 86.726 0.384 2.93 16 47.8 0.1 602 13 6 5 43.369 86.737 0.384 2.93 16 74.5 0.3 603 14 3 5 43.369 86.737 0.384 2.93 16 175.3 1.4 604 9 3 16 43.377 86.753 0.384 2.93 16 0.9 0.0 605 11 5 12 43.403 86.806 0.384 2.92 16 0.6 0.0 606 14 2 6 43.428 86.857 0.384 2.92 16 39.2 0.1 607 4 2 20 43.591 87.183 0.385 2.91 16 206.3 2.0 608 7 3 18 43.609 87.219 0.386 2.91 16 97.4 0.4 609 11 1 14 43.639 87.279 0.386 2.91 16 225.9 2.4 610 12 2 12 43.652 87.303 0.386 2.91 16 224.5 2.3 611 11 7 10 43.662 87.324 0.386 2.91 16 101.1 0.5 612 13 1 10 43.662 87.324 0.386 2.91 16 230.9 2.5 613 11 9 6 43.677 87.354 0.386 2.91 16 167.0 1.3 614 14 4 4 43.682 87.364 0.386 2.91 16 94.3 0.4 615 13 7 2 43.685 87.369 0.386 2.9 16 173.2 1.4 616 5 4 19 43.787 87.574 0.387 2.9 16 73.5 0.2 617 10 3 15 43.819 87.638 0.387 2.9 16 179.2 1.5 618 11 4 13 43.832 87.665 0.387 2.9 16 142.5 0.9 619 10 9 9 43.853 87.706 0.387 2.89 16 105.3 0.5 620 14 1 7 43.861 87.721 0.387 2.89 16 195.5 1.8 621 11 10 1 43.872 87.744 0.387 2.89 16 7.4 0.0 622 14 5 1 43.872 87.744 0.387 2.89 16 112.1 0.6 623 2 1 21 44.266 88.531 0.39 2.87 16 75.9 0.3 624 6 3 19 44.284 88.569 0.39 2.87 16 234.0 2.5 625 8 7 15 44.316 88.633 0.391 2.87 16 21.6 0.0 626 5 1 20 44.337 88.675 0.391 2.86 16 91.2 0.4 627 11 8 9 44.35 88.701 0.391 2.86 16 283.3 3.6 628 13 4 9 44.35 88.701 0.391 2.86 16 26.9 0.0 629 8 0 18 44.355 88.711 0.391 2.86 8 450.2 4.6 630 11 10 3 44.367 88.735 0.391 2.86 16 80.2 0.3 631 14 5 3 44.367 88.735 0.391 2.86 16 238.8 2.6 632 12 9 1 44.369 88.738 0.391 2.86 16 92.6 0.4 633 13 5 8 44.416 88.833 0.391 2.86 16 411.8 7.7 634 12 8 6 44.423 88.846 0.391 2.86 16 82.0 0.3 635 13 7 4 44.428 88.856 0.391 2.86 16 95.7 0.4 636 8 6 16 44.62 89.24 0.393 2.85 16 206.4 1.9 637 10 0 16 44.62 89.24 0.393 2.85 8 525.1 6.2 638 9 7 14 44.634 89.268 0.393 2.85 16 193.1 1.7 639 11 3 14 44.634 89.268 0.393 2.85 16 126.2 0.7 640 13 3 10 44.657 89.313 0.393 2.85 16 523.7 12.4 641 14 0 8 44.665 89.33 0.393 2.85 8 127.5 0.4 642 15 1 2 44.679 89.358 0.393 2.84 16 186.7 1.6 643 7 6 17 44.798 89.597 0.394 2.84 16 258.5 3.0 644 9 2 17 44.798 89.597 0.394 2.84 16 127.3 0.7 645 9 6 15 44.813 89.627 0.394 2.84 16 31.0 0.0 646 9 8 13 44.827 89.653 0.394 2.84 16 255.3 2.9 647 12 1 13 44.827 89.653 0.394 2.84 16 5.5 0.0 648 12 5 11 44.838 89.676 0.394 2.84 16 125.9 0.7 649 8 2 18 44.852 89.705 0.394 2.84 16 198.1 1.8 650 13 6 7 44.855 89.71 0.394 2.84 16 36.3 0.1 651 14 3 7 44.855 89.71 0.394 2.84 16 111.1 0.6 652 12 9 3 44.864 89.729 0.394 2.84 16 11.4 0.0 653 15 2 1 44.866 89.732 0.394 2.84 16 247.5 2.8 654 12 6 10 44.905 89.81 0.395 2.83 16 180.7 1.5 655 14 4 6 44.92 89.84 0.395 2.83 16 117.5 0.6 X-ray diffraction powder data (I)...X-Ray wave length = 1.78892 (angs.): No H K L Theta 2*Theta d I int I int.n. I p.h.n. H(Si) ( degree ) (angstrem) *100 *100 1 1 1 2 5.339 10.678 9.61311 327.6 65.0 65.8 5.6 2 2 0 2 6.546 13.091 7.84659 148.8 29.5 29.9 5.6 3 2 2 0 7.569 15.137 6.79105 297.9 59.1 59.7 5.6 4 3 1 2 9.28 18.56 5.54662 435.7 86.4 87.1 5.6 5 2 2 4 10.725 21.45 4.80655 7.6 1.5 1.5 5.6 6 3 2 3 11.228 22.455 4.59383 24.4 4.8 4.9 5.6 7 1 1 6 11.999 23.999 4.30238 24.4 4.8 4.9 5.6 8 4 2 2 12.614 25.228 4.09586 80.3 15.9 16.0 5.6 9 4 0 4 13.179 26.357 3.92329 47.5 9.4 9.4 5.6 10 5 1 2 14.263 28.526 3.63046 124.5 24.7 24.7 5.6 11 4 3 3 14.646 29.293 3.5375 504.1 100.0 100.0 5.6 12 0 0 8 15.244 30.487 3.40197 266.2 52.8 52.8 5.6 13 4 4 0 15.273 30.547 3.39553 501.5 99.5 99.4 5.6 14 5 3 2 16.223 32.446 3.20167 85.6 17.0 16.9 5.6 15 6 1 1 16.568 33.136 3.13673 171.0 33.9 33.8 5.6 16 6 2 0 17.129 34.257 3.03705 348.4 69.1 68.8 5.7 17 5 2 5 17.447 34.893 2.98336 63.6 12.6 12.6 5.7 18 5 1 6 17.978 35.956 2.89796 27.3 5.4 5.4 5.7 19 2 1 9 18.275 36.55 2.8524 67.2 13.3 13.3 5.7 20 6 3 1 18.307 36.614 2.84764 170.3 33.8 33.6 5.7 21 6 2 4 18.816 37.631 2.77331 55.2 10.9 10.9 5.7 22 7 1 2 19.62 39.239 2.66386 10.9 2.2 2.1 5.7 23 5 4 5 19.905 39.81 2.62723 64.1 12.7 12.6 5.7 24 6 0 6 19.998 39.995 2.61553 62.0 12.3 12.2 5.7 25 7 2 3 20.675 41.349 2.53345 143.9 28.6 28.2 5.7 26 7 1 4 20.766 41.532 2.52279 19.3 3.8 3.8 5.7 27 3 1 10 21.109 42.217 2.48366 19.5 3.9 3.8 5.7 28 6 4 4 21.138 42.276 2.48037 40.9 8.1 8.0 5.7 29 4 4 8 21.85 43.701 2.40328 73.6 14.6 14.4 5.7 30 7 3 4 22.224 44.448 2.36488 34.1 6.8 6.7 5.7 31 8 1 3 22.84 45.681 2.30432 23.1 4.6 4.5 5.7 32 0 0 12 23.228 46.455 2.26798 41.0 8.1 8.0 5.7 33 6 6 0 23.274 46.549 2.26368 63.5 12.6 12.4 5.7 34 3 2 11 23.491 46.982 2.24397 6.2 1.2 1.2 5.7 35 8 3 1 23.53 47.059 2.2405 14.0 2.8 2.7 5.7 36 8 2 4 23.946 47.893 2.20375 7.3 1.5 1.4 5.7 37 7 2 7 24.186 48.372 2.18319 91.2 18.1 17.7 5.7 38 6 6 4 24.609 49.219 2.14793 7.1 1.4 1.4 5.7 39 8 0 6 24.93 49.86 2.12205 29.6 5.9 5.8 5.7 40 4 3 11 25.468 50.936 2.08009 132.2 26.2 25.7 5.8 41 9 2 1 25.505 51.009 2.07732 55.7 11.1 10.8 5.8 42 6 0 10 25.554 51.109 2.07354 10.5 2.1 2.0 5.8 43 4 0 12 25.859 51.718 2.05076 15.4 3.1 3.0 5.8 44 8 4 4 25.897 51.795 2.04793 23.7 4.7 4.6 5.8 45 7 4 7 26.124 52.248 2.0314 11.2 2.2 2.2 5.8 46 6 2 10 26.187 52.375 2.02683 14.9 3.0 2.9 5.8 47 4 2 12 26.487 52.974 2.00555 16.5 3.3 3.2 5.8 48 7 5 6 26.519 53.037 2.00331 24.7 4.9 4.8 5.8 49 8 0 8 27.128 54.255 1.96165 13.2 2.6 2.6 5.8 50 1 1 14 27.698 55.395 1.92437 8.9 1.8 1.7 5.8 51 8 6 0 27.754 55.507 1.9208 18.7 3.7 3.6 5.8 52 5 4 11 27.945 55.89 1.90871 5.3 1.1 1.0 5.8 53 2 0 14 27.998 55.997 1.90535 18.3 3.6 3.5 5.8 54 8 6 2 28.053 56.106 1.90195 31.4 6.2 6.1 5.8 55 4 4 12 28.312 56.624 1.88597 35.7 7.1 6.9 5.8 56 10 2 0 28.352 56.705 1.8835 16.6 3.3 3.2 5.8 57 7 5 8 28.631 57.262 1.86671 27.3 5.4 5.3 5.8 58 8 4 8 29.509 59.017 1.81597 62.1 12.3 11.9 5.8 59 5 2 13 29.697 59.393 1.8055 9.8 1.9 1.9 5.8 60 10 3 3 29.74 59.481 1.80309 11.4 2.3 2.2 5.8 61 9 1 8 29.797 59.595 1.79995 5.2 1.0 1.0 5.8 62 2 1 15 30.256 60.511 1.77522 17.1 3.4 3.3 5.8 63 9 6 1 30.316 60.632 1.77201 37.0 7.3 7.1 5.8 64 8 2 10 30.361 60.721 1.76966 6.9 1.4 1.3 5.8 65 10 2 6 30.944 61.889 1.7395 8.3 1.6 1.6 5.8 66 5 1 14 31.183 62.366 1.72752 11.6 2.3 2.2 5.8 67 10 4 4 31.231 62.461 1.72514 14.1 2.8 2.7 5.8 68 7 6 9 31.423 62.847 1.71564 47.5 9.4 9.1 5.9 69 0 0 16 31.725 63.451 1.70099 6.9 1.4 1.3 5.9 70 8 8 0 31.793 63.585 1.69776 10.2 2.0 1.9 5.9 71 8 6 8 32.328 64.657 1.67261 49.2 9.8 9.4 5.9 72 6 0 14 32.568 65.137 1.66162 13.0 2.6 2.5 5.9 73 10 4 6 32.61 65.22 1.65974 26.7 5.3 5.1 5.9 74 10 6 0 32.892 65.784 1.64707 10.0 2.0 1.9 5.9 75 9 4 9 33.075 66.151 1.63898 5.7 1.1 1.1 5.9 76 8 2 12 33.398 66.796 1.62496 19.5 3.9 3.7 5.9 77 9 6 7 33.625 67.249 1.61527 5.7 1.1 1.1 5.9 78 4 0 16 33.908 67.816 1.60337 52.9 10.5 10.0 5.9 79 10 6 4 33.969 67.938 1.60083 90.6 18.0 17.1 5.9 80 7 5 12 34.204 68.409 1.59115 18.4 3.6 3.5 5.9 81 12 0 2 34.24 68.48 1.58971 11.6 2.3 2.2 5.9 82 7 7 10 34.482 68.964 1.5799 7.8 1.5 1.5 5.9 83 2 1 17 34.634 69.268 1.57383 14.4 2.9 2.7 5.9 84 8 1 13 34.664 69.329 1.57263 11.2 2.2 2.1 5.9 85 6 4 14 34.724 69.448 1.57027 42.3 8.4 8.0 5.9 86 12 2 2 34.772 69.544 1.56837 23.3 4.6 4.4 5.9 87 8 4 12 35.002 70.004 1.55937 15.6 3.1 2.9 5.9 88 12 0 4 35.034 70.068 1.55813 7.5 1.5 1.4 5.9 89 11 1 8 35.286 70.571 1.54843 25.9 5.1 4.9 5.9 90 3 2 17 35.69 71.379 1.5332 14.8 2.9 2.8 5.9 91 11 6 1 35.761 71.522 1.53054 38.8 7.7 7.3 5.9 92 4 4 16 36.025 72.05 1.52083 6.9 1.4 1.3 5.9 93 12 4 0 36.088 72.177 1.51853 10.4 2.1 2.0 5.9 94 8 0 14 36.301 72.601 1.51085 10.7 2.1 2.0 6.0 95 11 3 8 36.333 72.666 1.50969 13.2 2.6 2.5 6.0 96 8 2 14 36.82 73.64 1.4925 6.4 1.3 1.2 6.0 97 12 2 6 36.859 73.719 1.49114 7.2 1.4 1.4 6.0 98 6 2 16 37.064 74.128 1.48407 8.6 1.7 1.6 6.0 99 10 6 8 37.111 74.222 1.48246 20.9 4.1 3.9 6.0 100 4 3 17 37.25 74.499 1.47774 7.0 1.4 1.3 6.0 101 12 5 1 37.32 74.64 1.47537 12.9 2.6 2.4 6.0 102 10 8 4 37.638 75.276 1.46473 8.8 1.8 1.7 6.0 103 8 7 11 37.805 75.61 1.45922 25.0 5.0 4.7 6.0 104 10 2 12 38.119 76.239 1.44898 40.4 8.0 7.5 6.0 105 7 1 16 38.348 76.696 1.44167 13.1 2.6 2.4 6.0 106 12 4 6 38.401 76.802 1.43998 11.5 2.3 2.1 6.0 107 12 6 0 38.665 77.33 1.43168 14.9 3.0 2.8 6.0 108 6 1 17 38.786 77.572 1.42791 17.9 3.6 3.3 6.0 109 12 5 5 38.85 77.699 1.42594 36.5 7.2 6.8 6.0 110 12 6 2 38.918 77.836 1.42382 6.0 1.2 1.1 6.0 111 10 5 11 39.334 78.669 1.41117 9.0 1.8 1.7 6.0 112 10 4 12 39.645 79.29 1.4019 22.3 4.4 4.1 6.0 113 13 3 6 40.679 81.359 1.37224 6.1 1.2 1.1 6.1 114 7 6 15 40.823 81.646 1.36826 26.4 5.2 4.9 6.1 115 14 1 1 40.876 81.752 1.36679 29.6 5.9 5.4 6.1 116 6 6 16 41.129 82.258 1.35986 11.3 2.2 2.1 6.1 117 14 2 0 41.19 82.38 1.35821 6.1 1.2 1.1 6.1 118 7 5 16 41.38 82.76 1.35309 14.6 2.9 2.7 6.1 119 10 9 7 41.867 83.734 1.34021 5.5 1.1 1.0 6.1 120 10 6 12 42.157 84.313 1.33271 79.1 15.7 14.5 6.1 121 8 1 17 42.31 84.619 1.3288 5.1 1.0 0.9 6.1 122 13 4 7 42.366 84.733 1.32735 7.4 1.5 1.4 6.1 123 12 6 8 42.675 85.349 1.31959 11.5 2.3 2.1 6.1 124 12 0 12 43.154 86.308 1.30776 10.1 2.0 1.8 6.1 125 13 1 10 43.662 87.324 1.29556 10.7 2.1 1.9 6.2 126 8 0 18 44.355 88.711 1.27944 11.6 2.3 2.1 6.2 127 13 5 8 44.416 88.833 1.27804 8.4 1.7 1.5 6.2 128 10 0 16 44.62 89.24 1.27344 10.6 2.1 1.9 6.2 129 13 3 10 44.657 89.313 1.27261 14.3 2.8 2.6 6.2 130 7 6 17 44.798 89.597 1.26943 6.7 1.3 1.2 6.2 131 15 2 1 44.866 89.732 1.26792 5.1 1.0 0.9 6.2 Reference: Chichagov A.V. et al. Information-Calculating System on Crystal Structure Data of Minerals (MINCRYST) - Kristallographiya, v.35, n.3, 1990, p.610-616 (in Russian) |