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 *** *********************** BARRERITE 2, NH(4)-exchanged, syn, f-zeolite, sf-stellerite, ZL, DF (Na,K,Mg,Ca)(2.8)[NH(4)](10.52)Al(15)Si(57)O(144).41[HH](2)O Orthorhombic F mmm Z = 1 R =0.125 NR =763 25 .6 .1901 Ref.Str.: E. Melighinello, A. Albert, G. Gruciani et al. (2000) * Eur. J. Mineral., 1123-1129 Reserv: See U(ij) in the original. [HH]=D. N.A.D. Initial data from BDM-file Lattice parameters (cub. angs.,degr.): a = 13.601 alpha = 90.0 b = 18.232 beta = 90.0 c = 17.81 gamma = 90.0 Unit cell volume (cub. angs.) = 4416.41 Molar volume ( cub.cm/mol.) = 2660.17 Co-ordinates, thermal parameters, occupation for atomic positions: NoP x/a y/b z/c B(j) atom / occupation 1 0.3856 0.3077 0.3761 0.0 Al = 0.22, Si = 0.78 2 0.301 0.4107 0.5 0.0 Al = 0.22, Si = 0.78 3 0.3882 0.184 0.5 0.0 Al = 0.22, Si = 0.78 4 0.25 0.25 0.25 0.0 Al = 0.22, Si = 0.78 5 0.3176 0.3042 0.3013 0.0 O = 1.00 6 0.372 0.2318 0.4256 0.0 O = 1.00 7 0.3563 0.3799 0.4247 0.0 O = 1.00 8 0.5 0.3162 0.3489 0.0 O = 1.00 9 0.3153 0.1138 0.5 0.0 O = 1.00 10 0.3093 0.5 0.5 0.0 O = 1.00 11 0.5 0.1506 0.5 0.0 O = 1.00 12 0.5 0.0 0.291 0.0 Na = 0.03, Mg = 0.02, Ca = 0.04 13 0.461 0.122 0.306 0.0 H(2)O = 0.21, H(2)O = 0.0 14 0.5 0.13 0.307 0.0 H(2)O = 0.25, H(2)O = 0.0 15 0.474 0.0 0.431 0.0 H(2)O = 0.34, H(2)O = 0.0 16 0.405 0.0 0.386 0.0 H(2)O = 0.26, H(2)O = 0.0 17 0.389 0.5 0.319 0.0 H(2)O = 0.19, H(2)O = 0.0 18 0.5 0.5 0.372 0.0 H(2)O = 1.00 19 0.398 0.094 0.316 0.0 H(2)O = 0.15, H(2)O = 0.0 20 0.291 0.058 0.292 0.0 NH(4) = 0.09, NH(4) = 0.0 21 0.5 0.09 0.273 0.0 NH(4) = 0.12, NH(4) = 0.0 22 0.337 0.028 0.234 0.0 NH(4) = 0.11, NH(4) = 0.0 23 0.338 0.068 0.331 0.0 NH(4) = 0.15, NH(4) = 0.0 Co-ordinates for all atomic positions : No NoP x/a y/b z/c 1 1 0.3856 0.3077 0.3761 2 2 0.301 0.4107 0.5 3 3 0.3882 0.184 0.5 4 4 0.25 0.25 0.25 5 5 0.3176 0.3042 0.3013 6 6 0.372 0.2318 0.4256 7 7 0.3563 0.3799 0.4247 8 8 0.5 0.3162 0.3489 9 9 0.3153 0.1138 0.5 10 10 0.3093 0.5 0.5 11 11 0.5 0.1506 0.5 12 12 0.5 0.0 0.291 13 13 0.461 0.122 0.306 14 14 0.5 0.13 0.307 15 15 0.474 0.0 0.431 16 16 0.405 0.0 0.386 17 17 0.389 0.5 0.319 18 18 0.5 0.5 0.372 19 19 0.398 0.094 0.316 20 20 0.291 0.058 0.292 21 21 0.5 0.09 0.273 22 22 0.337 0.028 0.234 23 23 0.338 0.068 0.331 24 1 0.6144 0.6923 0.3761 25 2 0.699 0.5893 0.5 26 3 0.6118 0.816 0.5 27 4 0.75 0.75 0.25 28 5 0.6824 0.6958 0.3013 29 6 0.628 0.7682 0.4256 30 7 0.6437 0.6201 0.4247 31 8 0.5 0.6838 0.3489 32 9 0.6847 0.8862 0.5 33 10 0.6907 0.5 0.5 34 11 0.5 0.8494 0.5 35 13 0.539 0.878 0.306 36 14 0.5 0.87 0.307 37 15 0.526 0.0 0.431 38 16 0.595 0.0 0.386 39 17 0.611 0.5 0.319 40 19 0.602 0.906 0.316 41 20 0.709 0.942 0.292 42 21 0.5 0.91 0.273 43 22 0.663 0.972 0.234 44 23 0.662 0.932 0.331 45 1 0.6144 0.3077 0.3761 46 2 0.699 0.4107 0.5 47 3 0.6118 0.184 0.5 48 4 0.75 0.25 0.25 49 5 0.6824 0.3042 0.3013 50 6 0.628 0.2318 0.4256 51 7 0.6437 0.3799 0.4247 52 9 0.6847 0.1138 0.5 53 13 0.539 0.122 0.306 54 19 0.602 0.094 0.316 55 20 0.709 0.058 0.292 56 22 0.663 0.028 0.234 57 23 0.662 0.068 0.331 58 1 0.3856 0.6923 0.3761 59 2 0.301 0.5893 0.5 60 3 0.3882 0.816 0.5 61 4 0.25 0.75 0.25 62 5 0.3176 0.6958 0.3013 63 6 0.372 0.7682 0.4256 64 7 0.3563 0.6201 0.4247 65 9 0.3153 0.8862 0.5 66 13 0.461 0.878 0.306 67 19 0.398 0.906 0.316 68 20 0.291 0.942 0.292 69 22 0.337 0.972 0.234 70 23 0.338 0.932 0.331 71 1 0.3856 0.3077 0.6239 72 4 0.25 0.25 0.75 73 5 0.3176 0.3042 0.6987 74 6 0.372 0.2318 0.5744 75 7 0.3563 0.3799 0.5753 76 8 0.5 0.3162 0.6511 77 12 0.5 0.0 0.709 78 13 0.461 0.122 0.694 79 14 0.5 0.13 0.693 80 15 0.474 0.0 0.569 81 16 0.405 0.0 0.614 82 17 0.389 0.5 0.681 83 18 0.5 0.5 0.628 84 19 0.398 0.094 0.684 85 20 0.291 0.058 0.708 86 21 0.5 0.09 0.727 87 22 0.337 0.028 0.766 88 23 0.338 0.068 0.669 89 1 0.6144 0.6923 0.6239 90 4 0.75 0.75 0.75 91 5 0.6824 0.6958 0.6987 92 6 0.628 0.7682 0.5744 93 7 0.6437 0.6201 0.5753 94 8 0.5 0.6838 0.6511 95 13 0.539 0.878 0.694 96 14 0.5 0.87 0.693 97 15 0.526 0.0 0.569 98 16 0.595 0.0 0.614 99 17 0.611 0.5 0.681 100 19 0.602 0.906 0.684 101 20 0.709 0.942 0.708 102 21 0.5 0.91 0.727 103 22 0.663 0.972 0.766 104 23 0.662 0.932 0.669 105 1 0.6144 0.3077 0.6239 106 4 0.75 0.25 0.75 107 5 0.6824 0.3042 0.6987 108 6 0.628 0.2318 0.5744 109 7 0.6437 0.3799 0.5753 110 13 0.539 0.122 0.694 111 19 0.602 0.094 0.684 112 20 0.709 0.058 0.708 113 22 0.663 0.028 0.766 114 23 0.662 0.068 0.669 115 1 0.3856 0.6923 0.6239 116 4 0.25 0.75 0.75 117 5 0.3176 0.6958 0.6987 118 6 0.372 0.7682 0.5744 119 7 0.3563 0.6201 0.5753 120 13 0.461 0.878 0.694 121 19 0.398 0.906 0.684 122 20 0.291 0.942 0.708 123 22 0.337 0.972 0.766 124 23 0.338 0.932 0.669 125 1 0.1144 0.1923 0.3761 126 2 0.199 0.0893 0.5 127 3 0.1118 0.316 0.5 128 5 0.1824 0.1958 0.3013 129 6 0.128 0.2682 0.4256 130 7 0.1437 0.1201 0.4247 131 8 0.0 0.1838 0.3489 132 9 0.1847 0.3862 0.5 133 10 0.1907 0.0 0.5 134 11 0.0 0.3494 0.5 135 12 0.0 0.5 0.291 136 13 0.039 0.378 0.306 137 14 0.0 0.37 0.307 138 15 0.026 0.5 0.431 139 16 0.095 0.5 0.386 140 17 0.111 0.0 0.319 141 18 0.0 0.0 0.372 142 19 0.102 0.406 0.316 143 20 0.209 0.442 0.292 144 21 0.0 0.41 0.273 145 22 0.163 0.472 0.234 146 23 0.162 0.432 0.331 147 1 0.8856 0.8077 0.3761 148 2 0.801 0.9107 0.5 149 3 0.8882 0.684 0.5 150 5 0.8176 0.8042 0.3013 151 6 0.872 0.7318 0.4256 152 7 0.8563 0.8799 0.4247 153 8 0.0 0.8162 0.3489 154 9 0.8153 0.6138 0.5 155 10 0.8093 0.0 0.5 156 11 0.0 0.6506 0.5 157 13 0.961 0.622 0.306 158 14 0.0 0.63 0.307 159 15 0.974 0.5 0.431 160 16 0.905 0.5 0.386 161 17 0.889 0.0 0.319 162 19 0.898 0.594 0.316 163 20 0.791 0.558 0.292 164 21 0.0 0.59 0.273 165 22 0.837 0.528 0.234 166 23 0.838 0.568 0.331 167 1 0.8856 0.1923 0.3761 168 2 0.801 0.0893 0.5 169 3 0.8882 0.316 0.5 170 5 0.8176 0.1958 0.3013 171 6 0.872 0.2682 0.4256 172 7 0.8563 0.1201 0.4247 173 9 0.8153 0.3862 0.5 174 13 0.961 0.378 0.306 175 19 0.898 0.406 0.316 176 20 0.791 0.442 0.292 177 22 0.837 0.472 0.234 178 23 0.838 0.432 0.331 179 1 0.1144 0.8077 0.3761 180 2 0.199 0.9107 0.5 181 3 0.1118 0.684 0.5 182 5 0.1824 0.8042 0.3013 183 6 0.128 0.7318 0.4256 184 7 0.1437 0.8799 0.4247 185 9 0.1847 0.6138 0.5 186 13 0.039 0.622 0.306 187 19 0.102 0.594 0.316 188 20 0.209 0.558 0.292 189 22 0.163 0.528 0.234 190 23 0.162 0.568 0.331 191 1 0.1144 0.1923 0.6239 192 5 0.1824 0.1958 0.6987 193 6 0.128 0.2682 0.5744 194 7 0.1437 0.1201 0.5753 195 8 0.0 0.1838 0.6511 196 12 0.0 0.5 0.709 197 13 0.039 0.378 0.694 198 14 0.0 0.37 0.693 199 15 0.026 0.5 0.569 200 16 0.095 0.5 0.614 201 17 0.111 0.0 0.681 202 18 0.0 0.0 0.628 203 19 0.102 0.406 0.684 204 20 0.209 0.442 0.708 205 21 0.0 0.41 0.727 206 22 0.163 0.472 0.766 207 23 0.162 0.432 0.669 208 1 0.8856 0.8077 0.6239 209 5 0.8176 0.8042 0.6987 210 6 0.872 0.7318 0.5744 211 7 0.8563 0.8799 0.5753 212 8 0.0 0.8162 0.6511 213 13 0.961 0.622 0.694 214 14 0.0 0.63 0.693 215 15 0.974 0.5 0.569 216 16 0.905 0.5 0.614 217 17 0.889 0.0 0.681 218 19 0.898 0.594 0.684 219 20 0.791 0.558 0.708 220 21 0.0 0.59 0.727 221 22 0.837 0.528 0.766 222 23 0.838 0.568 0.669 223 1 0.8856 0.1923 0.6239 224 5 0.8176 0.1958 0.6987 225 6 0.872 0.2682 0.5744 226 7 0.8563 0.1201 0.5753 227 13 0.961 0.378 0.694 228 19 0.898 0.406 0.684 229 20 0.791 0.442 0.708 230 22 0.837 0.472 0.766 231 23 0.838 0.432 0.669 232 1 0.1144 0.8077 0.6239 233 5 0.1824 0.8042 0.6987 234 6 0.128 0.7318 0.5744 235 7 0.1437 0.8799 0.5753 236 13 0.039 0.622 0.694 237 19 0.102 0.594 0.684 238 20 0.209 0.558 0.708 239 22 0.163 0.528 0.766 240 23 0.162 0.568 0.669 241 1 0.1144 0.6923 0.8761 242 2 0.199 0.5893 0.0 243 3 0.1118 0.816 0.0 244 5 0.1824 0.6958 0.8013 245 6 0.128 0.7682 0.9256 246 7 0.1437 0.6201 0.9247 247 8 0.0 0.6838 0.8489 248 9 0.1847 0.8862 0.0 249 10 0.1907 0.5 0.0 250 11 0.0 0.8494 0.0 251 12 0.0 0.0 0.791 252 13 0.039 0.878 0.806 253 14 0.0 0.87 0.807 254 15 0.026 0.0 0.931 255 16 0.095 0.0 0.886 256 17 0.111 0.5 0.819 257 18 0.0 0.5 0.872 258 19 0.102 0.906 0.816 259 20 0.209 0.942 0.792 260 21 0.0 0.91 0.773 261 22 0.163 0.972 0.734 262 23 0.162 0.932 0.831 263 1 0.8856 0.3077 0.8761 264 2 0.801 0.4107 0.0 265 3 0.8882 0.184 0.0 266 5 0.8176 0.3042 0.8013 267 6 0.872 0.2318 0.9256 268 7 0.8563 0.3799 0.9247 269 8 0.0 0.3162 0.8489 270 9 0.8153 0.1138 0.0 271 10 0.8093 0.5 0.0 272 11 0.0 0.1506 0.0 273 13 0.961 0.122 0.806 274 14 0.0 0.13 0.807 275 15 0.974 0.0 0.931 276 16 0.905 0.0 0.886 277 17 0.889 0.5 0.819 278 19 0.898 0.094 0.816 279 20 0.791 0.058 0.792 280 21 0.0 0.09 0.773 281 22 0.837 0.028 0.734 282 23 0.838 0.068 0.831 283 1 0.8856 0.6923 0.8761 284 2 0.801 0.5893 0.0 285 3 0.8882 0.816 0.0 286 5 0.8176 0.6958 0.8013 287 6 0.872 0.7682 0.9256 288 7 0.8563 0.6201 0.9247 289 9 0.8153 0.8862 0.0 290 13 0.961 0.878 0.806 291 19 0.898 0.906 0.816 292 20 0.791 0.942 0.792 293 22 0.837 0.972 0.734 294 23 0.838 0.932 0.831 295 1 0.1144 0.3077 0.8761 296 2 0.199 0.4107 0.0 297 3 0.1118 0.184 0.0 298 5 0.1824 0.3042 0.8013 299 6 0.128 0.2318 0.9256 300 7 0.1437 0.3799 0.9247 301 9 0.1847 0.1138 0.0 302 13 0.039 0.122 0.806 303 19 0.102 0.094 0.816 304 20 0.209 0.058 0.792 305 22 0.163 0.028 0.734 306 23 0.162 0.068 0.831 307 1 0.1144 0.6923 0.1239 308 5 0.1824 0.6958 0.1987 309 6 0.128 0.7682 0.0744 310 7 0.1437 0.6201 0.0753 311 8 0.0 0.6838 0.1511 312 12 0.0 0.0 0.209 313 13 0.039 0.878 0.194 314 14 0.0 0.87 0.193 315 15 0.026 0.0 0.069 316 16 0.095 0.0 0.114 317 17 0.111 0.5 0.181 318 18 0.0 0.5 0.128 319 19 0.102 0.906 0.184 320 20 0.209 0.942 0.208 321 21 0.0 0.91 0.227 322 22 0.163 0.972 0.266 323 23 0.162 0.932 0.169 324 1 0.8856 0.3077 0.1239 325 5 0.8176 0.3042 0.1987 326 6 0.872 0.2318 0.0744 327 7 0.8563 0.3799 0.0753 328 8 0.0 0.3162 0.1511 329 13 0.961 0.122 0.194 330 14 0.0 0.13 0.193 331 15 0.974 0.0 0.069 332 16 0.905 0.0 0.114 333 17 0.889 0.5 0.181 334 19 0.898 0.094 0.184 335 20 0.791 0.058 0.208 336 21 0.0 0.09 0.227 337 22 0.837 0.028 0.266 338 23 0.838 0.068 0.169 339 1 0.8856 0.6923 0.1239 340 5 0.8176 0.6958 0.1987 341 6 0.872 0.7682 0.0744 342 7 0.8563 0.6201 0.0753 343 13 0.961 0.878 0.194 344 19 0.898 0.906 0.184 345 20 0.791 0.942 0.208 346 22 0.837 0.972 0.266 347 23 0.838 0.932 0.169 348 1 0.1144 0.3077 0.1239 349 5 0.1824 0.3042 0.1987 350 6 0.128 0.2318 0.0744 351 7 0.1437 0.3799 0.0753 352 13 0.039 0.122 0.194 353 19 0.102 0.094 0.184 354 20 0.209 0.058 0.208 355 22 0.163 0.028 0.266 356 23 0.162 0.068 0.169 357 1 0.3856 0.8077 0.8761 358 2 0.301 0.9107 0.0 359 3 0.3882 0.684 0.0 360 5 0.3176 0.8042 0.8013 361 6 0.372 0.7318 0.9256 362 7 0.3563 0.8799 0.9247 363 8 0.5 0.8162 0.8489 364 9 0.3153 0.6138 0.0 365 10 0.3093 0.0 0.0 366 11 0.5 0.6506 0.0 367 12 0.5 0.5 0.791 368 13 0.461 0.622 0.806 369 14 0.5 0.63 0.807 370 15 0.474 0.5 0.931 371 16 0.405 0.5 0.886 372 17 0.389 0.0 0.819 373 18 0.5 0.0 0.872 374 19 0.398 0.594 0.816 375 20 0.291 0.558 0.792 376 21 0.5 0.59 0.773 377 22 0.337 0.528 0.734 378 23 0.338 0.568 0.831 379 1 0.6144 0.1923 0.8761 380 2 0.699 0.0893 0.0 381 3 0.6118 0.316 0.0 382 5 0.6824 0.1958 0.8013 383 6 0.628 0.2682 0.9256 384 7 0.6437 0.1201 0.9247 385 8 0.5 0.1838 0.8489 386 9 0.6847 0.3862 0.0 387 10 0.6907 0.0 0.0 388 11 0.5 0.3494 0.0 389 13 0.539 0.378 0.806 390 14 0.5 0.37 0.807 391 15 0.526 0.5 0.931 392 16 0.595 0.5 0.886 393 17 0.611 0.0 0.819 394 19 0.602 0.406 0.816 395 20 0.709 0.442 0.792 396 21 0.5 0.41 0.773 397 22 0.663 0.472 0.734 398 23 0.662 0.432 0.831 399 1 0.6144 0.8077 0.8761 400 2 0.699 0.9107 0.0 401 3 0.6118 0.684 0.0 402 5 0.6824 0.8042 0.8013 403 6 0.628 0.7318 0.9256 404 7 0.6437 0.8799 0.9247 405 9 0.6847 0.6138 0.0 406 13 0.539 0.622 0.806 407 19 0.602 0.594 0.816 408 20 0.709 0.558 0.792 409 22 0.663 0.528 0.734 410 23 0.662 0.568 0.831 411 1 0.3856 0.1923 0.8761 412 2 0.301 0.0893 0.0 413 3 0.3882 0.316 0.0 414 5 0.3176 0.1958 0.8013 415 6 0.372 0.2682 0.9256 416 7 0.3563 0.1201 0.9247 417 9 0.3153 0.3862 0.0 418 13 0.461 0.378 0.806 419 19 0.398 0.406 0.816 420 20 0.291 0.442 0.792 421 22 0.337 0.472 0.734 422 23 0.338 0.432 0.831 423 1 0.3856 0.8077 0.1239 424 5 0.3176 0.8042 0.1987 425 6 0.372 0.7318 0.0744 426 7 0.3563 0.8799 0.0753 427 8 0.5 0.8162 0.1511 428 12 0.5 0.5 0.209 429 13 0.461 0.622 0.194 430 14 0.5 0.63 0.193 431 15 0.474 0.5 0.069 432 16 0.405 0.5 0.114 433 17 0.389 0.0 0.181 434 18 0.5 0.0 0.128 435 19 0.398 0.594 0.184 436 20 0.291 0.558 0.208 437 21 0.5 0.59 0.227 438 22 0.337 0.528 0.266 439 23 0.338 0.568 0.169 440 1 0.6144 0.1923 0.1239 441 5 0.6824 0.1958 0.1987 442 6 0.628 0.2682 0.0744 443 7 0.6437 0.1201 0.0753 444 8 0.5 0.1838 0.1511 445 13 0.539 0.378 0.194 446 14 0.5 0.37 0.193 447 15 0.526 0.5 0.069 448 16 0.595 0.5 0.114 449 17 0.611 0.0 0.181 450 19 0.602 0.406 0.184 451 20 0.709 0.442 0.208 452 21 0.5 0.41 0.227 453 22 0.663 0.472 0.266 454 23 0.662 0.432 0.169 455 1 0.6144 0.8077 0.1239 456 5 0.6824 0.8042 0.1987 457 6 0.628 0.7318 0.0744 458 7 0.6437 0.8799 0.0753 459 13 0.539 0.622 0.194 460 19 0.602 0.594 0.184 461 20 0.709 0.558 0.208 462 22 0.663 0.528 0.266 463 23 0.662 0.568 0.169 464 1 0.3856 0.1923 0.1239 465 5 0.3176 0.1958 0.1987 466 6 0.372 0.2682 0.0744 467 7 0.3563 0.1201 0.0753 468 13 0.461 0.378 0.194 469 19 0.398 0.406 0.184 470 20 0.291 0.442 0.208 471 22 0.337 0.472 0.266 472 23 0.338 0.432 0.169 X-ray density (g/cm cub.) = 1.96 MU (1/cm) = 58.076 Mass attenuation coefficient (cm**2/g) = 29.606 Selected interatomic distances (cation-anion,anion-anion): NoP Atom Rad.sph. C.N. Distance NoP N. (angs.) (angs.) 1 Al ,Si 2.484 4 1.623 5 1.6512 6 1.6251 7 1.637 8 2 Al ,Si 2.484 4 1.6369 7 1.632 10 1.6369 7 1.6437 9 3 Al ,Si 2.484 4 1.6012 6 1.619 9 1.638 11 1.6012 6 4 Al ,Si 2.484 4 1.6299 5 1.6299 5 1.6299 5 1.6299 5 5 O 3.432 9 2.6815 6 2.648 7 2.6308 8 2.6995 5 2.5924 5 3.3636 14 2.6917 5 3.0441 13 3.0008 19 6 O 3.432 10 2.6815 5 2.7086 7 2.6953 8 2.6418 9 2.6417 11 3.1639 13 3.3072 14 3.2011 19 2.6501 6 3.3843 6 7 O 3.432 8 2.648 5 2.7086 6 2.6441 8 2.6461 10 2.9217 17 3.0815 18 2.6822 7 2.6942 9 8 O 3.432 10 2.6308 5 2.6953 6 2.6441 7 3.3762 18 2.6308 5 2.6953 6 2.6441 7 3.0268 13 2.9447 14 3.0268 13 9 O 3.432 10 2.6418 6 2.6002 11 3.2364 15 3.1489 16 2.6418 6 3.2364 15 3.1489 16 2.6942 7 2.6789 10 2.6942 7 10 O 3.432 8 2.6461 7 3.401 17 2.6461 7 2.6461 7 3.401 17 2.6461 7 2.6789 9 2.6789 9 11 O 3.432 10 2.6417 6 2.6002 9 3.0289 15 3.0289 15 2.6417 6 2.6002 9 2.6417 6 3.0289 15 3.0289 15 2.6417 6 12 Na ,Mg ,Ca 3.048 17 2.3022 13 2.3872 14 2.5184 15 2.1289 16 2.2494 19 2.3022 13 2.3872 14 2.5184 15 2.1289 16 2.2494 19 2.3022 13 2.2494 19 2.3022 13 2.2494 19 2.4733 17 2.903 18 2.4733 17 13 H(2)O,H(2)O 3.6 13 3.1639 6 3.5343 11 0.5504 14 3.152 15 2.7491 16 1.0132 19 3.2688 15 3.2092 16 1.0609 13 1.9925 19 3.2959 17 3.0268 8 3.0441 5 14 H(2)O,H(2)O 3.6 17 3.3072 6 3.4758 8 3.4578 11 0.5504 13 3.2588 15 3.0441 16 1.5431 19 3.2588 15 3.0441 16 3.3072 6 0.5504 13 1.5431 19 3.5962 17 3.3636 5 2.9447 8 3.5962 17 3.3636 5 15 H(2)O,H(2)O 3.6 20 3.2364 9 3.0289 11 3.152 13 3.2588 14 1.2341 16 2.8637 19 3.0289 11 3.2688 13 3.2588 14 0.7073 15 1.8305 16 3.1879 19 3.2688 13 3.1879 19 3.2364 9 3.152 13 2.8637 19 2.4578 15 3.3917 16 2.5575 15 16 H(2)O,H(2)O 3.6 17 3.1489 9 2.7491 13 3.0441 14 1.2341 15 2.1214 19 3.2092 13 3.0441 14 1.8305 15 2.5842 16 3.4162 19 3.2092 13 3.4162 19 3.1489 9 2.7491 13 2.1214 19 3.3917 15 3.5521 10 17 H(2)O,H(2)O 3.6 11 2.9217 7 3.401 10 1.7805 18 3.0194 17 2.9217 7 3.2959 13 3.5962 14 2.9552 19 3.5962 14 3.2959 13 2.9552 19 18 H(2)O 3.6 10 3.0815 7 3.3762 8 3.4532 10 1.7805 17 3.0815 7 3.3762 8 3.4532 10 1.7805 17 3.0815 7 3.0815 7 19 H(2)O,H(2)O 3.6 14 3.2011 6 3.4835 9 1.0132 13 1.5431 14 2.8637 15 2.1214 16 3.1879 15 3.4162 16 1.9925 13 2.7746 19 3.4276 19 3.4803 5 2.9552 17 3.0008 5 20 NH(4),NH(4) 3.36 11 2.6019 13 3.1424 14 2.515 16 1.6527 19 3.1592 19 2.9191 5 3.2987 7 2.7098 17 3.277 19 2.6083 17 3.0338 5 21 NH(4),NH(4) 3.36 13 0.9835 13 0.9479 14 3.2766 15 2.9004 16 1.5863 19 3.2766 15 2.9004 16 0.9835 13 1.5863 19 2.767 17 3.0597 18 2.7637 8 2.767 17 22 NH(4),NH(4) 3.36 9 2.725 13 3.1723 14 2.9059 16 2.0662 19 2.7872 19 1.2852 17 2.9563 18 3.1344 5 3.2981 7 23 NH(4),NH(4) 3.36 14 3.1388 9 1.9915 13 2.513 14 2.8514 15 1.824 16 0.9808 19 3.3537 15 2.9396 13 3.0759 19 3.1918 5 3.2666 7 3.3339 17 3.0257 17 3.3254 5 X-ray diffraction powder data (II), X-Ray W.L. = 1.54056(angs.): No H K L Theta 2*Theta S LPG MF F I int. ( degree ) *100 1 1 1 1 4.752 9.504 0.054 288.44 8 94.9 106.5 2 0 2 0 4.847 9.694 0.055 277.14 2 674.7 1293.8 3 0 0 2 4.962 9.925 0.056 264.32 2 476.5 615.4 4 2 0 0 6.504 13.007 0.074 152.92 2 168.2 44.3 5 0 2 2 6.945 13.891 0.078 133.82 4 98.9 26.8 6 2 2 0 8.124 16.248 0.092 97.21 4 43.1 3.7 7 2 0 2 8.194 16.387 0.093 95.52 4 72.6 10.3 8 1 3 1 8.361 16.721 0.094 91.65 8 63.3 15.1 9 1 1 3 8.496 16.992 0.096 88.69 8 150.3 82.2 10 2 2 2 9.537 19.074 0.108 69.93 8 293.2 246.6 11 0 4 0 9.729 19.459 0.11 67.11 2 14.7 0.1 12 0 0 4 9.962 19.925 0.112 63.91 2 99.9 6.5 13 3 1 1 10.39 20.779 0.117 58.59 8 252.2 152.9 14 0 4 2 10.944 21.888 0.123 52.59 4 294.2 93.3 15 1 3 3 10.954 21.908 0.123 52.49 8 460.1 455.9 16 0 2 4 11.101 22.201 0.125 51.06 4 193.7 39.3 17 2 4 0 11.738 23.477 0.132 45.44 4 18.9 0.3 18 2 0 4 11.934 23.868 0.134 43.89 4 476.4 204.3 19 3 3 1 12.494 24.988 0.14 39.86 8 84.5 11.7 20 3 1 3 12.587 25.173 0.141 39.25 8 74.5 8.9 21 2 4 2 12.772 25.544 0.143 38.06 8 291.8 132.9 22 1 5 1 12.882 25.763 0.145 37.38 8 10.2 0.2 23 2 2 4 12.908 25.815 0.145 37.22 8 8.1 0.1 24 4 0 0 13.093 26.186 0.147 36.12 2 567.5 119.3 25 1 1 5 13.15 26.3 0.148 35.79 8 211.3 65.6 26 4 2 0 13.992 27.983 0.157 31.38 4 447.6 128.9 27 0 4 4 13.995 27.991 0.157 31.36 4 215.6 29.9 28 4 0 2 14.033 28.067 0.157 31.18 4 395.6 100.1 29 3 3 3 14.39 28.781 0.161 29.55 8 338.9 139.2 30 0 6 0 14.684 29.369 0.165 28.31 2 186.8 10.1 31 1 5 3 14.732 29.464 0.165 28.11 8 576.9 383.7 32 4 2 2 14.88 29.759 0.167 27.52 8 346.4 135.4 33 1 3 5 14.891 29.781 0.167 27.47 8 377.3 160.4 34 0 0 6 15.04 30.081 0.168 26.89 2 255.8 18.0 35 2 4 4 15.489 30.978 0.173 25.25 8 111.4 12.9 36 0 6 2 15.536 31.072 0.174 25.08 4 62.7 2.0 37 0 2 6 15.837 31.675 0.177 24.06 4 149.3 11.0 38 3 5 1 15.933 31.867 0.178 23.75 8 142.5 19.8 39 2 6 0 16.12 32.24 0.18 23.16 4 414.5 81.6 40 3 1 5 16.155 32.31 0.181 23.05 8 73.8 5.2 41 4 4 0 16.417 32.834 0.183 22.27 4 8.4 0.0 42 2 0 6 16.448 32.896 0.184 22.18 4 12.9 0.1 43 4 0 4 16.561 33.122 0.185 21.85 4 347.8 54.2 44 5 1 1 16.831 33.662 0.188 21.09 8 119.9 12.4 45 2 6 2 16.906 33.813 0.189 20.89 8 141.8 17.2 46 2 2 6 17.186 34.373 0.192 20.16 8 254.2 53.4 47 4 4 2 17.192 34.383 0.192 20.14 8 69.0 3.9 48 4 2 4 17.296 34.591 0.193 19.88 8 219.2 39.2 49 3 5 3 17.49 34.98 0.195 19.4 8 250.3 49.8 50 3 3 5 17.627 35.253 0.197 19.07 8 114.6 10.3 51 1 7 1 17.71 35.421 0.197 18.88 8 42.1 1.4 52 0 6 4 17.872 35.745 0.199 18.5 4 287.6 31.4 53 1 5 5 17.912 35.825 0.2 18.41 8 0.8 0.0 54 0 4 6 18.04 36.079 0.201 18.13 4 317.6 37.5 55 1 1 7 18.113 36.225 0.202 17.97 8 57.8 2.5 56 5 3 1 18.255 36.509 0.203 17.66 8 71.4 3.7 57 5 1 3 18.321 36.641 0.204 17.53 8 124.3 11.1 58 2 6 4 19.095 38.19 0.212 16.0 8 85.7 4.8 59 1 7 3 19.14 38.28 0.213 15.91 8 103.5 7.0 60 2 4 6 19.253 38.506 0.214 15.71 8 49.4 1.6 61 4 4 4 19.352 38.704 0.215 15.53 8 31.0 0.6 62 1 3 7 19.455 38.909 0.216 15.35 8 75.0 3.5 63 5 3 3 19.65 39.301 0.218 15.01 8 59.6 2.2 64 0 8 0 19.754 39.509 0.219 14.84 2 101.0 1.6 65 6 0 0 19.865 39.73 0.221 14.65 2 364.8 20.0 66 4 6 0 19.875 39.75 0.221 14.64 4 81.0 2.0 67 3 7 1 20.109 40.217 0.223 14.26 8 69.4 2.8 68 4 0 6 20.149 40.299 0.224 14.2 4 215.5 13.5 69 0 0 8 20.243 40.486 0.225 14.05 2 380.9 20.9 70 3 5 5 20.29 40.581 0.225 13.98 8 114.9 7.6 71 0 8 2 20.419 40.838 0.226 13.78 4 149.1 6.3 72 3 1 7 20.471 40.941 0.227 13.71 8 154.0 13.3 73 6 2 0 20.497 40.993 0.227 13.67 4 137.9 5.3 74 6 0 2 20.527 41.053 0.228 13.62 4 89.5 2.2 75 4 6 2 20.536 41.072 0.228 13.61 8 46.1 1.2 76 4 2 6 20.774 41.548 0.23 13.26 8 46.0 1.2 77 5 5 1 20.85 41.7 0.231 13.16 8 82.1 3.6 78 0 2 8 20.865 41.73 0.231 13.13 4 70.9 1.4 79 2 8 0 20.883 41.766 0.231 13.11 4 46.9 0.6 80 5 1 5 21.026 42.052 0.233 12.91 8 193.4 19.8 81 6 2 2 21.142 42.284 0.234 12.75 8 100.4 5.3 82 0 6 6 21.27 42.54 0.235 12.58 4 259.3 17.3 83 2 0 8 21.35 42.7 0.236 12.48 4 56.4 0.8 84 3 7 3 21.403 42.805 0.237 12.41 8 116.3 6.9 85 2 8 2 21.519 43.038 0.238 12.26 8 105.2 5.6 86 3 3 7 21.69 43.379 0.24 12.04 8 172.4 14.7 87 1 7 5 21.76 43.52 0.241 11.95 8 93.1 4.3 88 1 5 7 21.93 43.861 0.242 11.75 8 221.8 23.7 89 2 2 8 21.947 43.893 0.243 11.73 8 140.9 9.5 90 5 5 3 22.108 44.216 0.244 11.53 8 63.3 1.9 91 5 3 5 22.22 44.441 0.245 11.4 8 345.4 55.8 92 6 4 0 22.303 44.606 0.246 11.31 4 214.1 10.6 93 0 8 4 22.315 44.629 0.246 11.3 4 190.7 8.4 94 2 6 6 22.336 44.672 0.247 11.27 8 100.6 4.7 95 6 0 4 22.415 44.829 0.248 11.18 4 78.5 1.4 96 4 6 4 22.424 44.847 0.248 11.17 8 159.9 11.7 97 4 4 6 22.562 45.125 0.249 11.02 8 134.1 8.1 98 0 4 8 22.648 45.295 0.25 10.92 4 1.3 0.0 99 1 9 1 22.759 45.518 0.251 10.8 8 14.5 0.1 100 6 4 2 22.907 45.815 0.253 10.65 8 77.2 2.6 101 6 2 4 22.989 45.978 0.254 10.56 8 83.3 3.0 102 1 1 9 23.304 46.608 0.257 10.24 8 8.8 0.0 103 2 8 4 23.343 46.685 0.257 10.2 8 36.4 0.6 104 7 1 1 23.642 47.284 0.26 9.91 8 9.7 0.0 105 2 4 8 23.664 47.329 0.261 9.89 8 44.2 0.8 106 3 7 5 23.819 47.638 0.262 9.75 8 81.3 2.6 107 1 9 3 23.937 47.875 0.263 9.64 8 133.9 7.1 108 3 5 7 23.978 47.956 0.264 9.6 8 18.5 0.1 109 4 8 0 24.009 48.019 0.264 9.57 4 267.2 14.0 110 5 7 1 24.313 48.627 0.267 9.3 8 146.9 8.2 111 1 3 9 24.41 48.82 0.268 9.22 8 75.6 2.2 112 4 0 8 24.429 48.858 0.268 9.2 4 1.1 0.0 113 5 5 5 24.47 48.94 0.269 9.17 8 290.0 31.6 114 4 8 2 24.581 49.162 0.27 9.07 8 65.7 1.6 115 5 1 7 24.626 49.251 0.27 9.04 8 157.2 9.2 116 6 4 4 24.65 49.301 0.271 9.01 8 119.8 5.3 117 7 3 1 24.737 49.473 0.272 8.94 8 65.6 1.6 118 3 9 1 24.753 49.507 0.272 8.93 8 66.5 1.6 119 7 1 3 24.788 49.576 0.272 8.9 8 182.3 12.1 120 4 2 8 24.968 49.935 0.274 8.76 8 114.7 4.7 121 0 10 0 24.992 49.984 0.274 8.74 2 675.1 40.8 122 6 6 0 25.084 50.167 0.275 8.66 4 55.7 0.6 123 0 8 6 25.222 50.443 0.277 8.56 4 444.0 34.6 124 3 1 9 25.265 50.531 0.277 8.52 8 92.5 3.0 125 1 7 7 25.277 50.554 0.277 8.51 8 148.3 7.7 126 6 0 6 25.313 50.626 0.278 8.49 4 159.9 4.5 127 4 6 6 25.321 50.642 0.278 8.48 8 103.1 3.7 128 0 6 8 25.399 50.798 0.278 8.42 4 214.1 7.9 129 5 7 3 25.437 50.874 0.279 8.39 8 181.6 11.4 130 0 10 2 25.547 51.094 0.28 8.31 4 166.7 4.7 131 0 0 10 25.626 51.252 0.281 8.25 2 491.8 20.5 132 6 6 2 25.637 51.275 0.281 8.24 8 219.7 16.3 133 5 3 7 25.689 51.378 0.281 8.21 8 187.3 11.8 134 6 2 6 25.838 51.676 0.283 8.1 8 63.6 1.3 135 7 3 3 25.847 51.693 0.283 8.09 8 95.0 3.0 136 3 9 3 25.863 51.725 0.283 8.08 8 25.3 0.2 137 2 10 0 25.939 51.877 0.284 8.03 4 28.8 0.1 138 0 2 10 26.147 52.294 0.286 7.88 4 6.6 0.0 139 2 8 6 26.162 52.325 0.286 7.87 8 37.1 0.4 140 1 9 5 26.173 52.346 0.286 7.86 8 75.5 1.8 141 4 8 4 26.24 52.481 0.287 7.82 8 36.9 0.4 142 3 3 9 26.31 52.619 0.288 7.77 8 91.2 2.7 143 2 6 8 26.335 52.671 0.288 7.75 8 284.6 25.8 144 2 10 2 26.48 52.959 0.289 7.66 8 188.0 11.1 145 1 5 9 26.518 53.036 0.29 7.63 8 88.9 2.5 146 4 4 8 26.536 53.072 0.29 7.62 8 36.0 0.4 147 2 0 10 26.557 53.114 0.29 7.61 4 176.3 4.9 148 7 5 1 26.826 53.652 0.293 7.44 8 3.7 0.0 149 8 0 0 26.941 53.882 0.294 7.36 2 443.4 14.8 150 7 1 5 26.972 53.944 0.294 7.34 8 245.6 18.2 151 2 2 10 27.065 54.13 0.295 7.29 8 63.5 1.2 152 3 7 7 27.133 54.266 0.296 7.25 8 199.0 11.8 153 0 10 4 27.164 54.328 0.296 7.23 4 126.4 2.4 154 6 6 4 27.25 54.501 0.297 7.17 8 27.0 0.2 155 6 4 6 27.371 54.741 0.298 7.1 8 45.8 0.6 156 8 2 0 27.444 54.888 0.299 7.06 4 430.9 26.9 157 8 0 2 27.468 54.936 0.299 7.05 4 53.5 0.4 158 5 7 5 27.584 55.168 0.301 6.98 8 326.0 30.4 159 0 4 10 27.668 55.335 0.301 6.93 4 234.4 7.8 160 5 5 7 27.727 55.454 0.302 6.9 8 147.6 6.2 161 7 5 3 27.877 55.753 0.304 6.81 8 115.2 3.7 162 8 2 2 27.965 55.93 0.304 6.76 8 248.1 17.1 163 7 3 5 27.972 55.943 0.304 6.76 8 135.3 5.1 164 3 9 5 27.987 55.974 0.305 6.75 8 90.1 2.3 165 1 11 1 28.045 56.09 0.305 6.72 8 169.2 7.9 166 2 10 4 28.059 56.118 0.305 6.71 8 201.6 11.2 167 3 5 9 28.317 56.634 0.308 6.58 8 116.2 3.6 168 5 9 1 28.429 56.857 0.309 6.52 8 32.1 0.3 169 2 4 10 28.552 57.104 0.31 6.45 8 72.6 1.4 170 6 8 0 28.638 57.276 0.311 6.41 4 120.2 1.9 171 4 10 0 28.646 57.291 0.311 6.41 4 305.2 12.2 172 1 1 11 28.749 57.497 0.312 6.35 8 114.4 3.4 173 4 8 6 28.855 57.71 0.313 6.3 8 186.8 9.0 174 5 1 9 28.895 57.79 0.314 6.28 8 101.5 2.7 175 8 4 0 28.918 57.837 0.314 6.27 4 200.4 5.2 176 0 8 8 28.926 57.853 0.314 6.27 4 350.8 15.8 177 6 0 8 29.01 58.019 0.315 6.23 4 227.7 6.6 178 8 0 4 29.011 58.022 0.315 6.23 4 404.4 20.9 179 4 6 8 29.017 58.034 0.315 6.22 8 404.2 41.7 180 1 11 3 29.066 58.133 0.315 6.2 8 241.8 14.9 181 6 8 2 29.145 58.29 0.316 6.16 8 332.0 27.9 182 4 10 2 29.152 58.304 0.316 6.16 8 23.3 0.1 183 4 0 10 29.225 58.449 0.317 6.12 4 205.6 5.3 184 1 9 7 29.297 58.593 0.318 6.09 8 99.1 2.5 185 8 4 2 29.422 58.844 0.319 6.03 8 47.8 0.6 186 5 9 3 29.441 58.882 0.319 6.02 8 41.6 0.4 187 1 7 9 29.48 58.96 0.319 6.0 8 157.4 6.1 188 6 2 8 29.489 58.979 0.32 6.0 8 302.3 22.5 189 8 2 4 29.491 58.982 0.32 6.0 8 2.8 0.0 190 4 2 10 29.702 59.405 0.322 5.9 8 205.5 10.2 191 1 3 11 29.709 59.417 0.322 5.9 8 260.7 16.4 192 0 10 6 29.724 59.447 0.322 5.89 4 344.7 14.4 193 7 7 1 29.768 59.535 0.322 5.87 8 141.4 4.8 194 3 11 1 29.782 59.565 0.322 5.87 8 136.8 4.5 195 2 8 8 29.787 59.573 0.322 5.87 8 233.0 13.1 196 6 6 6 29.805 59.611 0.323 5.86 8 56.4 0.8 197 5 3 9 29.852 59.704 0.323 5.84 8 186.3 8.3 198 7 5 5 29.904 59.808 0.324 5.82 8 55.1 0.7 199 7 1 7 30.04 60.08 0.325 5.76 8 113.1 3.0 200 0 6 10 30.087 60.174 0.325 5.74 4 87.5 0.9 201 3 1 11 30.46 60.92 0.329 5.58 8 114.1 3.0 202 0 12 0 30.463 60.926 0.329 5.58 2 41.7 0.1 203 2 10 6 30.57 61.14 0.33 5.54 8 220.3 11.0 204 5 7 7 30.612 61.224 0.331 5.52 8 117.1 3.1 205 6 8 4 30.633 61.267 0.331 5.51 8 54.4 0.7 206 4 10 4 30.641 61.281 0.331 5.51 8 41.1 0.4 207 7 7 3 30.753 61.505 0.332 5.46 8 71.6 1.1 208 3 11 3 30.767 61.534 0.332 5.46 8 28.8 0.2 209 9 1 1 30.883 61.765 0.333 5.41 8 30.5 0.2 210 6 4 8 30.901 61.802 0.333 5.41 8 94.6 2.0 211 8 4 4 30.902 61.805 0.333 5.4 8 52.5 0.6 212 2 6 10 30.927 61.854 0.334 5.4 8 11.1 0.0 213 0 12 2 30.951 61.903 0.334 5.39 4 105.8 1.2 214 7 3 7 30.975 61.951 0.334 5.38 8 3.6 0.0 215 3 9 7 30.99 61.979 0.334 5.37 8 44.8 0.4 216 1 11 5 31.045 62.089 0.335 5.35 8 121.3 3.2 217 4 4 10 31.108 62.216 0.335 5.33 8 122.1 3.3 218 3 7 9 31.167 62.334 0.336 5.3 8 210.8 9.7 219 0 0 12 31.265 62.53 0.337 5.27 2 271.1 4.0 220 8 6 0 31.276 62.553 0.337 5.26 4 203.5 4.5 221 2 12 0 31.298 62.595 0.337 5.26 4 23.0 0.1 222 3 3 11 31.388 62.776 0.338 5.22 8 78.6 1.3 223 5 9 5 31.405 62.81 0.338 5.22 8 109.1 2.5 224 8 0 6 31.475 62.95 0.339 5.19 4 294.2 9.2 225 1 5 11 31.575 63.15 0.34 5.15 8 256.0 13.9 226 5 5 9 31.713 63.426 0.341 5.11 8 86.8 1.6 227 0 2 12 31.724 63.449 0.341 5.1 4 70.4 0.5 228 8 6 2 31.757 63.515 0.342 5.09 8 229.4 11.0 229 2 12 2 31.778 63.557 0.342 5.08 8 13.3 0.0 230 9 3 1 31.803 63.607 0.342 5.07 8 6.4 0.0 231 9 1 3 31.847 63.694 0.343 5.06 8 107.2 2.4 232 8 2 6 31.932 63.865 0.343 5.03 8 15.9 0.1 233 2 0 12 32.088 64.175 0.345 4.98 4 199.8 4.1 234 4 8 8 32.283 64.567 0.347 4.91 8 509.1 52.2 235 0 12 4 32.391 64.781 0.348 4.88 4 240.1 5.8 236 2 2 12 32.54 65.081 0.349 4.83 8 89.7 1.6 237 7 7 5 32.67 65.341 0.35 4.79 8 38.1 0.3 238 3 11 5 32.684 65.369 0.351 4.78 8 8.9 0.0 239 9 3 3 32.753 65.506 0.351 4.76 8 253.1 12.5 240 7 5 7 32.8 65.6 0.352 4.75 8 324.3 20.5 241 6 10 0 32.832 65.665 0.352 4.74 4 139.7 1.9 242 6 8 6 33.026 66.052 0.354 4.68 8 9.5 0.0 243 4 10 6 33.033 66.066 0.354 4.67 8 13.6 0.0 244 0 4 12 33.081 66.161 0.354 4.66 4 152.0 2.2 245 5 11 1 33.088 66.176 0.354 4.66 8 185.3 6.6 246 0 10 8 33.099 66.198 0.354 4.65 4 288.3 7.9 247 1 9 9 33.167 66.335 0.355 4.63 8 88.2 1.5 248 6 6 8 33.176 66.352 0.355 4.63 8 62.8 0.7 249 8 6 4 33.177 66.355 0.355 4.63 8 39.2 0.3 250 2 12 4 33.198 66.396 0.355 4.63 8 158.8 4.8 251 3 5 11 33.2 66.4 0.355 4.62 8 134.8 3.4 252 8 4 6 33.284 66.569 0.356 4.6 8 43.7 0.4 253 0 8 10 33.292 66.583 0.356 4.6 4 157.4 2.3 254 6 10 2 33.301 66.602 0.356 4.6 8 101.9 2.0 255 6 0 10 33.368 66.737 0.357 4.58 4 147.3 2.0 256 4 6 10 33.375 66.751 0.357 4.57 8 112.6 2.4 257 7 9 1 33.437 66.873 0.358 4.56 8 10.0 0.0 258 9 5 1 33.603 67.207 0.359 4.51 8 10.2 0.0 259 1 13 1 33.631 67.261 0.36 4.5 8 196.4 7.1 260 5 1 11 33.728 67.456 0.36 4.47 8 144.2 3.8 261 9 1 5 33.731 67.462 0.36 4.47 8 110.2 2.2 262 4 12 0 33.731 67.462 0.36 4.47 4 251.7 5.8 263 6 2 10 33.812 67.624 0.361 4.45 8 42.8 0.3 264 7 1 9 33.862 67.724 0.362 4.44 8 101.2 1.9 265 2 4 12 33.879 67.759 0.362 4.43 8 3.2 0.0 266 1 11 7 33.885 67.771 0.362 4.43 8 86.4 1.4 267 2 10 8 33.898 67.795 0.362 4.43 8 28.0 0.1 268 5 11 3 34.019 68.038 0.363 4.39 8 241.0 10.5 269 2 8 10 34.088 68.176 0.364 4.38 8 168.2 5.1 270 4 12 2 34.194 68.387 0.365 4.35 8 12.8 0.0 271 5 9 7 34.23 68.46 0.365 4.34 8 37.8 0.3 272 1 7 11 34.266 68.532 0.365 4.33 8 50.6 0.5 273 7 9 3 34.363 68.725 0.366 4.3 8 15.3 0.0 274 5 7 9 34.398 68.797 0.367 4.29 8 38.9 0.3 275 8 8 0 34.42 68.84 0.367 4.29 4 55.8 0.3 276 4 0 12 34.492 68.983 0.368 4.27 4 58.6 0.3 277 10 0 0 34.495 68.991 0.368 4.27 2 427.3 8.0 278 1 1 13 34.518 69.037 0.368 4.26 8 17.5 0.1 279 9 5 3 34.527 69.054 0.368 4.26 8 350.3 21.4 280 1 13 3 34.554 69.109 0.368 4.25 8 245.9 10.6 281 5 3 11 34.609 69.217 0.369 4.24 8 206.9 7.4 282 9 3 5 34.611 69.222 0.369 4.24 8 296.1 15.2 283 6 10 4 34.689 69.377 0.369 4.22 8 153.0 4.1 284 0 12 6 34.718 69.436 0.37 4.21 4 137.8 1.6 285 7 3 9 34.741 69.481 0.37 4.21 8 70.7 0.9 286 3 9 9 34.754 69.508 0.37 4.2 8 40.2 0.3 287 8 0 8 34.756 69.511 0.37 4.2 4 182.3 2.9 288 8 8 2 34.878 69.756 0.371 4.17 8 198.9 6.8 289 4 2 12 34.928 69.857 0.372 4.16 8 130.4 2.9 290 10 2 0 34.932 69.865 0.372 4.16 4 49.6 0.2 291 10 0 2 34.953 69.907 0.372 4.16 4 213.3 3.9 292 6 4 10 35.127 70.255 0.373 4.11 8 9.4 0.0 293 8 2 8 35.191 70.382 0.374 4.1 8 351.3 20.8 294 3 13 1 35.207 70.415 0.374 4.1 8 66.2 0.7 295 0 6 12 35.282 70.563 0.375 4.08 4 328.3 9.0 296 10 2 2 35.388 70.775 0.376 4.05 8 14.2 0.0 297 1 3 13 35.39 70.779 0.376 4.05 8 178.6 5.3 298 7 7 7 35.443 70.887 0.376 4.04 8 78.8 1.0 299 3 11 7 35.457 70.914 0.377 4.04 8 45.8 0.3 300 8 6 6 35.479 70.958 0.377 4.03 8 362.2 21.7 301 2 12 6 35.499 70.999 0.377 4.03 8 35.0 0.2 302 4 12 4 35.565 71.129 0.378 4.01 8 48.1 0.4 303 3 7 11 35.83 71.659 0.38 3.96 8 92.1 1.4 304 5 11 5 35.846 71.691 0.38 3.95 8 473.8 36.4 305 2 6 12 36.058 72.115 0.382 3.91 8 188.2 5.7 306 3 1 13 36.077 72.155 0.382 3.9 8 52.0 0.4 307 3 13 3 36.112 72.225 0.383 3.9 8 345.8 19.1 308 7 9 5 36.182 72.363 0.383 3.88 8 41.5 0.3 309 9 7 1 36.219 72.438 0.384 3.87 8 68.5 0.7 310 4 4 12 36.225 72.451 0.384 3.87 8 55.6 0.5 311 10 4 0 36.229 72.458 0.384 3.87 4 33.3 0.1 312 6 8 8 36.236 72.473 0.384 3.87 8 131.6 2.7 313 8 8 4 36.238 72.475 0.384 3.87 8 131.8 2.8 314 4 10 8 36.243 72.486 0.384 3.87 8 295.2 13.8 315 0 14 0 36.262 72.525 0.384 3.86 2 268.5 2.9 316 10 0 4 36.311 72.623 0.384 3.85 4 51.4 0.2 317 5 5 11 36.34 72.68 0.385 3.85 8 178.4 5.0 318 9 5 5 36.343 72.685 0.385 3.85 8 386.0 23.5 319 1 13 5 36.369 72.738 0.385 3.84 8 296.2 13.8 320 4 8 10 36.428 72.856 0.385 3.83 8 130.8 2.7 321 9 1 7 36.466 72.932 0.386 3.82 8 140.1 3.1 322 7 5 9 36.469 72.939 0.386 3.82 8 145.5 3.3 323 8 4 8 36.484 72.968 0.386 3.82 8 149.1 3.5 324 10 4 2 36.678 73.355 0.388 3.78 8 10.3 0.0 325 0 14 2 36.711 73.421 0.388 3.78 4 45.1 0.2 326 10 2 4 36.739 73.478 0.388 3.77 8 158.6 3.9 327 3 3 13 36.933 73.866 0.39 3.73 8 294.7 13.3 328 6 10 6 36.948 73.895 0.39 3.73 8 24.1 0.1 329 2 14 0 37.03 74.06 0.391 3.71 4 76.4 0.4 330 1 5 13 37.106 74.211 0.392 3.7 8 344.1 18.0 331 9 7 3 37.114 74.228 0.392 3.7 8 41.1 0.3 332 0 10 10 37.201 74.401 0.392 3.68 4 345.4 9.0 333 0 0 14 37.265 74.529 0.393 3.67 2 488.4 9.0 334 6 6 10 37.274 74.548 0.393 3.67 8 133.3 2.7 335 9 3 7 37.318 74.636 0.394 3.66 8 116.9 2.1 336 2 14 2 37.475 74.949 0.395 3.63 8 23.6 0.1 337 1 11 9 37.507 75.013 0.395 3.63 8 32.0 0.2 338 6 12 0 37.613 75.227 0.396 3.61 4 91.7 0.6 339 0 2 14 37.688 75.377 0.397 3.6 4 53.7 0.2 340 1 9 11 37.71 75.419 0.397 3.59 8 68.0 0.7 341 7 11 1 37.762 75.524 0.398 3.58 8 3.5 0.0 342 4 12 6 37.802 75.604 0.398 3.58 8 133.2 2.6 343 5 9 9 37.837 75.674 0.398 3.57 8 25.9 0.1 344 0 12 8 37.865 75.729 0.398 3.57 4 247.5 4.5 345 3 13 5 37.897 75.793 0.399 3.56 8 301.0 13.2 346 2 10 10 37.961 75.922 0.399 3.55 8 270.1 10.6 347 10 4 4 38.011 76.023 0.4 3.54 8 240.1 8.4 348 2 0 14 38.025 76.049 0.4 3.54 4 36.1 0.1 349 0 14 4 38.044 76.088 0.4 3.54 4 79.7 0.5 350 6 12 2 38.056 76.112 0.4 3.53 8 94.9 1.3 351 0 8 12 38.269 76.538 0.402 3.5 4 345.2 8.6 352 5 13 1 38.276 76.551 0.402 3.5 8 207.6 6.2 353 8 10 0 38.279 76.558 0.402 3.5 4 23.4 0.0 354 6 0 12 38.341 76.682 0.403 3.49 4 98.2 0.7 355 4 6 12 38.348 76.695 0.403 3.49 8 52.4 0.4 356 10 6 0 38.351 76.703 0.403 3.49 4 248.6 4.4 357 7 1 11 38.368 76.736 0.403 3.48 8 130.1 2.4 358 2 2 14 38.445 76.891 0.404 3.47 8 133.0 2.5 359 8 8 6 38.46 76.921 0.404 3.47 8 283.2 11.4 360 5 11 7 38.518 77.035 0.404 3.46 8 242.7 8.4 361 10 0 6 38.533 77.066 0.404 3.46 4 493.8 17.3 362 8 6 8 38.601 77.203 0.405 3.45 8 363.5 18.7 363 2 12 8 38.621 77.242 0.405 3.45 8 143.9 2.9 364 3 5 13 38.623 77.246 0.405 3.45 8 364.2 18.7 365 7 11 3 38.644 77.288 0.405 3.44 8 210.4 6.2 366 8 10 2 38.719 77.438 0.406 3.43 8 9.0 0.0 367 11 1 1 38.748 77.497 0.406 3.43 8 19.4 0.1 368 6 2 12 38.761 77.522 0.406 3.42 8 76.8 0.8 369 8 0 10 38.782 77.564 0.407 3.42 4 232.9 3.8 370 10 6 2 38.791 77.582 0.407 3.42 8 81.3 0.9 371 2 14 4 38.799 77.597 0.407 3.42 8 88.2 1.1 372 7 9 7 38.845 77.69 0.407 3.41 8 5.5 0.0 373 5 7 11 38.879 77.759 0.407 3.41 8 285.4 11.4 374 9 7 5 38.882 77.764 0.407 3.41 8 101.4 1.4 375 0 4 14 38.95 77.9 0.408 3.4 4 166.8 1.9 376 10 2 6 38.952 77.904 0.408 3.4 8 89.1 1.1 377 9 5 7 39.002 78.004 0.409 3.39 8 103.1 1.5 378 7 7 9 39.006 78.011 0.409 3.39 8 16.9 0.0 379 3 11 9 39.019 78.037 0.409 3.39 8 125.0 2.2 380 2 8 12 39.022 78.045 0.409 3.39 8 183.4 4.7 381 1 13 7 39.028 78.056 0.409 3.39 8 115.6 1.9 382 5 1 13 39.12 78.24 0.41 3.37 8 141.2 2.8 383 5 13 3 39.154 78.308 0.41 3.37 8 35.7 0.2 384 8 2 10 39.201 78.401 0.41 3.36 8 14.6 0.0 385 7 3 11 39.206 78.412 0.41 3.36 8 69.9 0.7 386 3 9 11 39.219 78.438 0.41 3.36 8 71.8 0.7 387 4 14 0 39.3 78.6 0.411 3.35 4 162.5 1.8 388 6 12 4 39.374 78.747 0.412 3.34 8 90.0 1.1 389 11 3 1 39.584 79.168 0.414 3.31 8 65.4 0.6 390 9 9 1 39.597 79.193 0.414 3.31 8 17.2 0.0 391 1 15 1 39.622 79.245 0.414 3.3 8 158.8 3.4 392 11 1 3 39.624 79.248 0.414 3.3 8 49.7 0.3 393 1 7 13 39.628 79.256 0.414 3.3 8 146.5 2.9 394 2 4 14 39.7 79.399 0.415 3.29 8 148.1 3.0 395 4 14 2 39.737 79.473 0.415 3.29 8 211.2 6.0 396 5 3 13 39.953 79.907 0.417 3.26 8 214.4 6.1 397 9 1 9 39.996 79.991 0.417 3.26 8 13.3 0.0 398 6 4 12 40.012 80.024 0.417 3.25 8 171.3 3.9 399 6 10 8 40.029 80.058 0.417 3.25 8 50.3 0.3 400 8 10 4 40.03 80.061 0.418 3.25 8 393.4 20.6 401 10 6 4 40.102 80.204 0.418 3.24 8 114.8 1.8 402 10 4 6 40.201 80.403 0.419 3.23 8 109.3 1.6 403 6 8 10 40.208 80.417 0.419 3.23 8 139.8 2.6 404 4 10 10 40.215 80.43 0.419 3.23 8 74.7 0.7 405 0 14 6 40.233 80.467 0.419 3.23 4 37.5 0.1 406 4 0 14 40.277 80.555 0.42 3.22 4 171.7 1.9 407 7 11 5 40.391 80.782 0.421 3.21 8 194.7 5.0 408 8 4 10 40.448 80.896 0.421 3.2 8 22.4 0.1 409 11 3 3 40.454 80.909 0.421 3.2 8 169.0 3.7 410 9 9 3 40.467 80.934 0.421 3.2 8 133.4 2.3 411 1 15 3 40.493 80.986 0.422 3.2 8 120.1 1.9 412 3 13 7 40.523 81.046 0.422 3.19 8 309.8 12.6 413 4 2 14 40.692 81.383 0.423 3.17 8 231.0 6.9 414 1 1 15 40.737 81.473 0.424 3.17 8 35.8 0.2 415 9 3 9 40.824 81.649 0.424 3.16 8 30.2 0.1 416 4 12 8 40.864 81.729 0.425 3.15 8 141.3 2.6 417 7 5 11 40.867 81.735 0.425 3.15 8 103.1 1.4 418 5 13 5 40.895 81.791 0.425 3.15 8 283.5 10.4 419 2 14 6 40.977 81.955 0.426 3.14 8 105.7 1.4 420 0 6 14 41.027 82.055 0.426 3.14 4 17.2 0.0 421 4 14 4 41.04 82.079 0.426 3.13 8 0.5 0.0 422 3 15 1 41.112 82.224 0.427 3.13 8 150.2 2.9 423 3 7 13 41.118 82.236 0.427 3.13 8 189.5 4.6 424 11 5 1 41.242 82.483 0.428 3.11 8 155.3 3.1 425 4 8 12 41.26 82.521 0.428 3.11 8 203.6 5.3 426 10 8 0 41.264 82.528 0.428 3.11 4 384.0 9.4 427 11 1 5 41.36 82.721 0.429 3.1 8 57.7 0.4 428 9 7 7 41.492 82.983 0.43 3.09 8 149.2 2.8 429 8 8 8 41.509 83.019 0.43 3.09 8 415.0 21.8 430 6 12 6 41.545 83.09 0.43 3.08 8 108.1 1.5 431 1 3 15 41.562 83.125 0.431 3.08 8 3.3 0.0 432 10 0 8 41.58 83.161 0.431 3.08 4 417.2 11.0 433 5 5 13 41.608 83.216 0.431 3.08 8 190.9 4.6 434 10 8 2 41.696 83.392 0.432 3.07 8 18.9 0.0 435 2 6 14 41.768 83.537 0.432 3.06 8 108.0 1.5 436 0 12 10 41.79 83.58 0.433 3.06 4 15.5 0.0 437 1 11 11 41.873 83.745 0.433 3.05 8 115.6 1.7 438 4 4 14 41.929 83.858 0.434 3.04 8 49.1 0.3 439 3 15 3 41.976 83.952 0.434 3.04 8 124.1 1.9 440 10 2 8 41.992 83.984 0.434 3.04 8 12.4 0.0 441 5 11 9 41.997 83.994 0.434 3.04 8 163.7 3.3 442 0 10 12 42.007 84.014 0.434 3.04 4 160.0 1.6 443 6 6 12 42.078 84.155 0.435 3.03 8 5.9 0.0 444 11 5 3 42.105 84.21 0.435 3.03 8 94.1 1.1 445 11 3 5 42.184 84.367 0.436 3.02 8 40.1 0.2 446 5 9 11 42.194 84.388 0.436 3.02 8 36.1 0.2 447 8 10 6 42.194 84.389 0.436 3.02 8 36.3 0.2 448 9 9 5 42.196 84.393 0.436 3.02 8 155.6 3.0 449 3 1 15 42.218 84.437 0.436 3.02 8 155.1 3.0 450 1 15 5 42.222 84.444 0.436 3.02 8 135.4 2.3 451 10 6 6 42.265 84.53 0.437 3.01 8 58.9 0.4 452 7 9 9 42.318 84.636 0.437 3.01 8 8.8 0.0 453 9 5 9 42.472 84.944 0.438 3.0 8 26.6 0.1 454 1 13 9 42.498 84.995 0.439 2.99 8 34.5 0.1 455 8 6 10 42.51 85.019 0.439 2.99 8 170.5 3.6 456 2 12 10 42.529 85.057 0.439 2.99 8 10.4 0.0 457 0 16 0 42.53 85.061 0.439 2.99 2 515.4 8.1 458 2 10 12 42.745 85.49 0.441 2.97 8 65.5 0.5 459 7 13 1 42.746 85.491 0.441 2.97 8 261.0 8.3 460 12 0 0 42.813 85.626 0.441 2.97 2 206.8 1.3 461 8 12 0 42.838 85.677 0.441 2.97 4 15.4 0.0 462 1 9 13 42.931 85.861 0.442 2.96 8 55.3 0.4 463 0 16 2 42.96 85.921 0.442 2.96 4 64.7 0.3 464 7 11 7 42.982 85.963 0.443 2.96 8 21.1 0.1 465 10 8 4 42.988 85.975 0.443 2.95 8 31.1 0.1 466 6 14 0 43.011 86.023 0.443 2.95 4 101.5 0.6 467 3 3 15 43.039 86.079 0.443 2.95 8 119.4 1.7 468 4 14 6 43.195 86.389 0.444 2.94 8 90.6 1.0 469 1 5 15 43.206 86.412 0.444 2.94 8 6.5 0.0 470 12 2 0 43.223 86.446 0.445 2.94 4 115.0 0.8 471 10 4 8 43.224 86.447 0.445 2.94 8 173.3 3.6 472 12 0 2 43.243 86.486 0.445 2.94 4 287.4 5.0 473 0 14 8 43.255 86.511 0.445 2.93 4 208.4 2.6 474 2 16 0 43.267 86.535 0.445 2.93 4 63.9 0.2 475 8 12 2 43.268 86.536 0.445 2.93 8 175.1 3.7 476 7 7 11 43.335 86.671 0.445 2.93 8 94.3 1.1 477 3 11 11 43.348 86.696 0.446 2.93 8 36.1 0.2 478 6 14 2 43.441 86.882 0.446 2.92 8 7.3 0.0 479 5 13 7 43.481 86.962 0.447 2.92 8 135.5 2.2 480 8 0 12 43.546 87.092 0.447 2.91 4 17.6 0.0 481 7 1 13 43.571 87.142 0.447 2.91 8 60.2 0.4 482 7 13 3 43.605 87.209 0.448 2.91 8 40.6 0.2 483 12 2 2 43.652 87.305 0.448 2.91 8 115.0 1.6 484 3 15 5 43.696 87.392 0.448 2.9 8 52.2 0.3 485 2 16 2 43.697 87.394 0.448 2.9 8 107.1 1.4 486 11 7 1 43.706 87.413 0.449 2.9 8 130.3 2.0 487 9 11 1 43.719 87.438 0.449 2.9 8 115.7 1.6 488 0 0 16 43.788 87.577 0.449 2.9 2 702.2 14.7 489 11 5 5 43.824 87.649 0.449 2.9 8 24.4 0.1 490 0 8 14 43.903 87.807 0.45 2.89 4 20.1 0.0 491 6 10 10 43.912 87.824 0.45 2.89 8 15.0 0.0 492 11 1 7 43.942 87.884 0.45 2.89 8 52.8 0.3 493 8 2 12 43.955 87.911 0.451 2.89 8 188.9 4.2 494 3 13 9 43.971 87.941 0.451 2.89 8 86.7 0.9 495 6 0 14 43.974 87.948 0.451 2.89 4 253.4 3.8 496 4 6 14 43.98 87.96 0.451 2.89 8 95.8 1.1 497 2 14 8 43.991 87.982 0.451 2.88 8 49.1 0.3 498 5 15 1 44.064 88.129 0.451 2.88 8 158.0 2.9 499 5 7 13 44.07 88.14 0.451 2.88 8 214.2 5.4 500 0 2 16 44.198 88.396 0.453 2.87 4 216.6 2.8 501 0 16 4 44.248 88.496 0.453 2.87 4 185.0 2.0 502 9 1 11 44.308 88.616 0.453 2.87 8 97.0 1.1 503 6 2 14 44.383 88.766 0.454 2.86 8 7.6 0.0 504 7 3 13 44.39 88.78 0.454 2.86 8 24.8 0.1 505 3 9 13 44.402 88.805 0.454 2.86 8 78.9 0.7 506 12 4 0 44.452 88.903 0.455 2.86 4 34.9 0.1 507 2 0 16 44.524 89.048 0.455 2.85 4 128.7 1.0 508 12 0 4 44.53 89.06 0.455 2.85 4 70.4 0.3 509 6 12 8 44.554 89.108 0.455 2.85 8 91.9 1.0 510 8 12 4 44.555 89.11 0.455 2.85 8 73.3 0.6 511 11 7 3 44.564 89.129 0.455 2.85 8 16.9 0.0 512 9 11 3 44.577 89.154 0.456 2.85 8 201.0 4.7 513 2 8 14 44.639 89.277 0.456 2.85 8 2.5 0.0 514 3 5 15 44.677 89.354 0.456 2.85 8 10.9 0.0 515 6 14 4 44.728 89.455 0.457 2.84 8 89.3 0.9 516 4 12 10 44.737 89.474 0.457 2.84 8 75.6 0.7 517 11 3 7 44.76 89.521 0.457 2.84 8 84.5 0.8 518 9 9 7 44.773 89.546 0.457 2.84 8 137.5 2.2 519 1 15 7 44.798 89.597 0.457 2.84 8 15.8 0.0 520 12 4 2 44.88 89.76 0.458 2.83 8 78.9 0.7 521 5 15 3 44.922 89.844 0.458 2.83 8 29.4 0.1 522 9 7 9 44.93 89.86 0.458 2.83 8 91.7 1.0 523 2 2 16 44.933 89.866 0.458 2.83 8 34.6 0.1 524 12 2 4 44.939 89.878 0.459 2.83 8 202.8 4.8 525 6 8 12 44.946 89.893 0.459 2.83 8 1.7 0.0 526 4 10 12 44.953 89.905 0.459 2.83 8 87.9 0.9 527 10 10 0 44.956 89.913 0.459 2.83 4 404.5 9.5 528 2 16 4 44.983 89.967 0.459 2.83 8 87.6 0.9 X-ray diffraction powder data (I)...X-Ray wave length = 1.54056 (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 1 4.752 9.504 9.29809 106.5 8.2 8.2 5.6 2 0 2 0 4.847 9.694 9.116 1293.8 100.0 100.0 5.6 3 0 0 2 4.962 9.925 8.905 615.4 47.6 47.6 5.6 4 2 0 0 6.504 13.007 6.8005 44.3 3.4 3.4 5.6 5 0 2 2 6.945 13.891 6.37008 26.8 2.1 2.1 5.6 6 1 3 1 8.361 16.721 5.29748 15.1 1.2 1.2 5.6 7 1 1 3 8.496 16.992 5.21373 82.2 6.3 6.3 5.6 8 2 2 2 9.537 19.074 4.64905 246.6 19.1 19.0 5.6 9 3 1 1 10.39 20.779 4.27128 152.9 11.8 11.7 5.6 10 1 3 3 10.954 21.908 4.05371 549.2 42.4 42.1 5.6 11 0 2 4 11.101 22.201 4.00078 39.3 3.0 3.0 5.6 12 2 0 4 11.934 23.868 3.7251 204.3 15.8 15.7 5.6 13 2 4 2 12.772 25.544 3.48435 132.9 10.3 10.2 5.6 14 4 0 0 13.093 26.186 3.40025 119.3 9.2 9.1 5.6 15 1 1 5 13.15 26.3 3.38585 65.6 5.1 5.0 5.6 16 4 2 0 13.992 27.983 3.18585 158.8 12.3 12.1 5.6 17 4 0 2 14.033 28.067 3.17656 100.1 7.7 7.6 5.6 18 3 3 3 14.39 28.781 3.09936 139.2 10.8 10.6 5.6 19 1 5 3 14.732 29.464 3.02907 383.7 29.7 29.3 5.6 20 1 3 5 14.891 29.781 2.9975 295.8 22.9 22.6 5.6 21 0 0 6 15.04 30.081 2.96833 18.0 1.4 1.4 5.6 22 3 5 1 15.933 31.867 2.80591 19.8 1.5 1.5 5.6 23 2 6 0 16.12 32.24 2.77431 81.6 6.3 6.2 5.6 24 4 0 4 16.561 33.122 2.70236 54.2 4.2 4.1 5.6 25 2 6 2 16.906 33.813 2.64874 17.2 1.3 1.3 5.7 26 2 2 6 17.186 34.373 2.60686 57.3 4.4 4.4 5.7 27 4 2 4 17.296 34.591 2.59092 39.2 3.0 3.0 5.7 28 3 5 3 17.49 34.98 2.56297 49.8 3.9 3.8 5.7 29 0 6 4 17.872 35.745 2.50988 31.4 2.4 2.4 5.7 30 0 4 6 18.04 36.079 2.48737 37.5 2.9 2.8 5.7 31 6 0 0 19.865 39.73 2.26683 22.0 1.7 1.7 5.7 32 4 0 6 20.149 40.299 2.23614 13.5 1.0 1.0 5.7 33 0 0 8 20.243 40.486 2.22625 20.9 1.6 1.6 5.7 34 3 1 7 20.471 40.941 2.20252 18.7 1.4 1.4 5.7 35 5 1 5 21.026 42.052 2.14685 19.8 1.5 1.5 5.7 36 0 6 6 21.27 42.54 2.12336 17.3 1.3 1.3 5.7 37 3 3 7 21.69 43.379 2.08421 14.7 1.1 1.1 5.7 38 1 5 7 21.93 43.861 2.06243 33.2 2.6 2.5 5.7 39 5 3 5 22.22 44.441 2.03685 55.8 4.3 4.2 5.7 40 6 4 0 22.303 44.606 2.02968 19.1 1.5 1.4 5.7 41 4 6 4 22.424 44.847 2.01933 13.1 1.0 1.0 5.7 42 4 8 0 24.009 48.019 1.89311 14.0 1.1 1.0 5.7 43 5 5 5 24.47 48.94 1.85962 31.6 2.4 2.4 5.7 44 5 1 7 24.626 49.251 1.84859 14.5 1.1 1.1 5.7 45 0 10 0 24.992 49.984 1.8232 45.6 3.5 3.4 5.7 46 0 8 6 25.222 50.443 1.80766 34.6 2.7 2.6 5.8 47 0 0 10 25.626 51.252 1.781 36.8 2.8 2.7 5.8 48 2 6 8 26.335 52.671 1.73633 28.4 2.2 2.1 5.8 49 8 0 0 26.941 53.882 1.70012 14.8 1.1 1.1 5.8 50 7 1 5 26.972 53.944 1.69832 18.2 1.4 1.4 5.8 51 8 2 0 27.444 54.888 1.67131 27.3 2.1 2.0 5.8 52 5 7 5 27.584 55.168 1.6635 30.4 2.4 2.3 5.8 53 8 2 2 27.965 55.93 1.64263 24.4 1.9 1.8 5.8 54 2 10 4 28.059 56.118 1.63758 19.1 1.5 1.4 5.8 55 4 10 0 28.646 57.291 1.60679 14.1 1.1 1.0 5.8 56 0 8 8 28.926 57.853 1.59252 23.6 1.8 1.7 5.8 57 4 6 8 29.017 58.034 1.58798 69.2 5.3 5.1 5.8 58 1 11 3 29.066 58.133 1.58552 14.9 1.1 1.1 5.8 59 6 8 2 29.145 58.29 1.58162 28.0 2.2 2.1 5.8 60 6 2 8 29.489 58.979 1.56478 28.6 2.2 2.1 5.8 61 0 10 6 29.724 59.447 1.55355 41.0 3.2 3.0 5.8 62 2 8 8 29.787 59.573 1.55057 22.4 1.7 1.7 5.8 63 1 5 11 31.575 63.15 1.47109 13.9 1.1 1.0 5.9 64 4 8 8 32.283 64.567 1.44218 52.2 4.0 3.8 5.9 65 7 5 7 32.8 65.6 1.42195 20.5 1.6 1.5 5.9 66 0 10 8 33.099 66.198 1.41054 16.7 1.3 1.2 5.9 67 9 5 3 34.527 69.054 1.359 32.0 2.5 2.3 5.9 68 9 3 5 34.611 69.222 1.35612 22.7 1.8 1.6 5.9 69 8 2 8 35.191 70.382 1.33658 21.5 1.7 1.6 5.9 70 8 6 6 35.479 70.958 1.32714 21.9 1.7 1.6 5.9 71 5 11 5 35.846 71.691 1.31536 37.8 2.9 2.7 5.9 72 3 13 3 36.112 72.225 1.30695 19.1 1.5 1.4 5.9 73 0 14 0 36.262 72.525 1.30229 22.2 1.7 1.6 5.9 74 1 13 5 36.369 72.738 1.29899 42.4 3.3 3.1 6.0 75 3 3 13 36.933 73.866 1.28192 13.4 1.0 1.0 6.0 76 1 5 13 37.106 74.211 1.27681 18.2 1.4 1.3 6.0 77 3 13 5 37.897 75.793 1.25404 13.2 1.0 0.9 6.0 78 0 8 12 38.269 76.538 1.24369 14.8 1.1 1.1 6.0 79 8 8 6 38.46 76.921 1.23844 13.9 1.1 1.0 6.0 80 10 0 6 38.533 77.066 1.23648 25.7 2.0 1.8 6.0 81 3 5 13 38.623 77.246 1.23405 46.6 3.6 3.3 6.0 82 8 10 4 40.03 80.061 1.19758 24.9 1.9 1.8 6.0 83 10 8 0 41.264 82.528 1.16792 17.8 1.4 1.3 6.1 84 8 8 8 41.509 83.019 1.16226 24.6 1.9 1.7 6.1 85 10 0 8 41.58 83.161 1.16064 15.6 1.2 1.1 6.1 86 12 0 2 43.243 86.486 1.12435 15.1 1.2 1.1 6.1 87 0 0 16 43.788 87.577 1.11312 14.7 1.1 1.0 6.2 88 10 10 0 44.956 89.913 1.09017 15.2 1.2 1.1 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) |