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 *** *********************** MANGANOEUDIALYTE 1, t-eudialyte, f-eudialite, DF Na(13)Ca(6)(Mn,Fe,Zr)(2.5)(Zr,Ti)(3)(Si,Al,Ti)Si(24)O(72)(Cl,OH)(6).H(2)O Hexagonal R 3m Z = 3 R3m 14 .11 .17 Ref.Str.: Nomura S.F., Atencio D., Chukanov N.V, Rastsvetaeva R.K., Coutinho J.M.V., Karipidis T.K. (2010) * ZRMO, 139, 35-47 L: $Zr9.24 Ca18 Si75.57 O254.37 Mn5.72 Fe3.6 Na47.84 Al0.75 Nb0.87 Ti0.57 K1.17 Sr2.43 Ce0.18 H40.56 C2.64 F.39$ R: Locality - Pocos de Caldas massif, Minas Gerais, Brazil. N.A.D. Initial data from BDM-file Lattice parameters (cub. angs.,degr.): a = 14.2418 alpha = 90.0 b = 14.2418 beta = 90.0 c = 30.1143 gamma = 120.0 Unit cell volume (cub. angs.) = 5289.73 Molar volume ( cub.cm/mol.) = 1062.07 Co-ordinates, thermal parameters, occupation for atomic positions: NoP x/a y/b z/c B(j) atom / occupation 1 0.3325 0.1663 0.1668 0.0 Zr = 1.00 2 0.9999 0.2601 0.0 0.0 Ca = 1.00 3 0.526 0.263 0.2514 0.0 Si = 1.00 4 0.9944 0.6036 0.0976 0.0 Si = 1.00 5 0.2081 0.4162 0.077 0.0 Si = 1.00 6 0.0827 0.5413 0.2585 0.0 Si = 1.00 7 0.057 0.3267 0.2369 0.0 Si = 1.00 8 0.1404 0.0702 0.0826 0.0 Si = 1.00 9 0.479 0.2395 0.2006 0.0 O = 1.00 10 0.26 0.0334 0.2085 0.0 O = 1.00 11 0.4061 0.3047 0.1275 0.0 O = 1.00 12 0.6052 0.3948 0.2562 0.0 O = 1.00 13 0.4342 0.2171 0.2884 0.0 O = 1.00 14 0.4114 0.0338 0.0453 0.0 O = 1.00 15 0.1011 0.3795 0.1076 0.0 O = 1.00 16 0.0207 0.5103 0.115 0.0 O = 1.00 17 0.274 0.548 0.0685 0.0 O = 1.00 18 0.1809 0.3619 0.0287 0.0 O = 1.00 19 0.0282 0.5141 0.3052 0.0 O = 1.00 20 0.1765 0.3539 0.2184 0.0 O = 1.00 21 0.0443 0.3001 0.2885 0.0 O = 1.00 22 0.3871 0.4321 0.2271 0.0 O = 1.00 23 0.3952 0.6048 0.2526 0.0 O = 1.00 24 0.0618 0.1237 0.0782 0.0 O = 1.00 25 0.1891 0.0946 0.1312 0.0 O = 1.00 26 0.226 0.113 0.0433 0.0 O = 1.00 27 0.4928 0.507 0.0017 0.0 Mn = 0.52, Mn = 0.0 28 0.52 0.48 0.9977 0.0 Fe = 0.4 , Fe = 0.0 29 0.134 0.268 0.334 0.0 Na = 0.08, Na = 0.0 30 0.3333 0.6667 0.2454 0.0 Si = 0.38, Si = 0.0 31 0.3333 0.6667 0.2839 0.0 Al = 0.25, Al = 0.0 32 0.3333 0.6667 0.2966 0.0 Nb = 0.29, Zr = 0.08 33 0.3333 0.6667 0.0429 0.0 Ti = 1.00 34 0.3333 0.6667 0.0518 0.0 Si = 0.37, Si = 0.0 35 0.3333 0.6667 0.09 0.0 Si = 0.44, Si = 0.0 36 0.1128 0.2256 0.1523 0.0 Na = 0.79, Na = 0.0 37 0.0925 0.185 0.162 0.0 Na = 0.21, Na = 0.0 38 0.5839 0.4163 0.1638 0.0 Na = 0.4 , Na = 0.0 39 0.5585 0.4415 0.1785 0.0 Na = 0.6 , Na = 0.0 40 0.2358 0.4716 0.9557 0.0 Na = 0.23, K = 0.13 41 0.222 0.1106 0.2837 0.0 Na = 0.64, Na = 0.0 42 0.4292 0.215 0.0569 0.0 Na = 0.36, Na = 0.0 43 0.4653 0.2327 0.0494 0.0 Sr = 0.27, Ce = 0.02 44 0.485 0.2426 0.045 0.0 Na = 0.35, Na = 0.0 45 0.2512 0.502 0.1733 0.0 Na = 0.23, Na = 0.0 46 0.1897 0.5949 0.146 0.0 Na = 0.4 , Na = 0.0 47 0.6667 0.3333 0.1008 0.0 Cl = 0.48, Cl = 0.0 48 0.0 0.0 0.2401 0.0 Cl = 0.4 , Cl = 0.0 49 0.6667 0.3333 0.036 0.0 F = 0.13, F = 0.0 50 0.3333 0.6667 0.1426 0.0 OH = 0.44, OH = 0.0 51 0.3333 0.6667 0.196 0.0 OH = 0.38, OH = 0.0 52 0.3333 0.6667 0.9955 0.0 OH = 0.37, OH = 0.0 53 0.3333 0.6667 0.341 0.0 OH = 0.25, OH = 0.0 54 0.24 0.62 0.0009 0.0 H(2)O = 0.4 , H(2)O = 0.0 55 0.24 0.62 0.0009 0.0 H(2)O = 0.2 , H(2)O = 0.0 56 0.602 0.204 0.9961 0.0 H(2)O = 0.52, H(2)O = 0.0 57 0.602 0.204 0.9961 0.0 H(2)O = 0.4 , H(2)O = 0.0 58 0.6667 0.3333 0.123 0.0 H(2)O = 0.36, H(2)O = 0.0 59 0.0 0.0 0.252 0.0 H(2)O = 0.43, H(2)O = 0.0 Co-ordinates for all atomic positions : No NoP x/a y/b z/c 1 1 0.3325 0.1663 0.1668 2 2 0.9999 0.2601 0.0 3 3 0.526 0.263 0.2514 4 4 0.9944 0.6036 0.0976 5 5 0.2081 0.4162 0.077 6 6 0.0827 0.5413 0.2585 7 7 0.057 0.3267 0.2369 8 8 0.1404 0.0702 0.0826 9 9 0.479 0.2395 0.2006 10 10 0.26 0.0334 0.2085 11 11 0.4061 0.3047 0.1275 12 12 0.6052 0.3948 0.2562 13 13 0.4342 0.2171 0.2884 14 14 0.4114 0.0338 0.0453 15 15 0.1011 0.3795 0.1076 16 16 0.0207 0.5103 0.115 17 17 0.274 0.548 0.0685 18 18 0.1809 0.3619 0.0287 19 19 0.0282 0.5141 0.3052 20 20 0.1765 0.3539 0.2184 21 21 0.0443 0.3001 0.2885 22 22 0.3871 0.4321 0.2271 23 23 0.3952 0.6048 0.2526 24 24 0.0618 0.1237 0.0782 25 25 0.1891 0.0946 0.1312 26 26 0.226 0.113 0.0433 27 27 0.4928 0.507 0.0017 28 28 0.52 0.48 0.9977 29 29 0.134 0.268 0.334 30 30 0.3333 0.6667 0.2454 31 31 0.3333 0.6667 0.2839 32 32 0.3333 0.6667 0.2966 33 33 0.3333 0.6667 0.0429 34 34 0.3333 0.6667 0.0518 35 35 0.3333 0.6667 0.09 36 36 0.1128 0.2256 0.1523 37 37 0.0925 0.185 0.162 38 38 0.5839 0.4163 0.1638 39 39 0.5585 0.4415 0.1785 40 40 0.2358 0.4716 0.9557 41 41 0.222 0.1106 0.2837 42 42 0.4292 0.215 0.0569 43 43 0.4653 0.2327 0.0494 44 44 0.485 0.2426 0.045 45 45 0.2512 0.502 0.1733 46 46 0.1897 0.5949 0.146 47 47 0.6667 0.3333 0.1008 48 48 0.0 0.0 0.2401 49 49 0.6667 0.3333 0.036 50 50 0.3333 0.6667 0.1426 51 51 0.3333 0.6667 0.196 52 52 0.3333 0.6667 0.9955 53 53 0.3333 0.6667 0.341 54 54 0.24 0.62 0.0009 55 55 0.24 0.62 0.0009 56 56 0.602 0.204 0.9961 57 57 0.602 0.204 0.9961 58 58 0.6667 0.3333 0.123 59 59 0.0 0.0 0.252 60 1 0.8337 0.1662 0.1668 61 1 0.8338 0.6675 0.1668 62 2 0.7399 0.7398 0.0 63 2 0.2602 0.0001 0.0 64 3 0.737 0.263 0.2514 65 3 0.737 0.474 0.2514 66 4 0.3964 0.3908 0.0976 67 4 0.6092 0.0056 0.0976 68 5 0.5838 0.7919 0.077 69 5 0.2081 0.7919 0.077 70 6 0.4587 0.5414 0.2585 71 6 0.4586 0.9173 0.2585 72 7 0.6733 0.7303 0.2369 73 7 0.2697 0.943 0.2369 74 8 0.9298 0.0702 0.0826 75 8 0.9298 0.8596 0.0826 76 9 0.7605 0.2395 0.2006 77 9 0.7605 0.521 0.2006 78 10 0.9666 0.2266 0.2085 79 10 0.7734 0.74 0.2085 80 11 0.6953 0.1014 0.1275 81 11 0.8986 0.5939 0.1275 82 12 0.6052 0.2104 0.2562 83 12 0.7896 0.3948 0.2562 84 13 0.7829 0.2171 0.2884 85 13 0.7829 0.5658 0.2884 86 14 0.9662 0.3776 0.0453 87 14 0.6224 0.5886 0.0453 88 15 0.6205 0.7216 0.1076 89 15 0.2784 0.8989 0.1076 90 16 0.4897 0.5104 0.115 91 16 0.4896 0.9793 0.115 92 17 0.452 0.726 0.0685 93 17 0.274 0.726 0.0685 94 18 0.6381 0.819 0.0287 95 18 0.181 0.8191 0.0287 96 19 0.4859 0.5141 0.3052 97 19 0.4859 0.9718 0.3052 98 20 0.6461 0.8226 0.2184 99 20 0.1774 0.8235 0.2184 100 21 0.6999 0.7442 0.2885 101 21 0.2558 0.9557 0.2885 102 22 0.5679 0.955 0.2271 103 22 0.045 0.6129 0.2271 104 23 0.3952 0.7904 0.2526 105 23 0.2096 0.6048 0.2526 106 24 0.8763 0.9381 0.0782 107 24 0.0619 0.9382 0.0782 108 25 0.9054 0.0945 0.1312 109 25 0.9055 0.8109 0.1312 110 26 0.887 0.113 0.0433 111 26 0.887 0.774 0.0433 112 27 0.493 0.9858 0.0017 113 27 0.0142 0.5072 0.0017 114 28 0.52 0.04 0.9977 115 28 0.96 0.48 0.9977 116 29 0.732 0.866 0.334 117 29 0.134 0.866 0.334 118 36 0.7744 0.8872 0.1523 119 36 0.1128 0.8872 0.1523 120 37 0.815 0.9075 0.162 121 37 0.0925 0.9075 0.162 122 38 0.5837 0.1676 0.1638 123 38 0.8324 0.4161 0.1638 124 39 0.5585 0.117 0.1785 125 39 0.883 0.4415 0.1785 126 40 0.5284 0.7642 0.9557 127 40 0.2358 0.7642 0.9557 128 41 0.8894 0.1114 0.2837 129 41 0.8886 0.778 0.2837 130 42 0.785 0.2142 0.0569 131 42 0.7858 0.5708 0.0569 132 43 0.7673 0.2326 0.0494 133 43 0.7674 0.5347 0.0494 134 44 0.7574 0.2424 0.045 135 44 0.7576 0.515 0.045 136 45 0.498 0.7492 0.1733 137 45 0.2508 0.7488 0.1733 138 46 0.4051 0.5948 0.146 139 46 0.4052 0.8103 0.146 140 54 0.38 0.62 0.0009 141 54 0.38 0.76 0.0009 142 55 0.38 0.62 0.0009 143 55 0.38 0.76 0.0009 144 56 0.796 0.398 0.9961 145 56 0.602 0.398 0.9961 146 57 0.796 0.398 0.9961 147 57 0.602 0.398 0.9961 148 1 0.5004 0.4995 0.5001 149 1 0.1671 0.3342 0.8335 150 2 0.4066 0.0731 0.3333 151 2 0.5935 0.6668 0.6667 152 3 0.4037 0.5963 0.5847 153 3 0.0703 0.1407 0.9181 154 4 0.0631 0.7241 0.4309 155 4 0.9425 0.6723 0.7643 156 5 0.2505 0.1252 0.4103 157 5 0.5414 0.4586 0.7437 158 6 0.1254 0.8747 0.5918 159 6 0.7919 0.584 0.9252 160 7 0.34 0.0636 0.5702 161 7 0.603 0.6097 0.9036 162 8 0.5965 0.4035 0.4159 163 8 0.2631 0.5263 0.7493 164 9 0.4272 0.5728 0.5339 165 9 0.0938 0.1877 0.8673 166 10 0.6333 0.5599 0.5418 167 10 0.1067 0.4067 0.8752 168 11 0.362 0.4347 0.4608 169 11 0.2319 0.2606 0.7942 170 12 0.2719 0.5437 0.5895 171 12 0.1229 0.0615 0.9229 172 13 0.4496 0.5504 0.6217 173 13 0.1162 0.2325 0.9551 174 14 0.6329 0.7109 0.3786 175 14 0.9557 0.2553 0.712 176 15 0.2872 0.0549 0.4409 177 15 0.6117 0.5656 0.7743 178 16 0.1564 0.8437 0.4483 179 16 0.8229 0.646 0.7817 180 17 0.1187 0.0593 0.4018 181 17 0.6073 0.3927 0.7352 182 18 0.3048 0.1523 0.362 183 18 0.5143 0.4858 0.6954 184 19 0.1526 0.8474 0.6385 185 19 0.8192 0.6385 0.9719 186 20 0.3128 0.1559 0.5517 187 20 0.5107 0.4902 0.8851 188 21 0.3666 0.0775 0.6218 189 21 0.5891 0.6224 0.9552 190 22 0.2346 0.2883 0.5604 191 22 0.3783 0.2796 0.8938 192 23 0.0619 0.1237 0.5859 193 23 0.5429 0.2715 0.9193 194 24 0.543 0.2714 0.4115 195 24 0.3952 0.6049 0.7449 196 25 0.5721 0.4278 0.4645 197 25 0.2388 0.4776 0.7979 198 26 0.5537 0.4463 0.3766 199 26 0.2203 0.4407 0.71 200 27 0.1597 0.3191 0.335 201 27 0.3475 0.1739 0.6684 202 28 0.1867 0.3733 0.331 203 28 0.2933 0.1467 0.6644 204 29 0.3987 0.1993 0.6673 205 29 0.4673 0.5327 0.0007 206 30 0.0 0.0 0.5787 207 30 0.6667 0.3333 0.9121 208 31 0.0 0.0 0.6172 209 31 0.6667 0.3333 0.9506 210 32 0.0 0.0 0.6299 211 32 0.6667 0.3333 0.9633 212 33 0.0 0.0 0.3762 213 33 0.6667 0.3333 0.7096 214 34 0.0 0.0 0.3851 215 34 0.6667 0.3333 0.7185 216 35 0.0 0.0 0.4233 217 35 0.6667 0.3333 0.7567 218 36 0.4411 0.2205 0.4856 219 36 0.4461 0.5539 0.819 220 37 0.4817 0.2408 0.4953 221 37 0.4258 0.5742 0.8287 222 38 0.2504 0.5009 0.4971 223 38 0.1657 0.0828 0.8305 224 39 0.2252 0.4503 0.5118 225 39 0.2163 0.1082 0.8452 226 40 0.1951 0.0975 0.289 227 40 0.5691 0.4309 0.6224 228 41 0.5561 0.4447 0.617 229 41 0.2219 0.4447 0.9504 230 42 0.4517 0.5475 0.3902 231 42 0.1191 0.2375 0.7236 232 43 0.434 0.5659 0.3827 233 43 0.1007 0.2014 0.7161 234 44 0.4241 0.5757 0.3783 235 44 0.0909 0.1817 0.7117 236 45 0.1647 0.0825 0.5066 237 45 0.5841 0.4155 0.84 238 46 0.0718 0.9281 0.4793 239 46 0.7385 0.477 0.8127 240 47 0.3333 0.6667 0.4341 241 47 0.0 0.0 0.7675 242 48 0.6667 0.3333 0.5734 243 48 0.3333 0.6667 0.9068 244 49 0.3333 0.6667 0.3693 245 49 0.0 0.0 0.7027 246 50 0.0 0.0 0.4759 247 50 0.6667 0.3333 0.8093 248 51 0.0 0.0 0.5293 249 51 0.6667 0.3333 0.8627 250 52 0.0 0.0 0.3288 251 52 0.6667 0.3333 0.6622 252 53 0.0 0.0 0.6743 253 53 0.6667 0.3333 0.0077 254 54 0.0467 0.9533 0.3342 255 54 0.7133 0.4267 0.6676 256 55 0.0467 0.9533 0.3342 257 55 0.7133 0.4267 0.6676 258 56 0.4627 0.7313 0.3294 259 56 0.9353 0.0647 0.6628 260 57 0.4627 0.7313 0.3294 261 57 0.9353 0.0647 0.6628 262 58 0.3333 0.6667 0.4563 263 58 0.0 0.0 0.7897 264 59 0.6667 0.3333 0.5853 265 59 0.3333 0.6667 0.9187 266 1 0.5005 0.0008 0.5001 267 1 0.6658 0.833 0.8335 268 1 0.9992 0.4996 0.5001 269 1 0.167 0.8328 0.8335 270 2 0.9269 0.3334 0.3333 271 2 0.3332 0.9268 0.6667 272 2 0.6666 0.5934 0.3333 273 2 0.0732 0.4064 0.6667 274 3 0.4037 0.8073 0.5847 275 3 0.8593 0.9297 0.9181 276 3 0.1927 0.5963 0.5847 277 3 0.0703 0.9297 0.9181 278 4 0.2759 0.3389 0.4309 279 4 0.3277 0.2703 0.7643 280 4 0.6611 0.9369 0.4309 281 4 0.7297 0.0574 0.7643 282 5 0.8748 0.1252 0.4103 283 5 0.5414 0.0829 0.7437 284 5 0.8748 0.7495 0.4103 285 5 0.9171 0.4585 0.7437 286 6 0.1253 0.2506 0.5918 287 6 0.416 0.208 0.9252 288 6 0.7494 0.8746 0.5918 289 6 0.792 0.208 0.9252 290 7 0.9364 0.2763 0.5702 291 7 0.3903 0.9934 0.9036 292 7 0.7237 0.66 0.5702 293 7 0.0066 0.3969 0.9036 294 8 0.5965 0.1929 0.4159 295 8 0.4737 0.7369 0.7493 296 8 0.8071 0.4035 0.4159 297 8 0.2631 0.7369 0.7493 298 9 0.4272 0.8543 0.5339 299 9 0.8123 0.9062 0.8673 300 9 0.1457 0.5728 0.5339 301 9 0.0938 0.9061 0.8673 302 10 0.4401 0.0733 0.5418 303 10 0.5933 0.7001 0.8752 304 10 0.9267 0.3667 0.5418 305 10 0.2999 0.8932 0.8752 306 11 0.5653 0.9272 0.4608 307 11 0.7394 0.9714 0.7942 308 11 0.0728 0.638 0.4608 309 11 0.0286 0.7681 0.7942 310 12 0.4563 0.7281 0.5895 311 12 0.9385 0.0615 0.9229 312 12 0.2719 0.7281 0.5895 313 12 0.9385 0.877 0.9229 314 13 0.4496 0.8991 0.6217 315 13 0.7675 0.8838 0.9551 316 13 0.1009 0.5504 0.6217 317 13 0.1162 0.8837 0.9551 318 14 0.2891 0.9219 0.3786 319 14 0.7447 0.7005 0.712 320 14 0.0781 0.3671 0.3786 321 14 0.2995 0.0442 0.712 322 15 0.9451 0.2322 0.4409 323 15 0.4344 0.0462 0.7743 324 15 0.7678 0.7128 0.4409 325 15 0.9538 0.3883 0.7743 326 16 0.1563 0.3126 0.4483 327 16 0.354 0.177 0.7817 328 16 0.6874 0.8436 0.4483 329 16 0.823 0.1771 0.7817 330 17 0.9407 0.0593 0.4018 331 17 0.6073 0.2147 0.7352 332 17 0.9407 0.8813 0.4018 333 17 0.7853 0.3927 0.7352 334 18 0.8477 0.1524 0.362 335 18 0.5142 0.0286 0.6954 336 18 0.8476 0.6952 0.362 337 18 0.9714 0.4857 0.6954 338 19 0.1526 0.3051 0.6385 339 19 0.3615 0.1808 0.9719 340 19 0.6949 0.8474 0.6385 341 19 0.8192 0.1807 0.9719 342 20 0.8441 0.1568 0.5517 343 20 0.5098 0.0206 0.8851 344 20 0.8432 0.6872 0.5517 345 20 0.9794 0.4892 0.8851 346 21 0.9225 0.289 0.6218 347 21 0.3776 0.9668 0.9552 348 21 0.711 0.6334 0.6218 349 21 0.0332 0.4108 0.9552 350 22 0.7117 0.9462 0.5604 351 22 0.7204 0.0988 0.8938 352 22 0.0538 0.7654 0.5604 353 22 0.9012 0.6216 0.8938 354 23 0.8763 0.9381 0.5859 355 23 0.7285 0.2715 0.9193 356 23 0.0619 0.9381 0.5859 357 23 0.7285 0.4571 0.9193 358 24 0.7286 0.2715 0.4115 359 24 0.3951 0.7904 0.7449 360 24 0.7285 0.457 0.4115 361 24 0.2096 0.6047 0.7449 362 25 0.5722 0.1442 0.4645 363 25 0.5224 0.7613 0.7979 364 25 0.8558 0.4279 0.4645 365 25 0.2387 0.7612 0.7979 366 26 0.5537 0.1073 0.3766 367 26 0.5593 0.7797 0.71 368 26 0.8927 0.4463 0.3766 369 26 0.2203 0.7796 0.71 370 27 0.6809 0.8405 0.335 371 27 0.8261 0.1737 0.6684 372 27 0.1595 0.8403 0.335 373 27 0.8263 0.6524 0.6684 374 28 0.6267 0.8133 0.331 375 28 0.8533 0.1467 0.6644 376 28 0.1867 0.8133 0.331 377 28 0.8533 0.7067 0.6644 378 29 0.8007 0.1993 0.6673 379 29 0.4673 0.9347 0.0007 380 29 0.8007 0.6013 0.6673 381 29 0.0653 0.5326 0.0007 382 36 0.7795 0.2205 0.4856 383 36 0.4461 0.8923 0.819 384 36 0.7795 0.5589 0.4856 385 36 0.1077 0.5538 0.819 386 37 0.7592 0.2408 0.4953 387 37 0.4258 0.8517 0.8287 388 37 0.7592 0.5183 0.4953 389 37 0.1483 0.5742 0.8287 390 38 0.4991 0.7494 0.4971 391 38 0.9172 0.083 0.8305 392 38 0.2506 0.7496 0.4971 393 38 0.917 0.8342 0.8305 394 39 0.5497 0.7748 0.5118 395 39 0.8918 0.1082 0.8452 396 39 0.2252 0.7748 0.5118 397 39 0.8918 0.7837 0.8452 398 40 0.9025 0.0975 0.289 399 40 0.5691 0.1383 0.6224 400 40 0.9025 0.8049 0.289 401 40 0.8617 0.4308 0.6224 402 41 0.5553 0.1113 0.617 403 41 0.5553 0.7773 0.9504 404 41 0.8887 0.4439 0.617 405 41 0.2227 0.7781 0.9504 406 42 0.4525 0.9041 0.3902 407 42 0.7625 0.8817 0.7236 408 42 0.0959 0.5483 0.3902 409 42 0.1183 0.8808 0.7236 410 43 0.4341 0.868 0.3827 411 43 0.7986 0.8994 0.7161 412 43 0.132 0.566 0.3827 413 43 0.1006 0.8992 0.7161 414 44 0.4243 0.8483 0.3783 415 44 0.8183 0.9093 0.7117 416 44 0.1517 0.5759 0.3783 417 44 0.0907 0.909 0.7117 418 45 0.9175 0.0821 0.5066 419 45 0.5845 0.1687 0.84 420 45 0.9179 0.8353 0.5066 421 45 0.8313 0.4158 0.84 422 46 0.0719 0.1436 0.4793 423 46 0.523 0.2616 0.8127 424 46 0.8564 0.9282 0.4793 425 46 0.7384 0.2614 0.8127 426 54 0.0467 0.0933 0.3342 427 54 0.5733 0.2867 0.6676 428 54 0.9067 0.9533 0.3342 429 54 0.7133 0.2866 0.6676 430 55 0.0467 0.0933 0.3342 431 55 0.5733 0.2867 0.6676 432 55 0.9067 0.9533 0.3342 433 55 0.7133 0.2866 0.6676 434 56 0.2687 0.7313 0.3294 435 56 0.9353 0.8707 0.6628 436 56 0.2687 0.5373 0.3294 437 56 0.1293 0.0646 0.6628 438 57 0.2687 0.7313 0.3294 439 57 0.9353 0.8707 0.6628 440 57 0.2687 0.5373 0.3294 441 57 0.1293 0.0646 0.6628 442 2 0.0 0.7398 0.0 443 4 0.9944 0.3908 0.0976 444 7 0.057 0.7303 0.2369 445 10 0.26 0.2266 0.2085 446 11 0.4061 0.1014 0.1275 447 14 0.4114 0.3776 0.0453 448 15 0.1011 0.7216 0.1076 449 21 0.0443 0.7442 0.2885 450 22 0.3871 0.955 0.2271 451 2 0.7399 0.0001 0.0 452 2 0.2602 0.2601 0.0 453 4 0.3964 0.0056 0.0976 454 4 0.6092 0.6036 0.0976 455 7 0.6733 0.943 0.2369 456 7 0.2697 0.3267 0.2369 457 10 0.9666 0.74 0.2085 458 10 0.7734 0.0334 0.2085 459 11 0.6953 0.5939 0.1275 460 11 0.8986 0.3047 0.1275 461 14 0.9662 0.5886 0.0453 462 14 0.6224 0.0338 0.0453 463 15 0.6205 0.8989 0.1076 464 15 0.2784 0.3795 0.1076 465 21 0.6999 0.9557 0.2885 466 21 0.2558 0.3001 0.2885 467 22 0.5679 0.6129 0.2271 468 22 0.045 0.4321 0.2271 469 2 0.4066 0.3334 0.3333 470 2 0.5935 0.9268 0.6667 471 4 0.0631 0.3389 0.4309 472 4 0.9425 0.2703 0.7643 473 7 0.34 0.2763 0.5702 474 7 0.603 0.9934 0.9036 475 10 0.6333 0.0733 0.5418 476 10 0.1067 0.7001 0.8752 477 11 0.362 0.9272 0.4608 478 11 0.2319 0.9714 0.7942 479 14 0.6329 0.9219 0.3786 480 14 0.9557 0.7005 0.712 481 15 0.2872 0.2322 0.4409 482 15 0.6117 0.0462 0.7743 483 21 0.3666 0.289 0.6218 484 21 0.5891 0.9668 0.9552 485 22 0.2346 0.9462 0.5604 486 22 0.3783 0.0988 0.8938 487 2 0.9269 0.5934 0.3333 488 2 0.3332 0.4065 0.6667 489 2 0.6666 0.0731 0.3333 490 2 0.0732 0.6668 0.6667 491 4 0.2759 0.9369 0.4309 492 4 0.3277 0.0575 0.7643 493 4 0.6611 0.7241 0.4309 494 4 0.7297 0.6723 0.7643 495 7 0.9364 0.66 0.5702 496 7 0.3903 0.397 0.9036 497 7 0.7237 0.0636 0.5702 498 7 0.0066 0.6097 0.9036 499 10 0.4401 0.3667 0.5418 500 10 0.5933 0.8933 0.8752 501 10 0.9267 0.5599 0.5418 502 10 0.2999 0.4067 0.8752 503 11 0.5653 0.638 0.4608 504 11 0.7394 0.7681 0.7942 505 11 0.0728 0.4347 0.4608 506 11 0.0286 0.2606 0.7942 507 14 0.2891 0.3671 0.3786 508 14 0.7447 0.0443 0.712 509 14 0.0781 0.7109 0.3786 510 14 0.2995 0.2553 0.712 511 15 0.9451 0.7128 0.4409 512 15 0.4344 0.3883 0.7743 513 15 0.7678 0.0549 0.4409 514 15 0.9538 0.5656 0.7743 515 21 0.9225 0.6334 0.6218 516 21 0.3776 0.4109 0.9552 517 21 0.711 0.0775 0.6218 518 21 0.0332 0.6224 0.9552 519 22 0.7117 0.7654 0.5604 520 22 0.7204 0.6217 0.8938 521 22 0.0538 0.2883 0.5604 522 22 0.9012 0.2796 0.8938 X-ray density (g/cm cub.) = 2.98 MU (1/cm) = 256.52 Mass attenuation coefficient (cm**2/g) = 86.22 Selected interatomic distances (cation-anion,anion-anion): NoP Atom Rad.sph. C.N. Distance NoP N. (angs.) (angs.) 1 Zr 3.156 6 2.0739 9 2.0667 10 2.0781 11 2.0682 25 2.0657 10 2.0791 11 2 Ca 3.42 7 2.3993 18 2.3863 14 2.3036 26 2.3202 13 3.4192 12 2.3893 19 2.3747 21 3 Si 2.64 4 1.636 9 1.643 12 1.5885 13 1.6431 12 4 Si 2.64 4 1.6365 16 1.5819 11 1.6341 15 1.613 14 5 Si 2.64 4 1.6273 15 1.6456 17 1.6013 18 1.6273 15 6 Si 2.64 4 1.5587 19 1.6642 22 1.5753 23 1.6631 22 7 Si 2.64 4 1.6424 20 1.5882 21 1.6082 10 1.6206 22 8 Si 2.64 4 1.6444 24 1.582 25 1.586 26 1.6431 24 9 O 3.804 11 3.0406 10 2.7839 11 2.6364 12 2.7012 13 3.6693 22 3.7934 47 3.2892 58 2.6364 12 3.0406 10 2.7839 11 3.6693 22 10 O 3.804 11 3.0406 9 3.5069 13 2.8422 25 3.6169 48 3.7272 59 3.6705 15 2.6254 20 2.6393 21 2.7515 10 3.0335 11 2.6188 22 11 O 3.804 11 2.7839 9 3.585 22 3.0446 25 3.6687 26 3.6154 47 3.5275 58 2.5793 16 3.0335 10 2.8954 11 2.6707 14 2.5959 15 12 O 3.804 9 2.6364 9 2.667 13 3.514 22 2.6364 9 2.6263 12 2.6263 12 2.667 13 3.292 19 3.5141 22 13 O 3.804 8 2.7012 9 3.5069 10 2.667 12 2.667 12 3.2948 21 2.7323 18 3.5069 10 3.2948 21 14 O 3.804 10 3.3505 26 2.9765 56 2.9765 57 2.6757 15 2.6671 16 3.2145 18 3.3561 19 2.8376 21 2.6707 11 3.0051 14 15 O 3.804 10 2.6389 16 2.7018 17 2.699 18 3.5792 20 3.5114 24 3.6705 10 2.6757 14 3.6655 25 2.5958 11 2.5251 15 16 O 3.804 10 2.6389 15 3.6505 17 2.5793 11 2.6671 14 3.651 17 3.6256 22 2.6402 15 2.5782 11 2.6679 14 3.6251 22 17 O 3.804 15 2.7018 15 3.6505 16 2.5894 18 2.6687 50 2.641 52 2.4345 54 2.4345 55 3.651 16 2.535 17 2.535 17 2.4345 54 3.3138 54 2.4345 55 3.3138 55 2.7017 15 18 O 3.804 13 2.699 15 2.5894 17 3.2944 24 3.439 54 3.439 55 3.2145 14 3.4394 54 3.4394 55 2.7325 13 3.3586 21 3.2159 14 2.6997 15 3.3595 21 19 O 3.804 13 3.2083 21 3.292 12 2.6892 22 2.7414 23 3.3557 14 2.7243 26 3.3523 56 3.3521 56 3.3523 57 3.3521 57 3.2083 21 2.6892 22 3.3557 14 20 O 3.804 10 3.5792 15 2.6731 21 2.639 22 3.5214 23 2.6253 10 3.5166 23 2.6355 10 3.5838 15 2.6804 21 2.6272 22 21 O 3.804 12 3.2083 19 2.6731 20 2.6393 10 3.2948 13 2.8374 14 3.3584 18 3.2662 54 3.2662 55 3.5141 56 3.5141 57 3.0122 21 2.6334 22 22 O 3.804 10 3.6693 9 3.585 11 3.514 12 2.639 20 2.5236 23 3.6256 16 2.6892 19 2.6188 10 2.6332 21 2.575 22 23 O 3.804 14 3.5214 20 2.5236 22 3.6472 50 2.2879 51 3.0686 53 2.7414 19 3.5166 20 2.6431 23 2.6431 23 2.7914 56 2.7914 57 2.7915 56 2.7915 57 2.5236 22 24 O 3.804 9 3.5114 15 3.2944 18 2.5995 25 2.6368 26 2.6426 24 2.6426 24 2.5991 25 2.6354 26 3.512 15 25 O 3.804 9 2.8422 10 3.0446 11 2.5995 24 2.6859 26 3.6655 15 2.5991 24 2.8415 10 3.0452 11 3.6642 15 26 O 3.804 8 3.6687 11 3.3505 14 2.6368 24 2.6859 25 2.6354 24 2.7244 19 3.6687 11 3.3505 14 27 Mn ,Mn 3.264 8 2.0824 14 2.7849 54 2.7849 55 2.6966 56 2.6966 57 2.0716 21 2.0803 14 2.0697 21 28 Fe ,Fe 3.132 6 2.0781 14 2.0234 56 2.0234 57 2.1737 21 2.078 14 2.1739 21 29 Na ,Na 3.348 9 2.0742 21 3.3091 52 2.3579 14 2.1542 54 2.1542 55 3.3248 56 3.3248 57 2.0743 21 2.3577 14 30 Si ,Si 2.64 4 1.5415 23 1.4876 51 1.5413 23 1.5413 23 31 Al ,Al 2.856 12 1.7938 23 2.647 51 1.7195 53 1.7936 23 1.7936 23 2.5727 49 2.1034 56 2.1034 57 2.1034 56 2.1034 56 2.1034 57 2.1034 57 32 Nb ,Zr 3.156 12 2.0211 23 3.0295 51 1.3371 53 2.0209 23 2.0209 23 2.1902 49 1.8767 56 1.8767 57 1.8767 56 1.8767 56 1.8767 57 1.8767 57 33 Ti 3.108 11 1.6543 17 3.0024 50 1.4274 52 1.7102 54 1.7102 55 1.6543 17 1.654 17 1.7104 54 1.7102 54 1.7104 55 1.7102 55 34 Si ,Si 2.64 10 1.5476 17 1.6954 52 1.9169 54 1.9169 55 1.5476 17 1.5474 17 1.9171 54 1.9169 54 1.9171 55 1.9169 55 35 Si ,Si 2.64 4 1.6005 17 1.584 50 1.6005 17 1.6002 17 36 Na ,Na 3.348 8 2.6475 15 2.5429 20 2.5611 24 2.6632 25 2.6887 10 2.6645 25 2.6888 10 2.6476 15 37 Na ,Na 3.348 9 3.1674 15 2.6878 20 2.6344 24 2.4863 25 3.2769 48 2.5669 10 2.4874 25 2.5669 10 3.1675 15 38 Na ,Na 3.348 8 2.4573 9 2.4715 11 2.8322 12 2.7889 47 2.385 58 2.4551 9 2.7482 16 2.4693 11 39 Na ,Na 3.348 9 2.5969 9 2.5762 11 2.6081 12 2.7914 22 3.1485 58 2.597 9 2.5575 16 2.5763 11 2.7915 22 40 Na ,K 3.768 14 3.5252 17 2.5813 18 2.688 52 2.4893 54 2.4893 55 2.4893 54 2.4893 55 2.9012 10 2.9496 13 2.8214 48 2.6518 59 2.5645 21 2.901 10 2.5642 21 41 Na ,Na 3.348 13 2.688 10 2.6211 13 3.0366 48 2.8997 59 2.4863 21 2.5702 18 3.0568 52 2.824 54 2.824 55 2.8279 54 2.8279 55 2.6938 10 2.4975 21 42 Na ,Na 3.348 13 2.5847 11 2.4883 14 2.5395 26 3.2134 47 2.9958 49 3.1335 56 3.1335 57 3.1285 56 3.1285 57 3.2829 53 2.6935 19 2.5911 11 2.4771 14 43 Sr ,Ce 3.612 14 2.8563 11 2.5405 14 2.9572 26 2.9265 47 2.5162 49 2.7073 56 2.7073 57 3.3288 58 2.7066 56 2.7066 57 2.7836 53 2.6629 19 2.857 11 2.5391 14 44 Na ,Na 3.348 14 3.035 11 2.6124 14 3.1949 26 2.8008 47 2.257 49 2.4826 56 2.4826 57 3.2462 58 2.481 56 2.481 57 2.507 53 2.6778 19 3.0363 11 2.6097 14 45 Na ,Na 3.348 10 2.7926 15 3.2066 17 2.2762 20 3.0477 22 3.0083 23 2.2315 50 2.143 51 3.0107 23 2.79 15 3.0522 22 46 Na ,Na 3.348 10 2.9102 15 2.2839 16 2.8524 17 1.7745 50 2.3249 51 2.8518 17 3.2871 22 3.2196 23 2.909 15 3.2876 22 47 Cl ,Cl 4.344 24 3.7934 9 3.6154 11 4.3243 14 1.9514 49 3.5335 56 3.5335 57 0.6685 58 3.7934 9 3.7934 9 3.6154 11 3.6154 11 4.3243 14 4.3243 14 3.5335 56 3.5335 56 3.5335 57 3.5335 57 2.8048 53 3.6153 11 4.3243 14 3.6155 11 3.6153 11 4.3243 14 4.3241 14 48 Cl ,Cl 4.344 23 3.6169 10 4.2536 21 4.0242 25 0.3584 59 3.6167 10 3.6168 10 4.2536 21 4.2537 21 4.0242 25 4.0242 25 2.672 52 3.0595 54 3.0595 55 3.0595 54 3.0595 54 3.0595 55 3.0595 55 3.6169 10 4.2536 21 3.6167 10 3.6168 10 4.2536 21 4.2537 21 49 F ,F 3.768 9 1.9514 47 1.997 56 1.997 57 2.6199 58 1.997 56 1.997 56 1.997 57 1.997 57 0.8534 53 50 OH ,OH 3.852 7 2.6687 17 3.6472 23 1.6081 51 2.6687 17 2.6685 17 3.6471 23 3.6471 23 51 OH ,OH 3.852 4 2.2879 23 1.6081 50 2.2877 23 2.2877 23 52 OH ,OH 3.852 11 2.641 17 1.1625 54 1.1625 55 2.641 17 2.6409 17 1.1628 54 1.1625 54 1.1628 55 1.1625 55 2.6723 48 2.314 59 53 OH ,OH 3.852 12 3.0686 23 3.0684 23 3.0684 23 2.8045 47 0.8531 49 1.6327 56 1.6327 57 3.4731 58 1.6327 56 1.6327 56 1.6327 57 1.6327 57 54 H(2)O,H(2)O 3.972 16 2.4345 17 3.439 18 1.1625 52 3.9306 14 3.3138 17 2.4345 17 3.4394 18 1.9939 54 1.9939 54 1.9939 55 1.9939 55 3.0597 48 2.731 59 3.2666 21 3.9306 14 3.2666 21 55 H(2)O,H(2)O 3.972 16 2.4345 17 3.439 18 1.1625 52 3.9306 14 3.3138 17 2.4345 17 3.4394 18 1.9939 54 1.9939 54 1.9939 55 1.9939 55 3.0597 48 2.731 59 3.2666 21 3.9306 14 3.2666 21 56 H(2)O,H(2)O 3.972 16 2.9765 14 3.5335 47 1.997 49 2.7628 56 2.7628 56 2.7628 57 2.7628 57 2.7917 23 1.6327 53 3.3524 19 3.3522 19 3.5143 21 2.7916 23 3.8853 23 2.9764 14 3.5141 21 57 H(2)O,H(2)O 3.972 16 2.9765 14 3.5335 47 1.997 49 2.7628 56 2.7628 56 2.7628 57 2.7628 57 2.7917 23 1.6327 53 3.3524 19 3.3522 19 3.5143 21 2.7916 23 3.8853 23 2.9764 14 3.5141 21 58 H(2)O,H(2)O 3.972 12 3.2892 9 3.5275 11 0.6685 47 2.6199 49 3.2892 9 3.2892 9 3.5275 11 3.5275 11 3.4734 53 3.5274 11 3.5276 11 3.5274 11 59 H(2)O,H(2)O 3.972 14 3.7272 10 0.3584 48 3.7271 10 3.7272 10 2.3137 52 2.7308 54 2.7308 55 2.7308 54 2.7308 54 2.7308 55 2.7308 55 3.7272 10 3.7271 10 3.7272 10 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 0 1 4.495 8.99 0.044 322.67 6 46.7 15.1 2 0 0 3 5.112 10.224 0.05 248.91 2 170.0 51.4 3 1 0 -2 5.379 10.758 0.052 224.6 6 54.3 14.2 4 1 1 0 7.216 14.432 0.07 123.8 6 236.7 148.7 5 1 0 4 8.001 16.002 0.078 100.28 6 364.7 286.1 6 2 0 -1 8.514 17.028 0.083 88.3 6 224.5 95.4 7 1 1 3 8.859 17.718 0.086 81.39 12 109.6 41.9 8 2 0 2 9.017 18.035 0.088 78.48 6 389.4 255.2 9 1 0 -5 9.513 19.026 0.092 70.3 6 146.8 32.5 10 0 0 6 10.266 20.531 0.1 60.06 2 187.6 15.1 11 2 0 -4 10.806 21.613 0.105 53.99 6 38.9 1.7 12 2 1 1 11.196 22.391 0.109 50.16 12 47.3 4.8 13 2 1 -2 11.587 23.174 0.112 46.69 12 69.4 9.7 14 2 0 5 11.981 23.962 0.116 43.53 6 426.4 169.8 15 3 0 0 12.566 25.132 0.122 39.39 6 197.6 33.0 16 1 1 6 12.593 25.187 0.122 39.21 12 221.8 82.7 17 1 0 7 12.721 25.442 0.123 38.38 6 119.4 11.7 18 2 1 4 13.043 26.086 0.126 36.41 12 320.9 160.8 19 3 0 -3 13.598 27.196 0.131 33.34 6 44.3 1.4 20 3 0 3 13.598 27.196 0.131 33.34 6 431.0 132.8 21 2 1 -5 14.042 28.084 0.136 31.14 12 110.6 16.3 22 1 0 -8 14.385 28.77 0.139 29.58 6 282.7 50.7 23 2 2 0 14.55 29.1 0.14 28.87 6 568.8 200.2 24 2 0 -7 14.685 29.37 0.142 28.3 6 459.2 128.0 25 3 1 -1 15.258 30.515 0.147 26.08 12 496.6 275.8 26 2 2 3 15.459 30.919 0.149 25.35 12 72.3 5.7 27 0 0 9 15.505 31.01 0.149 25.19 2 209.5 7.9 28 3 1 2 15.554 31.107 0.15 25.02 12 256.1 70.4 29 2 0 8 16.164 32.328 0.156 23.03 6 695.1 238.6 30 3 0 -6 16.334 32.668 0.157 22.51 6 310.4 46.5 31 3 0 6 16.334 32.668 0.157 22.51 6 270.4 35.3 32 2 1 7 16.435 32.869 0.158 22.21 12 426.6 173.4 33 3 1 -4 16.691 33.381 0.161 21.48 12 71.9 4.8 34 4 0 1 16.954 33.908 0.163 20.76 6 45.7 0.9 35 1 1 9 17.179 34.358 0.165 20.17 12 312.6 84.6 36 4 0 -2 17.224 34.448 0.166 20.06 6 312.1 41.9 37 3 1 5 17.5 35.001 0.168 19.38 12 789.4 517.8 38 2 1 -8 17.783 35.566 0.171 18.71 12 193.7 30.1 39 1 0 10 17.803 35.606 0.171 18.66 6 30.2 0.4 40 2 2 6 17.94 35.879 0.172 18.35 12 351.0 96.9 41 4 0 4 18.269 36.537 0.175 17.64 6 1141.9 493.1 42 3 2 1 18.512 37.024 0.177 17.13 12 83.0 5.1 43 3 2 -2 18.763 37.525 0.18 16.63 12 152.2 16.5 44 4 0 -5 19.02 38.039 0.182 16.14 6 184.9 11.8 45 2 0 -10 19.302 38.604 0.185 15.62 6 491.5 80.9 46 4 1 0 19.411 38.821 0.186 15.43 12 215.4 30.7 47 3 1 -7 19.516 39.032 0.187 15.24 12 337.1 74.3 48 1 0 -11 19.553 39.106 0.187 15.18 6 108.3 3.8 49 3 2 4 19.737 39.474 0.189 14.87 12 332.0 70.3 50 4 1 -3 20.125 40.25 0.192 14.24 12 109.8 7.4 51 4 1 3 20.125 40.25 0.192 14.24 12 102.3 6.4 52 3 0 -9 20.161 40.323 0.193 14.18 6 705.1 151.2 53 3 0 9 20.161 40.323 0.193 14.18 6 226.2 15.6 54 3 2 -5 20.442 40.884 0.195 13.75 12 46.2 1.3 55 3 1 8 20.69 41.381 0.198 13.38 12 212.0 25.8 56 2 1 10 20.708 41.416 0.198 13.36 12 233.0 31.1 57 0 0 12 20.881 41.762 0.199 13.11 2 589.8 32.6 58 4 0 7 20.91 41.82 0.2 13.07 6 131.0 4.8 59 2 0 11 20.945 41.89 0.2 13.02 6 56.3 0.9 60 5 0 -1 21.335 42.67 0.203 12.5 6 430.9 49.8 61 2 2 9 21.521 43.042 0.205 12.25 12 185.6 18.1 62 5 0 2 21.558 43.116 0.205 12.21 6 106.9 3.0 63 4 0 -8 22.023 44.046 0.21 11.64 6 454.4 51.5 64 3 3 0 22.138 44.275 0.211 11.5 6 394.2 38.3 65 4 1 -6 22.154 44.309 0.211 11.48 12 194.1 18.5 66 4 1 6 22.154 44.309 0.211 11.48 12 129.8 8.3 67 1 1 12 22.204 44.409 0.211 11.42 12 50.0 1.2 68 3 2 7 22.232 44.464 0.212 11.39 12 123.9 7.5 69 2 1 -11 22.265 44.531 0.212 11.35 12 85.5 3.6 70 5 0 -4 22.431 44.862 0.213 11.16 6 35.8 0.3 71 4 2 -1 22.637 45.274 0.215 10.94 12 363.4 61.9 72 3 3 3 22.782 45.564 0.216 10.78 12 150.2 10.4 73 4 2 2 22.85 45.7 0.217 10.71 12 161.6 12.0 74 5 0 5 23.069 46.138 0.219 10.48 6 75.4 1.3 75 1 0 13 23.134 46.268 0.22 10.41 6 227.0 11.5 76 3 2 -8 23.295 46.589 0.221 10.25 12 187.5 15.5 77 3 1 -10 23.311 46.622 0.221 10.23 12 186.1 15.2 78 4 2 -4 23.686 47.371 0.225 9.87 12 72.4 2.2 79 5 1 1 23.883 47.766 0.226 9.69 12 235.5 23.0 80 5 1 -2 24.087 48.175 0.228 9.5 12 374.3 57.1 81 4 2 5 24.298 48.596 0.23 9.31 12 256.0 26.2 82 2 0 -13 24.36 48.72 0.231 9.26 6 99.9 2.0 83 4 0 10 24.53 49.061 0.232 9.12 6 722.2 102.0 84 3 3 6 24.636 49.271 0.233 9.03 12 179.1 12.4 85 3 0 -12 24.682 49.364 0.233 8.99 6 147.6 4.2 86 3 0 12 24.682 49.364 0.233 8.99 6 62.6 0.8 87 5 0 -7 24.707 49.415 0.234 8.97 6 304.4 17.8 88 3 1 11 24.738 49.476 0.234 8.94 12 319.2 39.1 89 5 1 4 24.891 49.783 0.235 8.82 12 381.7 55.1 90 1 0 -14 24.968 49.935 0.236 8.76 6 377.5 26.8 91 4 1 -9 25.246 50.492 0.238 8.54 12 163.4 9.8 92 4 1 9 25.246 50.492 0.238 8.54 12 29.7 0.3 93 5 1 -5 25.482 50.964 0.24 8.36 12 202.9 14.8 94 2 1 13 25.542 51.084 0.241 8.31 12 55.5 1.1 95 5 0 8 25.692 51.383 0.242 8.2 6 101.6 1.8 96 3 2 10 25.707 51.413 0.242 8.19 12 331.9 38.7 97 6 0 0 25.793 51.587 0.243 8.13 6 94.0 1.5 98 2 2 12 25.853 51.706 0.244 8.09 12 217.9 16.5 99 4 2 -7 25.878 51.755 0.244 8.07 12 285.5 28.2 100 4 0 -11 25.907 51.815 0.244 8.05 6 111.3 2.1 101 2 0 14 26.129 52.259 0.246 7.89 6 127.3 2.7 102 4 3 1 26.24 52.48 0.247 7.82 12 197.2 13.0 103 6 0 -3 26.369 52.739 0.248 7.73 6 315.6 16.5 104 6 0 3 26.369 52.739 0.248 7.73 6 84.0 1.2 105 4 3 -2 26.43 52.861 0.249 7.69 12 175.3 10.1 106 0 0 15 26.457 52.915 0.249 7.67 2 225.2 2.8 107 4 2 8 26.831 53.662 0.252 7.43 12 652.0 135.5 108 5 2 0 26.93 53.859 0.253 7.37 12 67.0 1.4 109 5 1 7 27.011 54.023 0.254 7.32 12 182.7 10.5 110 3 2 -11 27.04 54.08 0.254 7.3 12 131.6 5.4 111 4 3 4 27.184 54.368 0.255 7.21 12 169.3 8.9 112 2 1 -14 27.256 54.512 0.256 7.17 12 192.7 11.4 113 5 2 -3 27.489 54.978 0.258 7.03 12 160.3 7.8 114 5 2 3 27.489 54.978 0.258 7.03 12 28.7 0.2 115 3 3 9 27.517 55.035 0.258 7.02 12 421.2 53.4 116 1 1 15 27.574 55.149 0.259 6.98 12 184.1 10.2 117 4 3 -5 27.74 55.48 0.26 6.89 12 112.1 3.7 118 3 1 -13 27.797 55.593 0.261 6.86 12 287.0 24.2 119 5 1 -8 27.938 55.875 0.262 6.78 12 132.5 5.1 120 5 0 -10 27.952 55.903 0.262 6.77 6 44.9 0.3 121 6 0 -6 28.048 56.096 0.263 6.72 6 330.9 15.8 122 6 0 6 28.048 56.096 0.263 6.72 6 583.1 49.0 123 6 1 -1 28.456 56.912 0.266 6.5 12 289.3 23.3 124 6 1 2 28.636 57.273 0.268 6.41 12 188.8 9.8 125 1 0 16 28.733 57.467 0.269 6.36 6 310.4 13.1 126 4 0 13 28.878 57.757 0.27 6.29 6 64.3 0.6 127 4 2 -10 29.03 58.06 0.271 6.22 12 319.1 27.2 128 5 2 -6 29.124 58.247 0.272 6.17 12 406.2 43.7 129 5 2 6 29.124 58.247 0.272 6.17 12 205.3 11.2 130 4 1 -12 29.165 58.33 0.272 6.15 12 288.8 22.0 131 4 1 12 29.165 58.33 0.272 6.15 12 330.1 28.8 132 4 3 7 29.188 58.375 0.273 6.14 12 233.3 14.3 133 5 0 11 29.215 58.43 0.273 6.13 6 150.9 3.0 134 6 1 -4 29.352 58.704 0.274 6.06 12 197.3 10.1 135 3 1 14 29.42 58.84 0.275 6.03 12 91.7 2.2 136 3 0 -15 29.724 59.447 0.277 5.89 6 307.4 11.9 137 3 0 15 29.724 59.447 0.277 5.89 6 20.6 0.1 138 2 0 -16 29.794 59.587 0.278 5.86 6 347.6 15.2 139 6 1 5 29.881 59.762 0.278 5.82 12 249.9 15.6 140 3 2 13 29.935 59.871 0.279 5.8 12 134.0 4.5 141 4 3 -8 30.07 60.14 0.28 5.74 12 88.0 1.9 142 5 1 10 30.083 60.167 0.28 5.74 12 323.2 25.7 143 4 4 0 30.162 60.323 0.281 5.7 6 1104.0 149.1 144 4 2 11 30.265 60.529 0.282 5.66 12 371.3 33.5 145 4 0 -14 30.465 60.93 0.283 5.58 6 698.9 58.4 146 5 3 -1 30.565 61.13 0.284 5.54 12 268.1 17.1 147 7 0 1 30.565 61.13 0.284 5.54 6 91.7 1.0 148 1 0 -17 30.672 61.343 0.285 5.5 6 51.1 0.3 149 4 4 3 30.683 61.365 0.285 5.49 12 48.1 0.5 150 6 0 -9 30.709 61.418 0.285 5.48 6 66.7 0.5 151 6 0 9 30.709 61.418 0.285 5.48 6 181.4 3.9 152 5 3 2 30.738 61.476 0.286 5.47 12 151.2 5.4 153 7 0 -2 30.738 61.476 0.286 5.47 6 50.1 0.3 154 2 2 15 30.762 61.525 0.286 5.46 12 296.2 20.5 155 2 1 16 30.831 61.662 0.286 5.43 12 50.1 0.6 156 3 3 12 31.245 62.489 0.29 5.28 12 236.0 12.6 157 6 1 -7 31.266 62.533 0.29 5.27 12 30.1 0.2 158 5 1 -11 31.293 62.586 0.29 5.26 12 64.7 0.9 159 5 3 -4 31.424 62.848 0.291 5.21 12 166.3 6.2 160 7 0 4 31.424 62.848 0.291 5.21 6 397.8 17.7 161 3 2 -14 31.49 62.979 0.292 5.19 12 325.9 23.6 162 6 2 1 31.588 63.175 0.293 5.15 12 281.8 17.5 163 2 0 17 31.692 63.384 0.294 5.11 6 239.8 6.3 164 5 2 -9 31.729 63.458 0.294 5.1 12 45.8 0.5 165 5 2 9 31.729 63.458 0.294 5.1 12 74.6 1.2 166 6 2 -2 31.757 63.514 0.294 5.09 12 416.7 37.9 167 5 3 5 31.933 63.866 0.296 5.03 12 46.6 0.5 168 7 0 -5 31.933 63.866 0.296 5.03 6 384.4 15.9 169 5 0 -13 31.985 63.97 0.296 5.01 6 142.1 2.2 170 6 1 8 32.115 64.229 0.297 4.97 12 46.3 0.5 171 4 3 10 32.128 64.255 0.297 4.96 12 84.3 1.5 172 4 4 6 32.216 64.432 0.298 4.93 12 585.9 72.6 173 0 0 18 32.319 64.639 0.299 4.9 2 568.1 11.3 174 6 2 4 32.431 64.862 0.3 4.86 12 185.9 7.2 175 2 1 -17 32.695 65.39 0.302 4.78 12 56.3 0.6 176 3 1 -16 32.849 65.697 0.303 4.73 12 255.2 13.2 177 6 2 -5 32.932 65.863 0.304 4.71 12 426.5 36.7 178 4 2 -13 32.983 65.965 0.304 4.69 12 296.1 17.6 179 7 1 0 33.197 66.395 0.306 4.63 12 124.7 3.1 180 5 3 -7 33.269 66.539 0.307 4.6 12 63.1 0.8 181 7 0 7 33.269 66.539 0.307 4.6 6 85.7 0.7 182 4 3 -11 33.295 66.59 0.307 4.6 12 87.3 1.5 183 1 1 18 33.312 66.624 0.307 4.59 12 356.8 25.1 184 5 0 14 33.485 66.971 0.308 4.54 6 179.5 3.1 185 7 1 -3 33.692 67.384 0.31 4.48 12 310.6 18.6 186 7 1 3 33.692 67.384 0.31 4.48 12 124.4 3.0 187 4 1 -15 33.768 67.536 0.311 4.46 12 24.9 0.1 188 4 1 15 33.768 67.536 0.311 4.46 12 144.7 4.0 189 4 0 16 33.833 67.666 0.311 4.44 6 963.9 88.5 190 5 1 13 33.965 67.93 0.312 4.41 12 50.1 0.5 191 5 3 8 34.091 68.182 0.313 4.37 12 178.8 6.0 192 7 0 -8 34.091 68.182 0.313 4.37 6 239.6 5.4 193 6 1 -10 34.104 68.207 0.313 4.37 12 407.7 31.2 194 6 0 -12 34.227 68.454 0.314 4.34 6 85.2 0.7 195 6 0 12 34.227 68.454 0.314 4.34 6 236.8 5.2 196 6 2 7 34.248 68.496 0.315 4.33 12 390.0 28.3 197 4 2 14 34.461 68.921 0.316 4.28 12 357.9 23.5 198 5 4 1 34.554 69.109 0.317 4.25 12 71.3 0.9 199 3 1 17 34.654 69.309 0.318 4.23 12 78.7 1.1 200 1 0 19 34.679 69.359 0.318 4.22 6 163.0 2.4 201 4 4 9 34.69 69.379 0.318 4.22 12 61.3 0.7 202 5 4 -2 34.716 69.433 0.318 4.21 12 77.2 1.1 203 3 2 16 34.804 69.608 0.319 4.19 12 481.3 41.6 204 6 2 -8 35.058 70.117 0.321 4.13 12 66.8 0.8 205 6 3 0 35.143 70.286 0.322 4.11 12 278.0 13.6 206 7 1 -6 35.155 70.311 0.322 4.11 12 148.4 3.9 207 7 1 6 35.155 70.311 0.322 4.11 12 33.3 0.2 208 5 2 -12 35.193 70.385 0.322 4.1 12 172.3 5.2 209 5 2 12 35.193 70.385 0.322 4.1 12 337.6 20.0 210 6 1 11 35.238 70.476 0.323 4.09 12 54.2 0.5 211 3 0 -18 35.255 70.509 0.323 4.08 6 156.2 2.1 212 3 0 18 35.255 70.509 0.323 4.08 6 171.9 2.6 213 5 4 4 35.362 70.723 0.324 4.06 12 400.4 27.9 214 5 1 -14 35.424 70.847 0.324 4.05 12 503.2 43.9 215 8 0 -1 35.516 71.032 0.325 4.03 6 219.9 4.2 216 4 0 -17 35.615 71.229 0.326 4.0 6 64.7 0.4 217 6 3 -3 35.625 71.25 0.326 4.0 12 134.4 3.1 218 6 3 3 35.625 71.25 0.326 4.0 12 103.5 1.8 219 2 0 -19 35.639 71.279 0.326 4.0 6 17.1 0.0 220 8 0 2 35.676 71.352 0.326 3.99 6 483.9 20.0 221 3 3 15 35.699 71.398 0.326 3.98 12 67.6 0.8 222 5 4 -5 35.842 71.684 0.327 3.95 12 59.1 0.6 223 4 3 13 35.891 71.783 0.328 3.94 12 343.5 20.0 224 5 3 -10 36.026 72.053 0.329 3.91 12 92.4 1.4 225 7 0 10 36.026 72.053 0.329 3.91 6 74.3 0.5 226 2 2 18 36.208 72.416 0.33 3.88 12 259.1 11.2 227 8 0 -4 36.314 72.628 0.331 3.85 6 336.3 9.3 228 7 2 -1 36.467 72.933 0.332 3.82 12 162.5 4.3 229 3 2 -17 36.564 73.129 0.333 3.8 12 33.1 0.2 230 2 1 19 36.589 73.178 0.333 3.8 12 76.6 1.0 231 7 2 2 36.625 73.25 0.333 3.79 12 265.8 11.5 232 5 0 -16 36.71 73.421 0.334 3.78 6 398.2 12.8 233 1 0 -20 36.759 73.518 0.335 3.77 6 263.0 5.6 234 8 0 5 36.789 73.579 0.335 3.76 6 28.6 0.1 235 6 2 10 36.972 73.943 0.336 3.73 12 301.2 14.5 236 6 3 -6 37.055 74.109 0.337 3.71 12 144.9 3.3 237 6 3 6 37.055 74.109 0.337 3.71 12 231.3 8.5 238 5 4 7 37.111 74.222 0.337 3.7 12 286.5 13.0 239 5 3 11 37.135 74.271 0.337 3.69 12 485.3 37.3 240 7 0 -11 37.135 74.271 0.337 3.69 6 290.4 6.7 241 7 2 -4 37.257 74.513 0.338 3.67 12 254.2 10.2 242 4 3 -14 37.317 74.634 0.339 3.66 12 273.8 11.8 243 7 1 -9 37.539 75.077 0.341 3.62 12 123.6 2.4 244 7 1 9 37.539 75.077 0.341 3.62 12 149.5 3.5 245 4 2 -16 37.649 75.299 0.341 3.6 12 486.6 36.6 246 2 0 20 37.698 75.395 0.342 3.59 6 180.7 2.5 247 7 2 5 37.728 75.455 0.342 3.59 12 268.2 11.1 248 6 1 -13 37.776 75.552 0.342 3.58 12 21.0 0.1 249 5 4 -8 37.896 75.792 0.343 3.56 12 120.9 2.2 250 4 4 12 38.026 76.053 0.344 3.54 12 305.4 14.2 251 8 0 -7 38.046 76.093 0.345 3.54 6 29.5 0.1 252 6 2 -11 38.071 76.141 0.345 3.53 12 181.8 5.0 253 8 1 1 38.34 76.681 0.347 3.49 12 194.7 5.7 254 5 0 17 38.436 76.873 0.347 3.47 6 105.2 0.8 255 3 1 -19 38.46 76.921 0.348 3.47 12 248.9 9.2 256 8 1 -2 38.496 76.992 0.348 3.46 12 111.1 1.8 257 6 0 -15 38.518 77.037 0.348 3.46 6 243.3 4.4 258 6 0 15 38.518 77.037 0.348 3.46 6 420.1 13.1 259 5 1 16 38.58 77.16 0.349 3.45 12 199.6 5.9 260 0 0 21 38.59 77.18 0.349 3.45 2 426.2 4.5 261 2 1 -20 38.628 77.256 0.349 3.44 12 345.2 17.6 262 8 0 8 38.825 77.65 0.35 3.42 6 599.6 26.3 263 5 5 0 38.907 77.813 0.351 3.4 6 654.4 31.3 264 7 2 -7 38.974 77.948 0.352 3.39 12 184.9 5.0 265 4 1 -18 39.014 78.028 0.352 3.39 12 140.8 2.9 266 4 1 18 39.014 78.028 0.352 3.39 12 114.6 1.9 267 8 1 4 39.117 78.235 0.353 3.37 12 36.7 0.2 268 6 1 14 39.177 78.354 0.353 3.36 12 26.9 0.1 269 6 4 -1 39.266 78.532 0.354 3.35 12 415.5 24.8 270 4 2 17 39.361 78.723 0.355 3.34 12 64.1 0.6 271 5 5 3 39.371 78.742 0.355 3.34 12 93.4 1.2 272 4 0 19 39.385 78.771 0.355 3.34 6 129.0 1.2 273 6 3 -9 39.395 78.79 0.355 3.33 12 84.8 1.0 274 6 3 9 39.395 78.79 0.355 3.33 12 156.2 3.5 275 6 4 2 39.421 78.842 0.355 3.33 12 358.0 18.3 276 5 2 -15 39.443 78.885 0.355 3.33 12 395.0 22.3 277 5 2 15 39.443 78.885 0.355 3.33 12 194.4 5.4 278 1 1 21 39.514 79.028 0.356 3.32 12 77.3 0.9 279 8 1 -5 39.581 79.162 0.356 3.31 12 472.0 31.6 280 5 3 -13 39.629 79.258 0.357 3.3 12 168.5 4.0 281 7 0 13 39.629 79.258 0.357 3.3 6 259.3 4.8 282 7 2 8 39.747 79.495 0.357 3.29 12 14.2 0.0 283 5 4 10 39.759 79.519 0.358 3.29 12 82.7 1.0 284 6 4 -4 40.038 80.076 0.36 3.25 12 83.0 1.0 285 7 3 1 40.186 80.371 0.361 3.23 12 265.7 9.8 286 5 1 -17 40.28 80.561 0.361 3.22 12 150.9 3.1 287 3 2 19 40.304 80.608 0.362 3.22 12 154.0 3.3 288 7 3 -2 40.339 80.679 0.362 3.21 12 45.2 0.3 289 4 3 16 40.422 80.845 0.362 3.2 12 195.8 5.3 290 3 1 20 40.47 80.939 0.363 3.2 12 280.6 10.8 291 6 4 5 40.499 80.998 0.363 3.19 12 79.3 0.9 292 6 2 13 40.546 81.093 0.363 3.19 12 25.8 0.1 293 8 0 -10 40.676 81.352 0.364 3.17 6 757.7 39.1 294 9 0 0 40.745 81.49 0.365 3.17 6 57.7 0.2 295 5 5 6 40.757 81.513 0.365 3.16 12 679.8 62.7 296 7 1 -12 40.792 81.584 0.365 3.16 12 48.0 0.3 297 7 1 12 40.792 81.584 0.365 3.16 12 164.0 3.6 298 8 1 7 40.812 81.623 0.365 3.16 12 241.1 7.9 299 5 4 -11 40.835 81.671 0.366 3.16 12 124.5 2.1 300 3 3 18 40.851 81.702 0.366 3.15 12 125.8 2.1 301 7 3 4 40.953 81.906 0.366 3.14 12 99.6 1.3 302 5 3 14 41.012 82.024 0.367 3.14 12 164.5 3.6 303 7 0 -14 41.012 82.024 0.367 3.14 6 237.6 3.8 304 1 0 22 41.106 82.213 0.368 3.13 6 67.8 0.3 305 9 0 -3 41.204 82.409 0.368 3.12 6 23.7 0.0 306 9 0 3 41.204 82.409 0.368 3.12 6 146.6 1.4 307 3 0 -21 41.346 82.691 0.369 3.1 6 676.4 30.4 308 3 0 21 41.346 82.691 0.369 3.1 6 153.9 1.6 309 4 0 -20 41.383 82.766 0.37 3.1 6 679.3 30.7 310 7 3 -5 41.412 82.824 0.37 3.09 12 102.5 1.4 311 8 1 -8 41.577 83.153 0.371 3.08 12 84.3 0.9 312 7 2 -10 41.588 83.177 0.371 3.08 12 200.6 5.3 313 8 2 0 41.657 83.314 0.372 3.07 12 495.5 32.3 314 6 4 -7 41.723 83.447 0.372 3.06 12 419.7 23.1 315 8 0 11 41.747 83.494 0.372 3.06 6 39.7 0.1 316 6 2 -14 41.923 83.846 0.373 3.05 12 333.0 14.5 317 2 0 -22 42.017 84.034 0.374 3.04 6 376.9 9.2 318 4 3 -17 42.105 84.21 0.375 3.03 12 162.5 3.4 319 8 2 -3 42.115 84.229 0.375 3.03 12 50.1 0.3 320 8 2 3 42.115 84.229 0.375 3.03 12 365.3 17.3 321 5 0 -19 42.128 84.257 0.375 3.03 6 454.1 13.4 322 4 4 15 42.185 84.37 0.375 3.02 12 95.1 1.2 323 6 1 -16 42.246 84.491 0.376 3.02 12 156.7 3.2 324 2 2 21 42.255 84.511 0.376 3.02 12 263.6 9.0 325 3 2 -20 42.292 84.585 0.376 3.01 12 68.1 0.6 326 6 4 8 42.486 84.971 0.378 3.0 12 243.1 7.6 327 9 0 -6 42.577 85.155 0.378 2.99 6 153.8 1.5 328 9 0 6 42.577 85.155 0.378 2.99 6 122.5 1.0 329 6 3 -12 42.612 85.225 0.378 2.98 12 169.1 3.7 330 6 3 12 42.612 85.225 0.378 2.98 12 53.0 0.4 331 7 3 7 42.632 85.264 0.379 2.98 12 207.9 5.5 332 7 2 11 42.655 85.311 0.379 2.98 12 37.4 0.2 333 2 1 22 42.925 85.849 0.381 2.96 12 204.4 5.3 334 4 2 -19 43.036 86.071 0.381 2.95 12 56.1 0.4 335 5 5 9 43.045 86.091 0.382 2.95 12 27.7 0.1 336 5 4 13 43.275 86.55 0.383 2.93 12 143.7 2.6 337 7 3 -8 43.392 86.784 0.384 2.93 12 41.8 0.2 338 1 0 -23 43.392 86.784 0.384 2.93 6 19.5 0.0 339 8 1 10 43.404 86.807 0.384 2.92 12 164.7 3.4 340 8 2 -6 43.483 86.967 0.385 2.92 12 263.5 8.7 341 8 2 6 43.483 86.967 0.385 2.92 12 101.5 1.3 342 6 0 -18 43.577 87.154 0.385 2.91 6 595.8 22.2 343 6 0 18 43.577 87.154 0.385 2.91 6 157.3 1.5 344 6 5 1 43.824 87.648 0.387 2.9 12 4.2 0.0 345 9 1 -1 43.824 87.648 0.387 2.9 12 116.1 1.7 346 6 1 17 43.918 87.835 0.388 2.89 12 137.1 2.3 347 5 1 19 43.941 87.882 0.388 2.89 12 93.8 1.1 348 6 5 -2 43.976 87.952 0.388 2.89 12 73.1 0.7 349 9 1 2 43.976 87.952 0.388 2.89 12 364.6 16.5 350 5 3 -16 44.058 88.115 0.389 2.88 12 27.5 0.1 351 7 0 16 44.058 88.115 0.389 2.88 6 26.0 0.0 352 5 0 20 44.104 88.209 0.389 2.88 6 93.7 0.5 353 8 0 -13 44.18 88.36 0.39 2.87 6 283.1 4.9 354 2 0 23 44.297 88.594 0.39 2.87 6 36.8 0.1 355 6 4 -10 44.308 88.617 0.39 2.87 12 251.4 7.8 356 7 4 0 44.376 88.753 0.391 2.86 12 4.8 0.0 357 8 1 -11 44.466 88.932 0.392 2.86 12 148.8 2.7 358 5 2 -18 44.482 88.963 0.392 2.86 12 181.8 4.0 359 5 2 18 44.482 88.963 0.392 2.86 12 64.0 0.5 360 6 5 4 44.583 89.165 0.392 2.85 12 193.2 4.6 361 9 1 -4 44.583 89.165 0.392 2.85 12 48.6 0.3 362 5 4 -14 44.641 89.282 0.393 2.85 12 147.5 2.7 363 3 1 -22 44.734 89.469 0.393 2.84 12 210.7 5.4 364 7 4 -3 44.831 89.663 0.394 2.84 12 437.7 23.3 365 7 4 3 44.831 89.663 0.394 2.84 12 115.7 1.6 366 9 0 -9 44.855 89.71 0.394 2.84 6 375.9 8.6 367 9 0 9 44.855 89.71 0.394 2.84 6 154.5 1.5 368 7 1 -15 44.902 89.803 0.395 2.83 12 107.0 1.4 369 7 1 15 44.902 89.803 0.395 2.83 12 86.0 0.9 370 6 2 16 44.962 89.924 0.395 2.83 12 316.5 12.2 371 4 1 -21 44.972 89.943 0.395 2.83 12 219.2 5.8 372 4 1 21 44.972 89.943 0.395 2.83 12 51.2 0.3 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 0 1 4.495 8.99 11.41358 15.1 2.9 3.0 5.6 2 0 0 3 5.112 10.224 10.0381 51.4 9.9 10.1 5.6 3 1 0 2 5.379 10.758 9.54137 14.2 2.7 2.8 5.6 4 1 1 0 7.216 14.432 7.1209 148.7 28.7 29.2 5.6 5 1 0 4 8.001 16.002 6.42602 286.1 55.2 56.1 5.6 6 2 0 1 8.514 17.028 6.0415 95.4 18.4 18.7 5.6 7 1 1 3 8.859 17.718 5.80794 41.9 8.1 8.2 5.6 8 2 0 2 9.017 18.035 5.70679 255.2 49.3 49.9 5.6 9 1 0 5 9.513 19.026 5.41205 32.5 6.3 6.3 5.6 10 0 0 6 10.266 20.531 5.01905 15.1 2.9 3.0 5.6 11 2 1 2 11.587 23.174 4.45318 9.7 1.9 1.9 5.6 12 2 0 5 11.981 23.962 4.30882 169.8 32.8 33.1 5.6 13 1 1 6 12.593 25.187 4.10243 115.7 22.4 22.5 5.6 14 1 0 7 12.721 25.442 4.06203 11.7 2.3 2.3 5.6 15 2 1 4 13.043 26.086 3.96342 160.8 31.1 31.3 5.6 16 3 0 3 13.598 27.196 3.80453 134.2 25.9 26.1 5.6 17 2 1 5 14.042 28.084 3.68647 16.3 3.2 3.2 5.6 18 1 0 8 14.385 28.77 3.60034 50.7 9.8 9.8 5.6 19 2 2 0 14.55 29.1 3.56045 200.2 38.7 38.9 5.6 20 2 0 7 14.685 29.37 3.52834 128.0 24.7 24.8 5.6 21 3 1 1 15.258 30.515 3.39891 275.8 53.3 53.5 5.6 22 2 2 3 15.459 30.919 3.35562 5.7 1.1 1.1 5.6 23 0 0 9 15.505 31.01 3.34603 7.9 1.5 1.5 5.6 24 3 1 2 15.554 31.107 3.33577 70.4 13.6 13.6 5.6 25 2 0 8 16.164 32.328 3.21301 238.6 46.1 46.2 5.6 26 3 0 6 16.334 32.668 3.18046 81.8 15.8 15.8 5.6 27 2 1 7 16.435 32.869 3.16152 173.4 33.5 33.5 5.6 28 1 1 9 17.179 34.358 3.02837 84.6 16.3 16.3 5.7 29 4 0 2 17.224 34.448 3.02075 41.9 8.1 8.1 5.7 30 3 1 5 17.5 35.001 2.97449 517.8 100.0 100.0 5.7 31 2 1 8 17.783 35.566 2.92869 30.5 5.9 5.9 5.7 32 2 2 6 17.94 35.879 2.90397 96.9 18.7 18.7 5.7 33 4 0 4 18.269 36.537 2.85339 493.1 95.2 95.1 5.7 34 3 2 2 18.763 37.525 2.78088 16.5 3.2 3.2 5.7 35 4 0 5 19.02 38.039 2.74466 11.8 2.3 2.3 5.7 36 2 0 10 19.302 38.604 2.70603 80.9 15.6 15.6 5.7 37 4 1 0 19.411 38.821 2.69145 30.7 5.9 5.9 5.7 38 3 1 7 19.516 39.032 2.6775 74.3 14.4 14.3 5.7 39 3 2 4 19.737 39.474 2.64866 70.3 13.6 13.5 5.7 40 4 1 3 20.125 40.25 2.59963 13.7 2.7 2.6 5.7 41 3 0 9 20.161 40.323 2.59516 166.7 32.2 32.0 5.7 42 2 1 10 20.708 41.416 2.52954 56.9 11.0 10.9 5.7 43 0 0 12 20.881 41.762 2.50953 32.6 6.3 6.3 5.7 44 5 0 1 21.335 42.67 2.45852 49.8 9.6 9.5 5.7 45 2 2 9 21.521 43.042 2.43828 18.1 3.5 3.5 5.7 46 4 0 8 22.023 44.046 2.38534 51.5 9.9 9.9 5.7 47 3 3 0 22.138 44.275 2.37363 65.2 12.6 12.5 5.7 48 3 2 7 22.232 44.464 2.36405 8.7 1.7 1.7 5.7 49 4 2 1 22.637 45.274 2.32391 61.9 12.0 11.8 5.7 50 3 3 3 22.782 45.564 2.30993 10.4 2.0 2.0 5.7 51 4 2 2 22.85 45.7 2.30343 12.0 2.3 2.3 5.7 52 1 0 13 23.134 46.268 2.27668 11.5 2.2 2.2 5.7 53 3 2 8 23.295 46.589 2.26182 30.6 5.9 5.8 5.7 54 5 1 1 23.883 47.766 2.20924 23.0 4.5 4.4 5.7 55 5 1 2 24.087 48.175 2.19162 57.1 11.0 10.9 5.7 56 4 2 5 24.298 48.596 2.17376 26.2 5.1 5.0 5.7 57 4 0 10 24.53 49.061 2.15441 102.0 19.7 19.4 5.7 58 3 3 6 24.636 49.271 2.14577 12.4 2.4 2.4 5.7 59 5 0 7 24.707 49.415 2.13993 22.8 4.4 4.3 5.7 60 3 1 11 24.738 49.476 2.13744 39.1 7.5 7.4 5.7 61 5 1 4 24.891 49.783 2.12512 55.1 10.6 10.5 5.7 62 1 0 14 24.968 49.935 2.11904 26.8 5.2 5.1 5.7 63 4 1 9 25.246 50.492 2.09719 10.1 2.0 1.9 5.8 64 5 1 5 25.482 50.964 2.07904 14.8 2.9 2.8 5.8 65 3 2 10 25.707 51.413 2.0621 40.5 7.8 7.7 5.8 66 4 2 7 25.878 51.755 2.04939 44.7 8.6 8.5 5.8 67 4 3 1 26.24 52.48 2.02308 13.0 2.5 2.5 5.8 68 6 0 3 26.369 52.739 2.01383 17.7 3.4 3.4 5.8 69 4 3 2 26.43 52.861 2.00952 12.9 2.5 2.4 5.8 70 4 2 8 26.831 53.662 1.98171 135.5 26.2 25.6 5.8 71 5 1 7 27.011 54.023 1.96945 15.9 3.1 3.0 5.8 72 4 3 4 27.184 54.368 1.95789 8.9 1.7 1.7 5.8 73 2 1 14 27.256 54.512 1.95313 11.4 2.2 2.2 5.8 74 3 3 9 27.517 55.035 1.93598 61.4 11.9 11.6 5.8 75 1 1 15 27.574 55.149 1.93229 10.2 2.0 1.9 5.8 76 3 1 13 27.797 55.593 1.91807 24.2 4.7 4.6 5.8 77 5 1 8 27.938 55.875 1.90916 5.4 1.0 1.0 5.8 78 6 0 6 28.048 56.096 1.90226 64.8 12.5 12.2 5.8 79 6 1 1 28.456 56.912 1.87722 23.3 4.5 4.4 5.8 80 6 1 2 28.636 57.273 1.86638 9.8 1.9 1.8 5.8 81 1 0 16 28.733 57.467 1.8606 13.1 2.5 2.5 5.8 82 4 2 10 29.03 58.06 1.84324 27.2 5.2 5.1 5.8 83 5 2 6 29.124 58.247 1.83782 54.8 10.6 10.3 5.8 84 4 1 12 29.165 58.33 1.83545 65.1 12.6 12.2 5.8 85 6 1 4 29.352 58.704 1.82479 10.1 2.0 1.9 5.8 86 3 0 15 29.724 59.447 1.80402 12.0 2.3 2.3 5.8 87 2 0 16 29.794 59.587 1.80017 15.2 2.9 2.9 5.8 88 6 1 5 29.881 59.762 1.79537 15.6 3.0 2.9 5.8 89 5 1 10 30.083 60.167 1.78442 27.6 5.3 5.2 5.8 90 4 4 0 30.162 60.323 1.78023 149.1 28.8 28.0 5.8 91 4 2 11 30.265 60.529 1.77474 33.5 6.5 6.3 5.8 92 4 0 14 30.465 60.93 1.76417 58.4 11.3 10.9 5.8 93 5 3 1 30.565 61.13 1.75896 18.1 3.5 3.4 5.8 94 2 2 15 30.762 61.525 1.74877 30.1 5.8 5.6 5.8 95 3 3 12 31.245 62.489 1.72445 12.8 2.5 2.4 5.8 96 7 0 4 31.424 62.848 1.71561 23.9 4.6 4.5 5.9 97 3 2 14 31.49 62.979 1.7124 23.6 4.6 4.4 5.9 98 6 2 1 31.588 63.175 1.70763 17.5 3.4 3.3 5.9 99 2 0 17 31.692 63.384 1.70258 6.3 1.2 1.2 5.9 100 6 2 2 31.757 63.514 1.69946 39.1 7.6 7.3 5.9 101 7 0 5 31.933 63.866 1.69109 15.9 3.1 3.0 5.9 102 4 4 6 32.216 64.432 1.67781 72.6 14.0 13.5 5.9 103 0 0 18 32.319 64.639 1.67302 11.3 2.2 2.1 5.9 104 6 2 4 32.431 64.862 1.66788 7.2 1.4 1.3 5.9 105 3 1 16 32.849 65.697 1.64902 13.2 2.6 2.5 5.9 106 6 2 5 32.932 65.863 1.64533 36.7 7.1 6.8 5.9 107 4 2 13 32.983 65.965 1.64306 17.6 3.4 3.3 5.9 108 1 1 18 33.312 66.624 1.62867 26.6 5.1 4.9 5.9 109 7 1 3 33.692 67.384 1.61243 21.5 4.2 4.0 5.9 110 4 0 16 33.833 67.666 1.6065 88.5 17.1 16.4 5.9 111 6 1 10 34.104 68.207 1.59528 42.5 8.2 7.9 5.9 112 6 2 7 34.248 68.496 1.58938 33.5 6.5 6.2 5.9 113 4 2 14 34.461 68.921 1.58076 23.5 4.5 4.3 5.9 114 3 2 16 34.804 69.608 1.56712 41.6 8.0 7.7 5.9 115 6 3 0 35.143 70.286 1.55391 17.7 3.4 3.3 5.9 116 5 2 12 35.193 70.385 1.552 25.3 4.9 4.7 5.9 117 5 4 4 35.362 70.723 1.54554 27.9 5.4 5.1 5.9 118 5 1 14 35.424 70.847 1.5432 43.9 8.5 8.1 5.9 119 8 0 2 35.676 71.352 1.5337 20.8 4.0 3.8 5.9 120 4 3 13 35.891 71.783 1.52573 20.0 3.9 3.7 5.9 121 2 2 18 36.208 72.416 1.51418 11.2 2.2 2.0 5.9 122 8 0 4 36.314 72.628 1.51038 9.3 1.8 1.7 6.0 123 7 2 2 36.625 73.25 1.49932 11.5 2.2 2.1 6.0 124 5 0 16 36.71 73.421 1.49632 12.8 2.5 2.4 6.0 125 1 0 20 36.759 73.518 1.49462 5.6 1.1 1.0 6.0 126 6 2 10 36.972 73.943 1.48724 14.5 2.8 2.7 6.0 127 6 3 6 37.055 74.109 1.48439 11.9 2.3 2.2 6.0 128 5 3 11 37.135 74.271 1.48163 57.0 11.0 10.4 6.0 129 7 2 4 37.257 74.513 1.47751 10.2 2.0 1.9 6.0 130 4 3 14 37.317 74.634 1.47546 11.8 2.3 2.2 6.0 131 7 1 9 37.539 75.077 1.46802 5.8 1.1 1.1 6.0 132 4 2 16 37.649 75.299 1.46434 36.6 7.1 6.7 6.0 133 7 2 5 37.728 75.455 1.46176 11.1 2.1 2.0 6.0 134 4 4 12 38.026 76.053 1.45199 14.2 2.7 2.6 6.0 135 8 1 1 38.34 76.681 1.4419 5.7 1.1 1.0 6.0 136 3 1 19 38.46 76.921 1.4381 9.2 1.8 1.7 6.0 137 6 0 15 38.518 77.037 1.43627 19.3 3.7 3.5 6.0 138 5 1 16 38.58 77.16 1.43433 10.4 2.0 1.9 6.0 139 2 1 20 38.628 77.256 1.43283 17.6 3.4 3.2 6.0 140 8 0 8 38.825 77.65 1.4267 26.3 5.1 4.8 6.0 141 5 5 0 38.907 77.813 1.42418 31.3 6.0 5.7 6.0 142 6 4 1 39.266 78.532 1.41322 24.8 4.8 4.5 6.0 143 6 3 9 39.395 78.79 1.40935 7.0 1.3 1.3 6.0 144 5 2 15 39.443 78.885 1.40792 46.0 8.9 8.3 6.0 145 8 1 5 39.581 79.162 1.4038 31.6 6.1 5.7 6.0 146 7 0 13 39.629 79.258 1.40239 8.8 1.7 1.6 6.0 147 7 3 1 40.186 80.371 1.38619 9.8 1.9 1.8 6.0 148 3 2 19 40.304 80.608 1.3828 6.4 1.2 1.2 6.1 149 4 3 16 40.422 80.845 1.37945 5.3 1.0 1.0 6.1 150 3 1 20 40.47 80.939 1.37812 11.7 2.3 2.1 6.1 151 8 0 10 40.676 81.352 1.37233 39.1 7.5 7.0 6.1 152 5 5 6 40.757 81.513 1.37009 62.7 12.1 11.3 6.1 153 8 1 7 40.812 81.623 1.36857 11.5 2.2 2.1 6.1 154 7 0 14 41.012 82.024 1.36305 7.4 1.4 1.3 6.1 155 3 0 21 41.346 82.691 1.35401 32.0 6.2 5.8 6.1 156 4 0 20 41.383 82.766 1.35301 32.0 6.2 5.8 6.1 157 7 2 10 41.588 83.177 1.34753 5.3 1.0 1.0 6.1 158 8 2 0 41.657 83.314 1.34572 32.3 6.2 5.8 6.1 159 6 4 7 41.723 83.447 1.34397 23.3 4.5 4.2 6.1 160 6 2 14 41.923 83.846 1.33875 14.5 2.8 2.6 6.1 161 2 0 22 42.017 84.034 1.33631 9.2 1.8 1.7 6.1 162 5 0 19 42.128 84.257 1.33344 34.5 6.7 6.2 6.1 163 2 2 21 42.255 84.511 1.33018 12.2 2.3 2.2 6.1 164 6 4 8 42.486 84.971 1.32433 7.6 1.5 1.4 6.1 165 7 3 7 42.632 85.264 1.32065 9.5 1.8 1.7 6.1 166 2 1 22 42.925 85.849 1.31338 5.3 1.0 0.9 6.1 167 8 2 6 43.483 86.967 1.29981 10.0 1.9 1.8 6.1 168 6 0 18 43.577 87.154 1.29758 23.7 4.6 4.2 6.2 169 9 1 2 43.976 87.952 1.28819 16.5 3.2 2.9 6.2 170 6 4 10 44.308 88.617 1.28051 7.8 1.5 1.4 6.2 171 5 2 18 44.482 88.963 1.27656 7.3 1.4 1.3 6.2 172 3 1 22 44.734 89.469 1.27086 5.4 1.0 1.0 6.2 173 7 4 3 44.831 89.663 1.2687 35.0 6.8 6.2 6.2 174 6 2 16 44.962 89.924 1.2658 18.3 3.5 3.2 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) |