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 *** *********************** SILICATE_BA_TI 1 BaTiSi(2)O(7) Monoclinic P 2(1)/n Z = 4 R =0.0418 8 .5 .18 Ref.Str.: A. Viani, A. Palermo, S. Zanardi, N. Demitri et al. (2015) * Acta Crist., B71, N2 R: N.A.D. Initial data from BDM-file Lattice parameters (cub. angs.,degr.): a = 7.9836 alpha = 90.0 b = 10.0084 beta = 100.32 c = 7.4795 gamma = 90.0 Unit cell volume (cub. angs.) = 587.96 Molar volume ( cub.cm/mol.) = 88.54 Co-ordinates, thermal parameters, occupation for atomic positions: NoP x/a y/b z/c B(j) atom / occupation 1 0.0043 0.2638 0.4945 0.0 Ba = 1.00 2 0.6409 0.0039 0.3516 0.0 Ti = 1.00 3 0.2972 0.5189 0.2522 0.0 Si = 1.00 4 0.4759 0.2726 0.4813 0.0 Si = 1.00 5 0.6269 0.214 0.3921 0.0 O = 1.00 6 0.6027 0.8073 0.3744 0.0 O = 1.00 7 0.3896 0.3781 0.3347 0.0 O = 1.00 8 0.7128 0.0017 0.1594 0.0 O = 1.00 9 0.3706 0.6453 0.3746 0.0 O = 1.00 10 0.3325 0.4778 0.0482 0.0 O = 1.00 11 0.1007 0.4691 0.2287 0.0 O = 1.00 Co-ordinates for all atomic positions : No NoP x/a y/b z/c 1 1 0.0043 0.2638 0.4945 2 2 0.6409 0.0039 0.3516 3 3 0.2972 0.5189 0.2522 4 4 0.4759 0.2726 0.4813 5 5 0.6269 0.214 0.3921 6 6 0.6027 0.8073 0.3744 7 7 0.3896 0.3781 0.3347 8 8 0.7128 0.0017 0.1594 9 9 0.3706 0.6453 0.3746 10 10 0.3325 0.4778 0.0482 11 11 0.1007 0.4691 0.2287 12 1 0.9957 0.7362 0.5055 13 2 0.3591 0.9961 0.6484 14 3 0.7028 0.4811 0.7478 15 4 0.5241 0.7274 0.5187 16 5 0.3731 0.786 0.6079 17 6 0.3973 0.1927 0.6256 18 7 0.6104 0.6219 0.6653 19 8 0.2872 0.9983 0.8406 20 9 0.6294 0.3547 0.6254 21 10 0.6675 0.5222 0.9518 22 11 0.8993 0.5309 0.7713 23 1 0.5043 0.2362 0.9945 24 2 0.1409 0.4961 0.8516 25 3 0.7972 0.9811 0.7522 26 4 0.9759 0.2274 0.9813 27 5 0.1269 0.286 0.8921 28 6 0.1027 0.6927 0.8744 29 7 0.8896 0.1219 0.8347 30 8 0.2128 0.4983 0.6594 31 9 0.8706 0.8547 0.8746 32 10 0.8325 0.0222 0.5482 33 11 0.6007 0.0309 0.7287 34 1 0.4957 0.7638 0.0055 35 2 0.8591 0.5039 0.1484 36 3 0.2028 0.0189 0.2478 37 4 0.0241 0.7726 0.0187 38 5 0.8731 0.714 0.1079 39 6 0.8973 0.3073 0.1256 40 7 0.1104 0.8781 0.1653 41 8 0.7872 0.5017 0.3406 42 9 0.1294 0.1453 0.1254 43 10 0.1675 0.9778 0.4518 44 11 0.3993 0.9691 0.2713 X-ray density (g/cm cub.) = 3.99 MU (1/cm) = 677.338 Mass attenuation coefficient (cm**2/g) = 169.713 Selected interatomic distances (cation-anion,anion-anion): NoP Atom Rad.sph. C.N. Distance NoP N. (angs.) (angs.) 1 Ba 3.288 10 3.0143 5 3.0521 11 3.1952 6 2.9679 5 3.1882 7 3.0108 8 2.8436 10 2.7727 6 3.0469 8 3.1846 10 2 Ti 2.568 5 2.1303 5 2.0031 6 1.6408 8 1.9312 10 1.9461 11 3 Si 2.1 4 1.6576 7 1.6092 9 1.6525 10 1.6253 11 4 Si 2.1 4 1.5908 5 1.5878 7 1.5623 6 1.6927 9 5 O 3.264 8 2.4858 7 2.9055 8 2.7573 6 2.2396 9 2.6562 10 3.151 11 3.2022 8 3.0883 11 6 O 3.264 6 2.766 8 2.4624 9 2.7573 5 2.8518 7 2.971 10 2.3249 11 7 O 3.264 7 2.4858 5 2.6981 9 2.3335 10 2.4744 11 2.8518 6 2.6374 9 3.2505 8 8 O 3.264 8 2.9055 5 2.766 6 3.2505 7 3.0415 9 2.9011 10 3.1986 11 3.2022 5 2.7967 11 9 O 3.264 7 2.4624 6 2.6981 7 2.932 10 2.8462 11 2.2396 5 2.6374 7 3.0415 8 10 O 3.264 7 2.3335 7 2.932 9 2.4799 11 2.926 10 2.6562 5 2.971 6 2.9011 8 11 O 3.264 8 2.4744 7 2.8462 9 2.4799 10 3.151 5 3.1986 8 3.0883 5 2.3249 6 2.7967 8 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 0 7.161 14.323 0.081 125.73 4 46.8 319.3 2 0 1 1 7.465 14.931 0.084 115.52 4 27.6 101.5 3 1 0 -1 7.469 14.938 0.084 115.41 2 71.2 338.5 4 1 1 -1 8.689 17.377 0.098 84.7 4 5.2 2.6 5 0 2 0 8.855 17.709 0.1 81.48 2 87.6 361.5 6 1 0 1 8.96 17.919 0.101 79.53 2 83.1 317.7 7 1 1 1 10.004 20.008 0.113 63.36 4 7.9 4.6 8 1 2 0 10.516 21.032 0.118 57.13 4 4.6 1.4 9 0 2 1 10.728 21.456 0.121 54.81 4 11.2 8.0 10 2 0 0 11.311 22.623 0.127 49.09 2 163.1 755.8 11 1 2 -1 11.623 23.246 0.131 46.39 4 143.9 1112.0 12 0 0 2 12.085 24.169 0.136 42.75 2 144.2 514.6 13 2 1 0 12.163 24.327 0.137 42.18 4 8.4 3.4 14 1 2 1 12.648 25.297 0.142 38.85 4 119.3 640.0 15 2 1 -1 12.655 25.31 0.142 38.81 4 141.0 892.8 16 0 1 2 12.889 25.777 0.145 37.34 4 16.6 11.9 17 1 1 -2 13.183 26.367 0.148 35.6 4 61.8 157.5 18 2 2 0 14.438 28.876 0.162 29.35 4 300.2 3061.3 19 2 1 1 14.502 29.005 0.163 29.07 4 79.7 213.6 20 1 3 0 14.528 29.056 0.163 28.96 4 14.2 6.8 21 0 3 1 14.685 29.371 0.165 28.3 4 113.3 420.3 22 2 2 -1 14.859 29.719 0.166 27.6 4 29.7 28.3 23 1 1 2 14.97 29.941 0.168 27.16 4 30.5 29.2 24 0 2 2 15.061 30.123 0.169 26.81 4 297.0 2736.9 25 2 0 -2 15.069 30.137 0.169 26.78 2 188.9 553.0 26 1 2 -2 15.318 30.635 0.171 25.86 4 0.3 0.0 27 1 3 -1 15.365 30.73 0.172 25.69 4 11.5 3.9 28 2 1 -2 15.731 31.463 0.176 24.42 4 19.9 11.2 29 1 3 1 16.171 32.342 0.181 23.01 4 18.4 9.0 30 2 2 1 16.48 32.961 0.184 22.08 4 13.2 4.4 31 1 2 2 16.899 33.798 0.189 20.91 4 8.9 1.9 32 3 0 -1 17.102 34.205 0.191 20.37 2 190.7 428.6 33 2 2 -2 17.585 35.171 0.196 19.17 4 204.8 930.6 34 2 3 0 17.635 35.27 0.197 19.05 4 3.3 0.2 35 3 1 -1 17.697 35.394 0.197 18.91 4 31.9 22.3 36 3 1 0 17.705 35.409 0.197 18.89 4 4.4 0.4 37 0 4 0 17.93 35.86 0.2 18.37 2 329.6 1154.7 38 2 3 -1 17.989 35.979 0.2 18.24 4 33.9 24.3 39 2 0 2 18.148 36.296 0.202 17.89 2 291.9 882.0 40 0 3 2 18.16 36.32 0.202 17.87 4 25.5 13.5 41 1 0 -3 18.166 36.332 0.202 17.85 2 295.4 901.3 42 1 3 -2 18.378 36.755 0.205 17.41 4 32.5 21.2 43 2 1 2 18.714 37.428 0.208 16.72 4 17.4 5.8 44 1 1 -3 18.731 37.463 0.208 16.69 4 12.4 2.9 45 1 4 0 18.85 37.701 0.21 16.46 4 12.9 3.2 46 0 1 3 18.864 37.729 0.21 16.43 4 34.0 22.0 47 0 4 1 18.975 37.951 0.211 16.22 4 4.9 0.5 48 3 0 1 19.237 38.474 0.214 15.74 2 167.3 254.8 49 2 3 1 19.379 38.757 0.215 15.48 4 68.0 82.8 50 3 2 -1 19.386 38.772 0.215 15.47 4 144.1 371.7 51 3 2 0 19.393 38.786 0.216 15.46 4 20.1 7.2 52 1 4 -1 19.522 39.044 0.217 15.23 4 159.7 449.4 53 1 3 2 19.744 39.487 0.219 14.86 4 87.7 132.3 54 3 1 -2 19.755 39.51 0.219 14.84 4 46.7 37.5 55 3 1 1 19.776 39.552 0.22 14.8 4 29.5 14.9 56 1 4 1 20.182 40.364 0.224 14.15 4 82.8 112.2 57 1 0 3 20.204 40.407 0.224 14.11 2 160.7 210.8 58 2 2 2 20.33 40.661 0.226 13.92 4 142.7 328.0 59 1 2 -3 20.347 40.693 0.226 13.89 4 64.3 66.5 60 2 3 -2 20.347 40.694 0.226 13.89 4 31.4 15.9 61 2 1 -3 20.351 40.702 0.226 13.89 4 87.4 122.9 62 0 2 3 20.471 40.942 0.227 13.71 4 0.5 0.0 63 1 1 3 20.722 41.444 0.23 13.34 4 3.1 0.2 64 3 2 -2 21.305 42.61 0.236 12.53 4 26.4 10.1 65 3 2 1 21.325 42.65 0.236 12.51 4 139.7 282.3 66 2 4 0 21.409 42.819 0.237 12.4 4 119.9 206.1 67 2 4 -1 21.711 43.422 0.24 12.01 4 7.7 0.8 68 0 4 2 21.857 43.715 0.242 11.83 4 137.1 257.5 69 2 2 -3 21.866 43.732 0.242 11.82 4 6.0 0.5 70 3 3 -1 21.956 43.911 0.243 11.72 4 37.1 18.7 71 3 3 0 21.962 43.924 0.243 11.71 4 59.1 47.3 72 1 4 -2 22.044 44.088 0.244 11.61 4 8.3 0.9 73 1 2 3 22.217 44.433 0.245 11.41 4 135.3 241.6 74 2 3 2 22.813 45.625 0.252 10.75 4 7.9 0.8 75 1 3 -3 22.828 45.655 0.252 10.73 4 26.4 8.6 76 2 4 1 22.911 45.823 0.253 10.64 4 11.7 1.7 77 0 3 3 22.941 45.882 0.253 10.61 4 16.8 3.5 78 3 0 -3 22.952 45.905 0.253 10.6 2 54.6 18.3 79 4 0 0 23.097 46.193 0.255 10.45 2 62.3 23.5 80 1 4 2 23.231 46.462 0.256 10.31 4 5.0 0.3 81 4 1 -1 23.268 46.536 0.256 10.28 4 14.3 2.4 82 1 5 0 23.398 46.796 0.258 10.15 4 117.2 161.2 83 3 1 -3 23.421 46.842 0.258 10.12 4 30.7 11.0 84 3 1 2 23.452 46.904 0.258 10.09 4 80.3 75.4 85 0 5 1 23.503 47.006 0.259 10.04 4 15.2 2.7 86 4 1 0 23.563 47.126 0.259 9.99 4 20.1 4.7 87 3 3 -2 23.705 47.411 0.261 9.85 4 1.3 0.0 88 3 3 1 23.723 47.447 0.261 9.83 4 12.6 1.8 89 2 4 -2 23.762 47.524 0.262 9.8 4 109.2 135.1 90 1 5 -1 23.965 47.93 0.264 9.61 4 0.6 0.0 91 2 1 3 23.973 47.946 0.264 9.6 4 13.7 2.1 92 4 0 -2 24.219 48.438 0.266 9.38 2 210.9 241.4 93 2 3 -3 24.222 48.445 0.266 9.38 4 49.3 26.4 94 1 5 1 24.528 49.056 0.269 9.12 4 13.9 2.0 95 1 3 3 24.546 49.093 0.27 9.1 4 0.9 0.0 96 4 2 -1 24.64 49.28 0.271 9.02 4 17.1 3.0 97 4 1 -2 24.67 49.339 0.271 9.0 4 22.0 5.0 98 0 0 4 24.754 49.507 0.272 8.93 2 121.6 76.4 99 3 2 -3 24.787 49.574 0.272 8.9 4 172.1 305.2 100 1 1 -4 24.816 49.632 0.272 8.88 4 8.2 0.7 101 3 2 2 24.816 49.632 0.272 8.88 4 0.0 0.0 102 4 2 0 24.923 49.846 0.274 8.79 4 199.0 402.8 103 0 1 4 25.197 50.394 0.276 8.58 4 33.2 10.9 104 3 4 -1 25.198 50.395 0.276 8.58 4 164.5 268.6 105 3 4 0 25.203 50.407 0.276 8.57 4 25.1 6.2 106 2 2 3 25.316 50.633 0.278 8.48 4 7.9 0.6 107 2 0 -4 25.428 50.856 0.279 8.4 2 150.9 110.6 108 4 1 1 25.51 51.021 0.28 8.34 4 127.4 156.7 109 2 5 0 25.589 51.179 0.28 8.28 4 26.8 6.9 110 2 5 -1 25.853 51.707 0.283 8.09 4 154.6 223.7 111 2 1 -4 25.863 51.726 0.283 8.08 4 30.3 8.6 112 2 4 2 25.972 51.945 0.284 8.0 4 287.0 762.8 113 0 5 2 25.981 51.963 0.284 8.0 4 29.4 8.0 114 1 4 -3 25.986 51.972 0.284 7.99 4 194.2 348.9 115 4 2 -2 25.986 51.972 0.284 7.99 4 147.1 200.1 116 0 4 3 26.089 52.178 0.285 7.92 4 4.3 0.2 117 1 2 -4 26.127 52.254 0.286 7.9 4 22.0 4.4 118 1 5 -2 26.146 52.291 0.286 7.88 4 7.7 0.5 119 0 2 4 26.495 52.989 0.29 7.65 4 150.6 200.7 120 3 4 -2 26.786 53.572 0.293 7.46 4 33.8 9.9 121 4 2 1 26.797 53.594 0.293 7.45 4 2.9 0.1 122 3 4 1 26.803 53.605 0.293 7.45 4 79.0 53.8 123 4 3 -1 26.81 53.621 0.293 7.45 4 85.7 63.3 124 2 5 1 26.912 53.825 0.294 7.38 4 16.4 2.3 125 3 3 -3 26.949 53.897 0.294 7.36 4 22.5 4.3 126 1 1 4 26.963 53.925 0.294 7.35 4 45.5 17.6 127 3 3 2 26.976 53.953 0.294 7.34 4 20.4 3.5 128 4 3 0 27.077 54.154 0.295 7.28 4 0.1 0.0 129 2 2 -4 27.138 54.276 0.296 7.24 4 174.8 256.0 130 1 5 2 27.197 54.393 0.297 7.21 4 53.3 23.7 131 2 4 -3 27.26 54.52 0.297 7.17 4 6.1 0.3 132 2 3 3 27.448 54.896 0.299 7.06 4 32.2 8.4 133 0 6 0 27.502 55.004 0.3 7.03 2 23.7 2.3 134 1 4 3 27.558 55.117 0.3 6.99 4 79.2 50.8 135 4 1 -3 27.575 55.15 0.3 6.98 4 5.9 0.3 136 2 5 -2 27.672 55.343 0.301 6.93 4 21.0 3.5 137 3 0 3 27.853 55.707 0.303 6.83 2 38.8 5.9 138 4 3 -2 28.082 56.165 0.306 6.7 4 1.6 0.0 139 1 6 0 28.169 56.339 0.306 6.65 4 12.5 1.2 140 1 2 4 28.203 56.406 0.307 6.64 4 10.8 0.9 141 1 3 -4 28.216 56.432 0.307 6.63 4 36.5 10.2 142 3 1 -4 28.225 56.449 0.307 6.62 4 96.5 71.3 143 0 6 1 28.261 56.523 0.307 6.6 4 11.2 1.0 144 3 1 3 28.262 56.524 0.307 6.6 4 7.3 0.4 145 4 0 2 28.463 56.927 0.309 6.5 2 164.6 101.9 146 0 3 4 28.565 57.13 0.31 6.45 4 51.5 19.8 147 1 6 -1 28.668 57.335 0.311 6.39 4 114.2 96.5 148 4 2 -3 28.798 57.596 0.313 6.33 4 21.3 3.3 149 4 3 1 28.853 57.706 0.313 6.3 4 67.8 33.5 150 5 0 -1 28.863 57.725 0.313 6.3 2 149.0 80.9 151 4 1 2 28.866 57.733 0.313 6.3 4 14.3 1.5 152 3 5 -1 28.968 57.936 0.314 6.25 4 14.6 1.5 153 3 5 0 28.973 57.946 0.314 6.24 4 7.4 0.4 154 1 6 1 29.166 58.331 0.316 6.15 4 138.7 136.9 155 2 3 -4 29.178 58.355 0.316 6.15 4 17.5 2.2 156 5 1 -1 29.262 58.524 0.317 6.11 4 60.2 25.6 157 3 2 -4 29.43 58.86 0.319 6.03 4 10.1 0.7 158 3 2 3 29.466 58.933 0.319 6.01 4 141.6 139.5 159 2 0 4 29.55 59.099 0.32 5.97 2 172.9 103.3 160 4 4 -1 29.662 59.323 0.321 5.92 4 28.4 5.5 161 2 5 2 29.675 59.35 0.321 5.92 4 49.3 16.6 162 1 5 -3 29.687 59.374 0.321 5.91 4 17.1 2.0 163 5 1 0 29.759 59.518 0.322 5.88 4 38.6 10.1 164 0 5 3 29.781 59.563 0.322 5.87 4 139.0 131.2 165 3 4 -3 29.791 59.582 0.323 5.86 4 85.5 49.6 166 3 4 2 29.817 59.634 0.323 5.85 4 35.7 8.6 167 4 4 0 29.911 59.822 0.324 5.81 4 132.1 117.4 168 2 1 4 29.943 59.887 0.324 5.8 4 37.9 9.6 169 4 2 2 30.055 60.111 0.325 5.75 4 179.3 213.9 170 2 6 0 30.113 60.226 0.326 5.73 4 191.7 243.4 171 1 3 4 30.196 60.392 0.326 5.69 4 71.3 33.5 172 5 1 -2 30.225 60.451 0.327 5.68 4 99.6 65.2 173 2 4 3 30.26 60.519 0.327 5.66 4 58.5 22.4 174 2 6 -1 30.35 60.7 0.328 5.63 4 24.1 3.8 175 3 5 -2 30.422 60.844 0.329 5.6 4 4.5 0.1 176 3 5 1 30.437 60.874 0.329 5.59 4 15.6 1.6 177 5 2 -1 30.441 60.883 0.329 5.59 4 133.6 115.5 178 0 6 2 30.466 60.931 0.329 5.58 4 188.2 228.5 179 1 6 -2 30.614 61.227 0.331 5.52 4 37.4 8.9 180 4 3 -3 30.766 61.533 0.332 5.46 4 95.1 57.1 181 4 4 -2 30.857 61.714 0.333 5.42 4 162.3 165.3 182 2 5 -3 30.86 61.719 0.333 5.42 4 132.0 109.3 183 5 2 0 30.927 61.854 0.334 5.4 4 5.7 0.2 184 1 4 -4 30.983 61.966 0.334 5.37 4 16.2 1.6 185 1 0 -5 30.994 61.987 0.334 5.37 2 28.8 2.6 186 2 2 4 31.107 62.214 0.335 5.33 4 175.6 190.1 187 1 5 3 31.136 62.271 0.336 5.32 4 38.2 9.0 188 5 0 1 31.293 62.586 0.337 5.26 2 204.2 126.8 189 2 6 1 31.308 62.616 0.337 5.25 4 30.0 5.5 190 0 4 4 31.313 62.625 0.337 5.25 4 158.0 151.7 191 4 0 -4 31.329 62.658 0.338 5.24 2 252.8 193.9 192 3 3 -4 31.374 62.748 0.338 5.23 4 57.0 19.6 193 1 1 -5 31.377 62.754 0.338 5.23 4 24.8 3.7 194 5 2 -2 31.383 62.765 0.338 5.22 4 20.3 2.5 195 3 3 3 31.409 62.819 0.338 5.21 4 27.5 4.6 196 1 6 2 31.567 63.134 0.34 5.16 4 24.0 3.4 197 4 4 1 31.585 63.17 0.34 5.15 4 12.0 0.9 198 5 1 1 31.674 63.348 0.341 5.12 4 52.8 16.5 199 4 1 -4 31.71 63.42 0.341 5.11 4 42.3 10.5 200 2 4 -4 31.893 63.786 0.343 5.04 4 164.8 158.5 201 0 1 5 31.939 63.879 0.343 5.03 4 20.4 2.4 202 4 3 2 31.977 63.954 0.344 5.01 4 27.4 4.4 203 2 6 -2 32.001 64.002 0.344 5.01 4 158.4 145.4 204 2 1 -5 32.047 64.094 0.344 4.99 4 44.7 11.5 205 5 0 -3 32.195 64.391 0.346 4.94 2 41.4 4.9 206 5 3 -1 32.35 64.7 0.347 4.89 4 28.6 4.6 207 1 2 -5 32.511 65.021 0.349 4.84 4 221.1 273.5 208 5 1 -3 32.571 65.141 0.349 4.82 4 30.6 5.2 209 5 2 1 32.803 65.605 0.352 4.75 4 81.6 36.6 210 5 3 0 32.819 65.639 0.352 4.74 4 73.2 29.4 211 4 2 -4 32.837 65.675 0.352 4.73 4 148.3 120.5 212 1 4 4 32.862 65.723 0.352 4.73 4 24.4 3.2 213 2 3 4 32.994 65.988 0.353 4.69 4 40.8 9.0 214 0 2 5 33.063 66.126 0.354 4.67 4 4.4 0.1 215 4 5 -1 33.099 66.198 0.354 4.65 4 82.6 36.7 216 2 2 -5 33.168 66.337 0.355 4.63 4 10.5 0.6 217 3 6 -1 33.194 66.387 0.355 4.63 4 63.0 21.3 218 3 6 0 33.198 66.397 0.355 4.63 4 36.5 7.1 219 1 7 0 33.202 66.405 0.355 4.62 4 59.2 18.7 220 3 5 -3 33.221 66.441 0.356 4.62 4 75.8 30.7 221 3 5 2 33.245 66.49 0.356 4.61 4 89.9 43.2 222 5 3 -2 33.261 66.522 0.356 4.61 4 38.4 7.9 223 0 7 1 33.286 66.572 0.356 4.6 4 102.9 56.4 224 1 0 5 33.333 66.666 0.357 4.59 2 219.6 127.9 225 4 5 0 33.334 66.668 0.357 4.59 4 1.1 0.0 226 4 1 3 33.371 66.743 0.357 4.57 4 45.2 10.8 227 4 4 -3 33.407 66.813 0.357 4.56 4 2.2 0.0 228 3 0 -5 33.543 67.086 0.359 4.53 2 86.5 19.6 229 1 7 -1 33.656 67.312 0.36 4.49 4 4.5 0.1 230 2 5 3 33.662 67.325 0.36 4.49 4 52.2 14.2 231 5 2 -3 33.683 67.366 0.36 4.49 4 113.1 66.4 232 1 1 5 33.701 67.403 0.36 4.48 4 13.4 0.9 233 2 6 2 33.849 67.698 0.362 4.44 4 76.7 30.2 234 1 6 -3 33.861 67.721 0.362 4.44 4 31.1 5.0 235 3 1 -5 33.91 67.821 0.362 4.42 4 37.9 7.4 236 0 6 3 33.948 67.897 0.362 4.41 4 32.2 5.3 237 3 1 4 33.954 67.908 0.363 4.41 4 50.9 13.2 238 3 4 -4 33.989 67.977 0.363 4.4 4 8.3 0.3 239 3 4 3 34.022 68.045 0.363 4.39 4 71.3 25.8 240 1 7 1 34.111 68.223 0.364 4.37 4 42.7 9.2 241 4 5 -2 34.227 68.453 0.365 4.34 4 13.5 0.9 242 1 5 -4 34.346 68.692 0.366 4.31 4 9.0 0.4 243 1 3 -5 34.356 68.713 0.366 4.3 4 3.0 0.0 244 4 2 3 34.471 68.942 0.367 4.28 4 20.5 2.1 245 3 6 -2 34.546 69.091 0.368 4.26 4 16.2 1.3 246 3 6 1 34.56 69.12 0.368 4.25 4 103.4 52.6 247 4 4 2 34.568 69.135 0.368 4.25 4 128.7 81.4 248 5 3 1 34.64 69.281 0.369 4.23 4 41.9 8.6 249 0 5 4 34.659 69.318 0.369 4.23 4 33.0 5.3 250 4 3 -4 34.674 69.349 0.369 4.22 4 19.1 1.8 251 1 2 5 34.796 69.592 0.37 4.19 4 40.4 7.9 252 5 1 2 34.878 69.755 0.371 4.17 4 12.2 0.7 253 0 3 5 34.894 69.788 0.371 4.17 4 56.1 15.2 254 4 5 1 34.918 69.835 0.372 4.16 4 183.3 161.9 255 5 4 -1 34.926 69.853 0.372 4.16 4 74.6 26.8 256 2 6 -3 34.955 69.911 0.372 4.16 4 2.5 0.0 257 2 7 0 34.983 69.967 0.372 4.15 4 24.6 2.9 258 2 3 -5 34.997 69.994 0.372 4.15 4 63.3 19.2 259 3 2 -5 35.002 70.003 0.372 4.14 4 82.5 32.7 260 3 2 4 35.044 70.089 0.373 4.13 4 30.3 4.4 261 2 7 -1 35.203 70.405 0.374 4.1 4 43.6 9.0 262 2 5 -4 35.211 70.421 0.374 4.09 4 45.4 9.8 263 1 6 3 35.215 70.429 0.374 4.09 4 92.8 40.8 264 0 7 2 35.309 70.619 0.375 4.07 4 36.1 6.2 265 5 4 0 35.379 70.758 0.376 4.06 4 27.9 3.6 266 1 7 -2 35.447 70.893 0.376 4.04 4 77.3 27.9 267 5 3 -3 35.499 70.998 0.377 4.03 4 48.7 11.0 268 2 4 4 35.547 71.095 0.377 4.02 4 123.8 71.3 269 6 1 -1 35.732 71.464 0.379 3.98 4 11.1 0.6 270 5 4 -2 35.805 71.611 0.38 3.96 4 16.3 1.2 271 5 2 2 35.956 71.911 0.381 3.93 4 1.1 0.0 272 6 0 -2 36.026 72.053 0.382 3.91 2 210.2 100.1 273 6 0 0 36.045 72.09 0.382 3.91 2 170.1 65.5 274 2 7 1 36.093 72.185 0.382 3.9 4 149.5 100.8 275 1 5 4 36.135 72.271 0.383 3.89 4 21.7 2.1 276 5 1 -4 36.158 72.316 0.383 3.89 4 76.2 26.1 277 4 3 3 36.269 72.537 0.384 3.86 4 108.5 52.6 278 1 7 2 36.334 72.669 0.385 3.85 4 40.7 7.4 279 6 1 -2 36.382 72.765 0.385 3.84 4 7.5 0.3 280 6 1 0 36.401 72.802 0.385 3.84 4 8.1 0.3 281 2 1 5 36.578 73.157 0.387 3.8 4 57.6 14.6 282 1 3 5 36.587 73.174 0.387 3.8 4 15.2 1.0 283 4 5 -3 36.657 73.315 0.388 3.79 4 21.3 2.0 284 2 7 -2 36.74 73.481 0.388 3.77 4 53.2 12.3 285 3 3 -5 36.788 73.577 0.389 3.76 4 37.9 6.2 286 6 2 -1 36.799 73.599 0.389 3.76 4 19.4 1.6 287 3 3 4 36.83 73.661 0.389 3.75 4 28.5 3.5 288 1 4 -5 36.866 73.733 0.389 3.75 4 1.0 0.0 289 4 1 -5 36.881 73.761 0.39 3.74 4 2.1 0.0 290 4 6 -1 37.071 74.141 0.391 3.71 4 10.3 0.5 291 5 4 1 37.142 74.284 0.392 3.69 4 164.8 116.0 292 4 4 -4 37.175 74.351 0.392 3.69 4 177.8 134.8 293 3 6 -3 37.186 74.373 0.392 3.69 4 138.5 81.7 294 3 6 2 37.21 74.419 0.393 3.68 4 11.9 0.6 295 3 5 -4 37.217 74.434 0.393 3.68 4 113.3 54.6 296 5 2 -4 37.221 74.442 0.393 3.68 4 8.2 0.3 297 3 5 3 37.249 74.499 0.393 3.67 4 9.9 0.4 298 4 6 0 37.294 74.589 0.393 3.67 4 173.5 127.7 299 0 4 5 37.389 74.778 0.394 3.65 4 10.8 0.5 300 6 2 -2 37.442 74.885 0.395 3.64 4 111.6 52.5 301 6 2 0 37.461 74.922 0.395 3.64 4 108.0 49.0 302 2 4 -5 37.489 74.978 0.395 3.63 4 4.7 0.1 303 2 6 3 37.607 75.215 0.396 3.61 4 10.7 0.5 304 2 2 5 37.636 75.273 0.396 3.61 4 26.0 2.8 305 5 3 2 37.724 75.448 0.397 3.59 4 11.9 0.6 306 4 5 2 37.775 75.549 0.398 3.58 4 16.9 1.2 307 3 7 -1 37.863 75.727 0.398 3.57 4 39.3 6.4 308 3 7 0 37.868 75.736 0.398 3.57 4 52.3 11.3 309 4 2 -5 37.936 75.871 0.399 3.55 4 4.4 0.1 310 5 4 -3 37.978 75.955 0.399 3.55 4 71.2 20.8 311 0 8 0 38.003 76.007 0.4 3.54 2 195.6 78.5 312 5 5 -1 38.121 76.242 0.401 3.52 4 49.9 10.1 313 4 6 -2 38.147 76.294 0.401 3.52 4 122.2 60.9 314 1 6 -4 38.261 76.522 0.402 3.5 4 13.1 0.7 315 6 1 -3 38.326 76.652 0.403 3.49 4 25.6 2.6 316 6 1 1 38.363 76.726 0.403 3.49 4 13.7 0.8 317 2 7 2 38.484 76.969 0.404 3.47 4 24.7 2.5 318 1 7 -3 38.495 76.991 0.404 3.46 4 19.7 1.6 319 1 1 -6 38.525 77.05 0.404 3.46 4 68.3 18.7 320 4 0 4 38.532 77.064 0.404 3.46 2 210.3 88.5 321 6 3 -1 38.554 77.107 0.405 3.46 4 33.2 4.4 322 5 5 0 38.559 77.118 0.405 3.46 4 26.4 2.8 323 0 6 4 38.561 77.122 0.405 3.45 4 155.7 96.9 324 1 8 0 38.57 77.14 0.405 3.45 4 20.4 1.7 325 2 0 -6 38.575 77.151 0.405 3.45 2 195.6 76.4 326 0 7 3 38.579 77.157 0.405 3.45 4 98.1 38.5 327 0 8 1 38.649 77.297 0.405 3.44 4 26.5 2.8 328 2 5 4 38.722 77.444 0.406 3.43 4 20.2 1.6 329 4 4 3 38.729 77.458 0.406 3.43 4 10.5 0.4 330 4 6 1 38.81 77.619 0.407 3.42 4 2.1 0.0 331 4 1 4 38.88 77.759 0.407 3.41 4 23.7 2.2 332 5 0 3 38.894 77.789 0.408 3.4 2 70.3 9.7 333 0 0 6 38.908 77.816 0.408 3.4 2 158.9 49.7 334 2 1 -6 38.923 77.846 0.408 3.4 4 30.6 3.7 335 5 3 -4 38.968 77.937 0.408 3.39 4 95.1 35.5 336 5 5 -2 38.972 77.945 0.408 3.39 4 109.6 47.2 337 1 8 -1 38.997 77.994 0.408 3.39 4 77.4 23.5 338 1 4 5 39.04 78.08 0.409 3.38 4 201.1 158.4 339 2 6 -4 39.091 78.183 0.409 3.38 4 122.7 58.8 340 3 7 -2 39.148 78.295 0.41 3.37 4 68.6 18.4 341 3 7 1 39.161 78.322 0.41 3.37 4 3.3 0.0 342 6 3 -2 39.187 78.374 0.41 3.36 4 28.5 3.2 343 6 3 0 39.205 78.41 0.41 3.36 4 13.2 0.7 344 3 4 -5 39.237 78.474 0.411 3.36 4 70.7 19.4 345 5 1 3 39.241 78.482 0.411 3.36 4 30.7 3.7 346 0 1 6 39.255 78.51 0.411 3.35 4 51.9 10.5 347 3 4 4 39.278 78.557 0.411 3.35 4 3.4 0.0 348 6 2 -3 39.368 78.736 0.412 3.34 4 1.3 0.0 349 2 3 5 39.378 78.756 0.412 3.34 4 43.3 7.2 350 6 2 1 39.405 78.809 0.412 3.33 4 11.0 0.5 351 1 8 1 39.427 78.854 0.412 3.33 4 72.4 20.2 352 2 7 -3 39.539 79.078 0.413 3.31 4 89.7 30.8 353 1 2 -6 39.565 79.131 0.413 3.31 4 5.7 0.1 354 4 3 -5 39.673 79.347 0.414 3.3 4 36.5 5.1 355 1 7 3 39.787 79.574 0.415 3.28 4 20.0 1.5 356 4 2 4 39.917 79.835 0.417 3.27 4 134.0 67.9 357 2 2 -6 39.961 79.921 0.417 3.26 4 130.6 64.3 358 1 6 4 39.984 79.967 0.417 3.26 4 14.7 0.8 359 1 5 -5 40.004 80.009 0.417 3.25 4 19.2 1.4 360 3 0 5 40.146 80.291 0.419 3.24 2 93.7 16.4 361 5 4 2 40.155 80.309 0.419 3.24 4 17.6 1.2 362 2 8 0 40.255 80.51 0.419 3.22 4 72.9 19.8 363 5 5 1 40.273 80.547 0.42 3.22 4 26.4 2.6 364 5 2 3 40.277 80.553 0.42 3.22 4 126.4 59.6 365 0 2 6 40.29 80.581 0.42 3.22 4 131.5 64.4 366 4 5 -4 40.306 80.611 0.42 3.22 4 10.2 0.4 367 3 1 -6 40.44 80.88 0.421 3.2 4 12.9 0.6 368 2 8 -1 40.464 80.928 0.421 3.2 4 37.7 5.3 369 4 6 -3 40.489 80.979 0.421 3.2 4 8.5 0.3 370 3 1 5 40.49 80.979 0.421 3.2 4 20.2 1.5 371 0 5 5 40.514 81.028 0.422 3.19 4 85.8 27.2 372 5 0 -5 40.537 81.074 0.422 3.19 2 122.2 27.6 373 0 8 2 40.566 81.133 0.422 3.19 4 73.3 19.8 374 2 5 -5 40.612 81.224 0.423 3.18 4 33.6 4.2 375 1 8 -2 40.697 81.395 0.423 3.17 4 22.5 1.9 376 5 1 -5 40.88 81.761 0.425 3.15 4 33.1 4.0 377 6 4 -1 40.97 81.941 0.426 3.14 4 6.2 0.1 378 3 6 -4 41.033 82.066 0.426 3.13 4 28.5 2.9 379 3 6 3 41.064 82.129 0.426 3.13 4 129.3 60.5 380 6 3 -3 41.089 82.178 0.427 3.13 4 47.5 8.2 381 5 5 -3 41.09 82.18 0.427 3.13 4 36.1 4.7 382 1 1 6 41.097 82.194 0.427 3.13 4 11.6 0.5 383 6 3 1 41.125 82.251 0.427 3.12 4 102.2 37.8 384 6 0 -4 41.166 82.331 0.427 3.12 2 125.6 28.5 385 6 0 2 41.22 82.439 0.428 3.11 2 105.0 19.9 386 1 3 -6 41.284 82.569 0.428 3.11 4 24.8 2.2 387 2 8 1 41.316 82.632 0.429 3.1 4 3.2 0.0 388 5 4 -4 41.379 82.758 0.429 3.1 4 15.3 0.8 389 3 2 -6 41.468 82.937 0.43 3.09 4 12.2 0.5 390 6 1 -4 41.508 83.016 0.43 3.09 4 37.0 4.9 391 3 2 5 41.518 83.036 0.43 3.08 4 104.3 38.8 392 1 8 2 41.548 83.096 0.431 3.08 4 5.3 0.1 393 6 1 2 41.562 83.124 0.431 3.08 4 25.4 2.3 394 4 7 -1 41.575 83.151 0.431 3.08 4 128.5 58.8 395 4 6 2 41.576 83.152 0.431 3.08 4 127.2 57.6 396 6 4 -2 41.594 83.189 0.431 3.08 4 201.9 145.1 397 6 4 0 41.612 83.225 0.431 3.08 4 165.1 97.0 398 4 3 4 41.633 83.267 0.431 3.07 4 10.2 0.4 399 2 3 -6 41.676 83.352 0.432 3.07 4 50.6 9.1 400 3 7 -3 41.688 83.375 0.432 3.07 4 15.5 0.9 401 3 7 2 41.71 83.42 0.432 3.07 4 24.0 2.0 402 2 4 5 41.783 83.566 0.433 3.06 4 4.9 0.1 403 4 7 0 41.792 83.584 0.433 3.06 4 12.6 0.6 404 4 5 3 41.827 83.654 0.433 3.05 4 16.0 0.9 405 5 2 -5 41.907 83.813 0.434 3.05 4 27.5 2.7 406 5 6 -1 41.914 83.829 0.434 3.05 4 92.9 30.4 407 2 8 -2 41.939 83.879 0.434 3.04 4 116.8 48.1 408 5 3 3 41.989 83.979 0.434 3.04 4 15.8 0.9 409 0 3 6 42.003 84.006 0.434 3.04 4 47.6 7.9 410 4 4 -5 42.075 84.149 0.435 3.03 4 27.9 2.7 411 2 7 3 42.096 84.192 0.435 3.03 4 90.4 28.7 412 1 2 6 42.122 84.245 0.435 3.03 4 17.9 1.1 413 1 5 5 42.133 84.265 0.435 3.03 4 22.8 1.8 414 3 5 -5 42.327 84.653 0.437 3.01 4 0.9 0.0 415 5 6 0 42.343 84.685 0.437 3.01 4 1.6 0.0 416 3 5 4 42.367 84.734 0.437 3.01 4 105.4 38.6 417 2 6 4 42.502 85.005 0.439 2.99 4 138.7 66.7 418 7 0 -1 42.503 85.007 0.439 2.99 2 60.4 6.3 419 6 2 -4 42.532 85.063 0.439 2.99 4 192.0 127.6 420 6 2 2 42.585 85.171 0.439 2.99 4 157.1 85.3 421 4 7 -2 42.621 85.243 0.44 2.98 4 20.9 1.5 422 4 0 -6 42.71 85.42 0.44 2.98 2 126.0 27.3 423 1 7 -4 42.733 85.466 0.44 2.98 4 31.4 3.4 424 5 6 -2 42.748 85.495 0.441 2.97 4 18.7 1.2 425 7 1 -1 42.844 85.688 0.441 2.97 4 40.1 5.5 426 0 7 4 43.026 86.051 0.443 2.95 4 18.5 1.2 427 3 8 -1 43.026 86.052 0.443 2.95 4 97.5 32.5 428 3 8 0 43.031 86.061 0.443 2.95 4 2.0 0.0 429 4 1 -6 43.05 86.101 0.443 2.95 4 34.0 3.9 430 3 3 -6 43.173 86.346 0.444 2.94 4 79.0 21.2 431 3 3 5 43.222 86.444 0.445 2.94 4 2.8 0.0 432 5 5 2 43.231 86.462 0.445 2.94 4 27.2 2.5 433 7 1 -2 43.253 86.506 0.445 2.94 4 2.3 0.0 434 4 7 1 43.269 86.537 0.445 2.93 4 40.4 5.5 435 6 4 -3 43.476 86.953 0.447 2.92 4 4.1 0.1 436 6 4 1 43.512 87.024 0.447 2.92 4 15.6 0.8 437 2 7 -4 43.545 87.089 0.447 2.91 4 1.1 0.0 438 5 3 -5 43.609 87.218 0.448 2.91 4 42.9 6.2 439 2 8 2 43.631 87.261 0.448 2.91 4 129.5 56.4 440 1 8 -3 43.641 87.283 0.448 2.91 4 124.7 52.3 441 1 4 -6 43.67 87.34 0.448 2.91 4 10.3 0.4 442 2 0 6 43.687 87.374 0.448 2.9 2 113.6 21.7 443 7 1 0 43.693 87.386 0.448 2.9 4 49.4 8.2 444 0 8 3 43.723 87.445 0.449 2.9 4 1.7 0.0 445 1 6 -5 43.762 87.525 0.449 2.9 4 150.8 76.3 446 1 3 6 43.824 87.648 0.449 2.9 4 0.7 0.0 447 7 2 -1 43.864 87.727 0.45 2.89 4 120.2 48.3 448 4 4 4 44.017 88.033 0.451 2.88 4 140.4 65.8 449 2 1 6 44.027 88.053 0.451 2.88 4 60.7 12.3 450 5 6 1 44.028 88.056 0.451 2.88 4 49.4 8.2 451 6 5 -1 44.038 88.076 0.451 2.88 4 53.0 9.4 452 2 4 -6 44.059 88.118 0.451 2.88 4 174.7 101.7 453 4 6 -4 44.06 88.119 0.451 2.88 4 77.0 19.7 454 4 2 -6 44.07 88.14 0.451 2.88 4 174.4 101.3 455 6 3 -4 44.231 88.463 0.453 2.87 4 23.5 1.8 456 0 6 5 44.266 88.531 0.453 2.87 4 26.1 2.3 457 7 2 -2 44.272 88.544 0.453 2.87 4 39.6 5.2 458 3 8 -2 44.279 88.558 0.453 2.87 4 55.2 10.1 459 6 3 2 44.285 88.57 0.453 2.87 4 13.3 0.6 460 3 8 1 44.292 88.584 0.453 2.87 4 98.6 32.3 461 2 6 -5 44.362 88.724 0.454 2.86 4 41.2 5.6 462 5 4 3 44.371 88.741 0.454 2.86 4 109.9 40.0 463 0 4 6 44.384 88.768 0.454 2.86 4 124.6 51.4 464 1 9 0 44.393 88.786 0.454 2.86 4 81.4 22.0 465 1 7 4 44.421 88.843 0.454 2.86 4 77.2 19.7 466 5 5 -4 44.443 88.886 0.455 2.86 4 0.9 0.0 467 0 9 1 44.47 88.94 0.455 2.86 4 86.5 24.7 468 7 0 -3 44.578 89.157 0.456 2.85 2 141.1 32.9 469 6 5 -2 44.657 89.314 0.456 2.85 4 8.6 0.2 470 2 8 -3 44.663 89.325 0.456 2.85 4 34.0 3.8 471 6 5 0 44.675 89.35 0.456 2.85 4 5.9 0.1 472 7 2 0 44.711 89.423 0.457 2.84 4 5.2 0.1 473 5 1 4 44.729 89.457 0.457 2.84 4 5.7 0.1 474 1 9 -1 44.81 89.621 0.457 2.84 4 6.2 0.1 475 5 6 -3 44.835 89.671 0.458 2.84 4 110.3 39.9 476 2 5 5 44.844 89.689 0.458 2.84 4 87.2 25.0 477 1 8 3 44.906 89.813 0.458 2.83 4 94.5 29.3 478 7 1 -3 44.918 89.835 0.458 2.83 4 57.9 11.0 479 4 7 -3 44.92 89.84 0.458 2.83 4 102.6 34.5 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 0 7.161 14.323 6.17884 319.3 9.7 9.8 5.6 2 1 0 -1 7.469 14.938 5.92577 440.0 13.4 13.5 5.6 3 0 2 0 8.855 17.709 5.0042 361.5 11.0 11.1 5.6 4 1 0 1 8.96 17.919 4.94603 317.7 9.7 9.7 5.6 5 2 0 0 11.311 22.623 3.92718 755.8 23.0 23.1 5.6 6 1 2 -1 11.623 23.246 3.82329 1112.0 33.8 34.0 5.6 7 0 0 2 12.085 24.169 3.67925 514.6 15.6 15.7 5.6 8 2 1 -1 12.655 25.31 3.51601 1532.8 46.6 46.8 5.6 9 1 1 -2 13.183 26.367 3.37742 157.5 4.8 4.8 5.6 10 2 2 0 14.438 28.876 3.08942 3061.3 93.1 93.1 5.6 11 2 1 1 14.502 29.005 3.07597 220.4 6.7 6.7 5.6 12 0 3 1 14.685 29.371 3.03845 420.3 12.8 12.8 5.6 13 0 2 2 15.061 30.123 2.96428 3289.8 100.0 100.0 5.6 14 3 0 -1 17.102 34.205 2.6193 428.6 13.0 13.0 5.7 15 2 2 -2 17.585 35.171 2.54952 930.6 28.3 28.2 5.7 16 0 4 0 17.93 35.86 2.5021 1154.7 35.1 34.9 5.7 17 1 0 -3 18.166 36.332 2.47066 1796.7 54.6 54.3 5.7 18 3 0 1 19.237 38.474 2.33791 254.8 7.7 7.7 5.7 19 3 2 -1 19.386 38.772 2.32063 461.7 14.0 13.9 5.7 20 1 4 -1 19.522 39.044 2.30504 449.4 13.7 13.6 5.7 21 1 3 2 19.744 39.487 2.28021 169.8 5.2 5.1 5.7 22 1 0 3 20.204 40.407 2.23038 323.0 9.8 9.7 5.7 23 2 2 2 20.33 40.661 2.21706 533.3 16.2 16.1 5.7 24 3 2 1 21.325 42.65 2.11815 292.4 8.9 8.8 5.7 25 2 4 0 21.409 42.819 2.1102 206.1 6.3 6.2 5.7 26 0 4 2 21.857 43.715 2.069 258.0 7.8 7.7 5.7 27 3 3 0 21.962 43.924 2.05961 66.0 2.0 2.0 5.7 28 1 2 3 22.217 44.433 2.03719 241.6 7.3 7.2 5.7 29 1 5 0 23.398 46.796 1.93968 172.3 5.2 5.2 5.7 30 3 1 2 23.452 46.904 1.93549 75.4 2.3 2.3 5.7 31 2 4 -2 23.762 47.524 1.91165 135.1 4.1 4.0 5.7 32 4 0 -2 24.219 48.438 1.87769 267.8 8.1 8.0 5.7 33 0 0 4 24.754 49.507 1.83962 76.4 2.3 2.3 5.7 34 3 2 -3 24.787 49.574 1.83731 305.2 9.3 9.1 5.7 35 4 2 0 24.923 49.846 1.82791 402.8 12.2 12.0 5.7 36 3 4 -1 25.198 50.395 1.80927 285.8 8.7 8.5 5.8 37 2 0 -4 25.428 50.856 1.79394 110.6 3.4 3.3 5.8 38 4 1 1 25.51 51.021 1.78855 156.7 4.8 4.7 5.8 39 2 5 -1 25.853 51.707 1.76642 232.3 7.1 6.9 5.8 40 2 4 2 25.972 51.945 1.75888 1319.7 40.1 39.2 5.8 41 0 2 4 26.495 52.989 1.72665 200.7 6.1 6.0 5.8 42 4 3 -1 26.81 53.621 1.70778 127.0 3.9 3.8 5.8 43 2 2 -4 27.138 54.276 1.68871 256.0 7.8 7.6 5.8 44 1 4 3 27.558 55.117 1.66492 51.1 1.6 1.5 5.8 45 3 1 -4 28.225 56.449 1.62874 81.5 2.5 2.4 5.8 46 4 0 2 28.463 56.927 1.61621 101.9 3.1 3.0 5.8 47 1 6 -1 28.668 57.335 1.60566 96.5 2.9 2.8 5.8 48 5 0 -1 28.863 57.725 1.59574 115.9 3.5 3.4 5.8 49 1 6 1 29.166 58.331 1.5806 139.1 4.2 4.1 5.8 50 3 2 3 29.466 58.933 1.56588 139.5 4.2 4.1 5.8 51 2 0 4 29.55 59.099 1.56188 103.3 3.1 3.0 5.8 52 0 5 3 29.781 59.563 1.55082 199.6 6.1 5.9 5.8 53 4 4 0 29.911 59.822 1.54471 117.4 3.6 3.5 5.8 54 4 2 2 30.055 60.111 1.53799 213.9 6.5 6.3 5.8 55 2 6 0 30.113 60.226 1.53531 243.4 7.4 7.2 5.8 56 1 3 4 30.196 60.392 1.5315 33.5 1.0 1.0 5.8 57 5 1 -2 30.225 60.451 1.53015 65.2 2.0 1.9 5.8 58 0 6 2 30.466 60.931 1.51922 345.6 10.5 10.1 5.8 59 4 3 -3 30.766 61.533 1.50581 57.1 1.7 1.7 5.8 60 4 4 -2 30.857 61.714 1.50183 274.7 8.3 8.1 5.8 61 2 2 4 31.107 62.214 1.49094 199.1 6.1 5.8 5.8 62 0 4 4 31.313 62.625 1.48214 477.8 14.5 14.0 5.8 63 2 4 -4 31.893 63.786 1.45793 158.5 4.8 4.6 5.9 64 2 6 -2 32.001 64.002 1.45354 149.7 4.6 4.4 5.9 65 1 2 -5 32.511 65.021 1.43319 273.5 8.3 8.0 5.9 66 5 2 1 32.803 65.605 1.42185 66.0 2.0 1.9 5.9 67 4 2 -4 32.837 65.675 1.4205 123.8 3.8 3.6 5.9 68 4 5 -1 33.099 66.198 1.41054 36.7 1.1 1.1 5.9 69 3 5 -3 33.221 66.441 1.40597 128.8 3.9 3.7 5.9 70 0 7 1 33.286 66.572 1.40352 56.4 1.7 1.6 5.9 71 1 0 5 33.333 66.666 1.40178 127.9 3.9 3.7 5.9 72 5 2 -3 33.683 67.366 1.3889 80.5 2.4 2.3 5.9 73 2 6 2 33.849 67.698 1.38289 35.2 1.1 1.0 5.9 74 4 4 2 34.568 69.135 1.35761 135.3 4.1 3.9 5.9 75 4 5 1 34.918 69.835 1.34571 203.9 6.2 5.9 5.9 76 3 2 -5 35.002 70.003 1.34289 54.8 1.7 1.6 5.9 77 1 6 3 35.215 70.429 1.33581 59.6 1.8 1.7 5.9 78 2 4 4 35.547 71.095 1.32493 71.3 2.2 2.1 5.9 79 6 0 -2 36.026 72.053 1.30965 165.5 5.0 4.8 5.9 80 2 7 1 36.093 72.185 1.30757 100.8 3.1 2.9 5.9 81 4 3 3 36.269 72.537 1.30209 52.6 1.6 1.5 5.9 82 5 4 1 37.142 74.284 1.27573 116.0 3.5 3.3 6.0 83 4 4 -4 37.175 74.351 1.27476 216.6 6.6 6.2 6.0 84 3 5 -4 37.217 74.434 1.27354 54.9 1.7 1.6 6.0 85 4 6 0 37.294 74.589 1.27128 127.7 3.9 3.7 6.0 86 6 2 -2 37.442 74.885 1.26698 101.5 3.1 2.9 6.0 87 0 8 0 38.003 76.007 1.25105 99.3 3.0 2.8 6.0 88 4 6 -2 38.147 76.294 1.24706 71.0 2.2 2.0 6.0 89 4 0 4 38.532 77.064 1.23651 111.6 3.4 3.2 6.0 90 0 7 3 38.579 77.157 1.23524 216.2 6.6 6.2 6.0 91 0 0 6 38.908 77.816 1.22642 65.3 2.0 1.9 6.0 92 5 5 -2 38.972 77.945 1.22472 106.2 3.2 3.0 6.0 93 1 4 5 39.04 78.08 1.22293 158.4 4.8 4.5 6.0 94 2 6 -4 39.091 78.183 1.22158 58.8 1.8 1.7 6.0 95 3 4 -5 39.237 78.474 1.21777 33.5 1.0 1.0 6.0 96 4 2 4 39.917 79.835 1.2004 67.9 2.1 1.9 6.0 97 2 2 -6 39.961 79.921 1.19933 65.1 2.0 1.8 6.0 98 5 2 3 40.277 80.553 1.1915 146.8 4.5 4.2 6.1 99 5 0 -5 40.537 81.074 1.18515 74.6 2.3 2.1 6.1 100 3 6 3 41.064 82.129 1.17259 73.4 2.2 2.1 6.1 101 6 3 1 41.125 82.251 1.17116 37.8 1.1 1.1 6.1 102 3 2 5 41.518 83.036 1.16207 43.7 1.3 1.2 6.1 103 6 4 -2 41.594 83.189 1.16032 360.8 11.0 10.2 6.1 104 2 8 -2 41.939 83.879 1.15252 81.2 2.5 2.3 6.1 105 3 5 4 42.367 84.734 1.14306 38.6 1.2 1.1 6.1 106 6 2 -4 42.532 85.063 1.13947 200.5 6.1 5.6 6.1 107 6 2 2 42.585 85.171 1.13831 85.3 2.6 2.4 6.1 108 4 1 -6 43.05 86.101 1.12838 37.6 1.1 1.1 6.1 109 2 8 2 43.631 87.261 1.11633 115.3 3.5 3.2 6.2 110 1 6 -5 43.762 87.525 1.11365 76.3 2.3 2.1 6.2 111 7 2 -1 43.864 87.727 1.1116 48.3 1.5 1.3 6.2 112 4 4 4 44.017 88.033 1.10853 95.6 2.9 2.7 6.2 113 2 4 -6 44.059 88.118 1.10768 222.8 6.8 6.2 6.2 114 3 8 1 44.292 88.584 1.10305 50.4 1.5 1.4 6.2 115 0 4 6 44.384 88.768 1.10124 138.8 4.2 3.8 6.2 116 5 6 -3 44.835 89.671 1.09248 64.9 2.0 1.8 6.2 117 4 7 -3 44.92 89.84 1.09086 74.8 2.3 2.1 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) |