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 *** *********************** BISMUTHINITE 3, t-stibnite, syn, at 3.53 Gpa, f-orpiment, g-stibnite Bi(2)S(3) Orthorhombic P nma Z = 4 Pnma 30 .7 .10 Ref.Str.: Lundegaard L.F, Makovicky E., Boffa Ballaran T., Balic-Zunic T. (2005) * Phys. Chem. Minerals, 32, 578-584 R: Crystal structure of Bi2S3 between 0 and 10 Gpa. N.A.D. Initial data from BDM-file Lattice parameters (cub. angs.,degr.): a = 10.907 alpha = 90.0 b = 3.9191 beta = 90.0 c = 10.822 gamma = 90.0 Unit cell volume (cub. angs.) = 462.59 Molar volume ( cub.cm/mol.) = 69.66 Co-ordinates, thermal parameters, occupation for atomic positions: NoP x/a y/b z/c B(j) atom / occupation 1 0.0049 0.25 0.6744 0.0 Bi = 1.00 2 0.3331 0.25 0.4663 0.0 Bi = 1.00 3 0.0527 0.25 0.128 0.0 S = 1.00 4 0.3737 0.25 0.061 0.0 S = 1.00 5 0.2211 0.25 0.8026 0.0 S = 1.00 Co-ordinates for all atomic positions : No NoP x/a y/b z/c 1 1 0.0049 0.25 0.6744 2 2 0.3331 0.25 0.4663 3 3 0.0527 0.25 0.128 4 4 0.3737 0.25 0.061 5 5 0.2211 0.25 0.8026 6 1 0.4951 0.75 0.1744 7 2 0.1669 0.75 0.9663 8 3 0.4473 0.75 0.628 9 4 0.1263 0.75 0.561 10 5 0.2789 0.75 0.3026 11 1 0.5049 0.25 0.8256 12 2 0.8331 0.25 0.0337 13 3 0.5527 0.25 0.372 14 4 0.8737 0.25 0.439 15 5 0.7211 0.25 0.6974 16 1 0.9951 0.75 0.3256 17 2 0.6669 0.75 0.5337 18 3 0.9473 0.75 0.872 19 4 0.6263 0.75 0.939 20 5 0.7789 0.75 0.1974 X-ray density (g/cm cub.) = 7.38 MU (1/cm) = 1562.85 Mass attenuation coefficient (cm**2/g) = 211.771 Selected interatomic distances (cation-anion,anion-anion): NoP Atom Rad.sph. C.N. Distance NoP N. (angs.) (angs.) 1 Bi 3.624 7 2.736 5 2.6644 4 2.6644 4 2.9219 4 3.1054 5 2.9677 3 2.9677 3 2 Bi 3.624 7 2.9075 3 2.9075 3 3.1588 4 3.1588 4 2.707 5 2.707 5 2.6035 3 3 S 4.368 11 3.9191 3 3.9191 3 3.5754 4 3.9717 5 3.6738 5 3.6738 5 3.8909 4 3.5828 3 3.5828 3 3.6499 5 3.6499 5 4 S 4.368 9 3.5754 3 3.9191 4 3.9191 4 3.2542 5 3.4271 5 3.4271 5 3.8909 3 3.6295 4 3.6295 4 5 S 4.368 10 3.9717 3 3.2542 4 3.9191 5 3.9191 5 3.6738 3 3.6738 3 3.4271 4 3.4271 4 3.6499 3 3.6499 3 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 0 1 5.755 11.509 0.065 195.96 4 13.3 64.4 2 2 0 0 8.12 16.24 0.092 97.31 2 137.9 1728.8 3 0 0 2 8.184 16.368 0.092 95.75 2 91.8 754.7 4 2 0 1 9.1 18.201 0.103 77.02 4 85.0 1039.7 5 1 0 2 9.144 18.287 0.103 76.27 4 85.0 1029.1 6 2 0 2 11.568 23.137 0.13 46.85 4 258.6 5854.3 7 0 1 1 12.066 24.132 0.136 42.89 4 184.5 2730.5 8 1 1 1 12.747 25.494 0.143 38.22 8 178.6 4557.5 9 3 0 1 12.915 25.83 0.145 37.18 4 355.5 8780.4 10 1 0 3 12.997 25.995 0.146 36.68 4 329.5 7446.2 11 2 1 0 14.007 28.013 0.157 31.31 4 223.3 2917.1 12 2 1 1 14.613 29.225 0.164 28.6 8 199.8 4267.3 13 1 1 2 14.64 29.281 0.164 28.49 8 296.1 9336.6 14 3 0 2 14.788 29.577 0.166 27.88 4 112.6 660.2 15 2 0 3 14.834 29.668 0.166 27.7 4 153.0 1211.6 16 2 1 2 16.308 32.615 0.182 22.59 8 269.5 6132.4 17 4 0 0 16.409 32.818 0.183 22.29 2 132.6 366.3 18 0 0 4 16.541 33.083 0.185 21.9 2 56.6 65.5 19 0 1 3 16.871 33.742 0.188 20.99 4 296.3 3444.0 20 4 0 1 16.937 33.874 0.189 20.81 4 82.4 264.2 21 1 0 4 17.058 34.116 0.19 20.49 4 102.9 405.5 22 3 1 1 17.315 34.631 0.193 19.83 8 33.9 85.2 23 1 1 3 17.379 34.757 0.194 19.67 8 212.0 3305.7 24 3 0 3 17.506 35.012 0.195 19.36 4 62.4 141.0 25 4 0 2 18.441 36.882 0.205 17.27 4 327.2 3456.1 26 2 0 4 18.531 37.062 0.206 17.09 4 216.2 1493.2 27 3 1 2 18.793 37.586 0.209 16.57 8 164.6 1677.4 28 2 1 3 18.83 37.66 0.21 16.5 8 39.7 97.2 29 4 1 0 20.129 40.258 0.223 14.23 4 266.9 1894.6 30 4 1 1 20.574 41.149 0.228 13.55 8 288.3 4211.7 31 1 1 4 20.677 41.354 0.229 13.4 8 170.0 1448.9 32 4 0 3 20.739 41.478 0.23 13.31 4 147.9 544.5 33 3 0 4 20.787 41.573 0.23 13.25 4 29.9 22.1 34 3 1 3 21.059 42.117 0.233 12.87 8 39.7 75.6 35 5 0 1 21.113 42.227 0.234 12.79 4 45.9 50.3 36 1 0 5 21.274 42.548 0.236 12.58 4 120.3 340.1 37 4 1 2 21.865 43.73 0.242 11.83 8 200.5 1776.8 38 2 1 4 21.943 43.886 0.243 11.73 8 170.6 1276.1 39 5 0 2 22.379 44.757 0.247 11.22 4 122.7 315.9 40 2 0 5 22.513 45.026 0.249 11.07 4 231.9 1113.0 41 0 2 0 23.147 46.294 0.255 10.4 2 610.8 3625.8 42 4 0 4 23.645 47.291 0.26 9.91 4 161.4 482.4 43 4 1 3 23.891 47.782 0.263 9.68 8 49.8 89.9 44 1 2 1 23.934 47.867 0.263 9.64 8 9.9 3.6 45 3 1 4 23.934 47.868 0.263 9.64 8 402.0 5822.7 46 0 1 5 23.988 47.977 0.264 9.59 4 394.9 2795.8 47 5 1 1 24.227 48.453 0.266 9.38 8 194.6 1327.3 48 1 1 5 24.371 48.742 0.268 9.25 8 86.2 256.9 49 5 0 3 24.372 48.743 0.268 9.25 4 320.5 1776.4 50 3 0 5 24.468 48.935 0.269 9.17 4 327.6 1839.6 51 2 2 0 24.689 49.378 0.271 8.98 4 112.3 211.8 52 0 2 2 24.713 49.426 0.271 8.96 4 74.8 93.8 53 2 2 1 25.069 50.139 0.275 8.68 8 66.8 144.8 54 6 0 0 25.071 50.141 0.275 8.67 2 440.6 1574.2 55 1 2 2 25.087 50.174 0.275 8.66 8 70.5 160.8 56 0 0 6 25.281 50.563 0.277 8.51 2 292.1 678.6 57 5 1 2 25.37 50.741 0.278 8.44 8 236.5 1764.7 58 6 0 1 25.447 50.893 0.279 8.39 4 31.6 15.7 59 2 1 5 25.492 50.985 0.279 8.35 8 39.4 48.5 60 1 0 6 25.649 51.299 0.281 8.23 4 220.7 749.5 61 2 2 2 26.186 52.372 0.286 7.86 8 217.4 1387.4 62 4 1 4 26.528 53.057 0.29 7.63 8 82.2 192.8 63 6 0 2 26.552 53.104 0.29 7.61 4 95.4 129.4 64 2 0 6 26.732 53.464 0.292 7.5 4 178.0 443.7 65 3 2 1 26.884 53.768 0.294 7.4 8 300.3 2494.6 66 1 2 3 26.929 53.858 0.294 7.37 8 280.3 2165.2 67 5 0 4 26.975 53.949 0.294 7.34 4 108.5 161.5 68 4 0 5 27.025 54.049 0.295 7.31 4 167.5 383.5 69 5 1 3 27.198 54.397 0.297 7.21 8 137.4 508.5 70 3 1 5 27.287 54.574 0.298 7.15 8 75.4 152.0 71 6 1 0 27.846 55.692 0.303 6.83 4 144.8 267.8 72 3 2 2 27.949 55.899 0.304 6.77 8 86.3 188.6 73 2 2 3 27.977 55.953 0.305 6.76 8 127.3 409.4 74 6 1 1 28.196 56.392 0.307 6.64 8 146.0 529.0 75 6 0 3 28.327 56.653 0.308 6.57 4 79.3 77.2 76 1 1 6 28.385 56.77 0.309 6.54 8 114.2 319.0 77 3 0 6 28.472 56.944 0.309 6.49 4 24.2 7.1 78 4 2 0 28.951 57.903 0.314 6.25 4 112.6 148.2 79 0 2 4 29.036 58.073 0.315 6.21 4 50.7 29.8 80 6 1 2 29.23 58.459 0.317 6.12 8 26.5 16.1 81 4 2 1 29.293 58.585 0.318 6.09 8 65.5 97.7 82 1 2 4 29.372 58.744 0.318 6.05 8 93.3 197.0 83 2 1 6 29.398 58.797 0.319 6.04 8 12.4 3.5 84 5 1 4 29.627 59.253 0.321 5.94 8 72.4 116.5 85 3 2 3 29.668 59.337 0.321 5.92 8 52.3 60.4 86 4 1 5 29.674 59.348 0.321 5.92 8 25.0 13.8 87 7 0 1 29.964 59.928 0.324 5.79 4 45.8 22.7 88 5 0 5 30.089 60.178 0.325 5.74 4 75.8 61.6 89 1 0 7 30.213 60.427 0.327 5.68 4 14.1 2.1 90 4 2 2 30.302 60.605 0.328 5.65 8 277.0 1619.2 91 2 2 4 30.364 60.729 0.328 5.62 8 182.7 701.6 92 6 0 4 30.697 61.394 0.331 5.49 4 86.9 77.4 93 4 0 6 30.8 61.599 0.332 5.44 4 213.8 465.3 94 6 1 3 30.903 61.807 0.333 5.4 8 146.0 430.6 95 7 0 2 30.96 61.921 0.334 5.38 4 24.6 6.1 96 3 1 6 31.041 62.083 0.335 5.35 8 131.1 343.8 97 2 0 7 31.19 62.38 0.336 5.3 4 241.0 574.9 98 4 2 3 31.943 63.885 0.343 5.03 8 127.6 306.1 99 3 2 4 31.978 63.956 0.344 5.01 8 25.5 12.2 100 5 2 1 32.22 64.44 0.346 4.93 8 38.3 27.1 101 1 2 5 32.34 64.68 0.347 4.89 8 104.2 198.6 102 0 1 7 32.385 64.77 0.348 4.88 4 26.7 6.5 103 7 1 1 32.462 64.923 0.348 4.85 8 213.5 826.7 104 5 1 5 32.581 65.162 0.35 4.81 8 76.5 105.5 105 7 0 3 32.582 65.164 0.35 4.81 4 330.5 982.8 106 1 1 7 32.7 65.4 0.351 4.78 8 56.4 56.8 107 3 0 7 32.78 65.56 0.351 4.75 4 52.7 24.7 108 6 1 4 33.163 66.327 0.355 4.64 8 36.8 23.5 109 5 2 2 33.178 66.356 0.355 4.63 8 106.9 198.0 110 4 1 6 33.262 66.524 0.356 4.61 8 74.5 95.5 111 2 2 5 33.281 66.562 0.356 4.6 8 200.6 692.0 112 7 1 2 33.416 66.832 0.357 4.56 8 193.0 634.9 113 6 0 5 33.598 67.196 0.359 4.51 4 37.3 11.7 114 2 1 7 33.636 67.272 0.36 4.5 8 312.5 1642.2 115 5 0 6 33.652 67.303 0.36 4.49 4 113.4 108.1 116 4 2 4 34.166 68.331 0.365 4.35 8 141.4 325.5 117 8 0 0 34.401 68.802 0.367 4.29 2 105.6 44.8 118 0 0 8 34.71 69.419 0.37 4.22 2 223.5 196.8 119 8 0 1 34.712 69.423 0.37 4.21 4 41.4 13.5 120 5 2 3 34.744 69.489 0.37 4.21 8 282.0 1250.9 121 7 0 4 34.784 69.568 0.37 4.2 4 214.9 362.4 122 3 2 5 34.821 69.643 0.371 4.19 8 287.1 1290.8 123 4 0 7 34.942 69.885 0.372 4.16 4 152.8 181.5 124 7 1 3 34.977 69.954 0.372 4.15 8 122.7 233.4 125 1 0 8 35.014 70.029 0.372 4.14 4 157.9 193.1 126 3 1 7 35.169 70.338 0.374 4.1 8 19.5 5.8 127 6 2 0 35.309 70.618 0.375 4.07 4 388.8 1150.8 128 0 2 6 35.481 70.962 0.377 4.03 4 257.6 500.3 129 6 2 1 35.616 71.233 0.378 4.0 8 28.0 11.8 130 8 0 2 35.636 71.273 0.378 4.0 4 193.1 278.8 131 1 2 6 35.783 71.566 0.38 3.97 8 194.4 560.2 132 2 0 8 35.921 71.843 0.381 3.94 4 97.4 69.9 133 6 1 5 35.961 71.921 0.381 3.93 8 340.0 1697.5 134 5 1 6 36.013 72.025 0.382 3.92 8 155.5 353.9 135 0 3 1 36.435 72.871 0.386 3.83 4 135.8 132.1 136 6 2 2 36.531 73.063 0.386 3.81 8 84.2 101.1 137 2 2 6 36.682 73.364 0.388 3.78 8 157.7 351.6 138 1 3 1 36.734 73.468 0.388 3.77 8 137.8 267.8 139 8 1 0 36.74 73.481 0.388 3.77 4 146.8 151.8 140 5 2 4 36.886 73.772 0.39 3.74 8 96.2 129.5 141 4 2 5 36.928 73.856 0.39 3.73 8 148.8 308.9 142 6 0 6 36.985 73.971 0.391 3.72 4 246.1 421.5 143 8 1 1 37.043 74.086 0.391 3.71 8 212.0 623.5 144 7 1 4 37.113 74.226 0.392 3.7 8 168.2 391.1 145 8 0 3 37.156 74.312 0.392 3.69 4 107.2 79.3 146 4 1 7 37.267 74.535 0.393 3.67 8 337.9 1566.3 147 2 3 0 37.324 74.647 0.394 3.66 4 165.8 188.0 148 1 1 8 37.338 74.675 0.394 3.66 8 232.8 741.3 149 3 0 8 37.413 74.826 0.394 3.64 4 4.8 0.2 150 7 0 5 37.527 75.054 0.395 3.62 4 98.2 65.4 151 2 3 1 37.624 75.248 0.396 3.61 8 155.4 325.7 152 1 3 2 37.638 75.276 0.396 3.61 8 219.6 649.9 153 5 0 7 37.639 75.278 0.396 3.6 4 69.1 32.2 154 8 1 2 37.944 75.889 0.399 3.55 8 165.0 361.7 155 6 2 3 38.037 76.074 0.4 3.54 8 70.2 65.3 156 3 2 6 38.162 76.325 0.401 3.52 8 21.5 6.1 157 2 1 8 38.223 76.446 0.402 3.51 8 54.1 38.3 158 2 3 2 38.521 77.042 0.404 3.46 8 200.3 518.9 159 0 3 3 38.837 77.674 0.407 3.41 4 218.3 303.9 160 3 3 1 39.093 78.185 0.409 3.38 8 23.0 6.7 161 1 3 3 39.129 78.259 0.41 3.37 8 159.3 319.8 162 8 0 4 39.247 78.494 0.411 3.35 4 100.1 62.9 163 6 1 6 39.265 78.529 0.411 3.35 8 28.1 9.9 164 8 1 3 39.432 78.864 0.412 3.33 8 19.8 4.9 165 7 2 1 39.464 78.928 0.413 3.32 8 41.0 20.9 166 4 0 8 39.467 78.935 0.413 3.32 4 126.3 99.0 167 5 2 5 39.574 79.148 0.414 3.31 8 67.8 56.8 168 1 2 7 39.684 79.368 0.414 3.3 8 12.7 2.0 169 3 1 8 39.684 79.369 0.414 3.3 8 80.1 79.1 170 9 0 1 39.76 79.52 0.415 3.29 4 314.2 606.4 171 7 1 5 39.796 79.592 0.415 3.28 8 132.1 214.1 172 5 1 7 39.906 79.812 0.416 3.27 8 41.8 21.3 173 3 3 2 39.979 79.959 0.417 3.26 8 123.5 185.7 174 2 3 3 40.002 80.005 0.417 3.25 8 30.6 11.4 175 6 2 4 40.114 80.227 0.418 3.24 8 77.9 73.4 176 1 0 9 40.126 80.253 0.418 3.24 4 187.5 212.9 177 4 2 6 40.205 80.41 0.419 3.23 8 191.7 443.7 178 7 2 2 40.349 80.697 0.42 3.21 8 22.0 5.8 179 2 2 7 40.554 81.108 0.422 3.19 8 216.3 557.6 180 9 0 2 40.643 81.287 0.423 3.18 4 68.3 27.7 181 7 0 6 40.789 81.578 0.424 3.16 4 182.7 197.2 182 4 3 0 40.83 81.659 0.424 3.16 4 206.6 251.8 183 6 0 7 40.848 81.697 0.425 3.15 4 60.2 21.3 184 2 0 9 40.994 81.988 0.426 3.14 4 118.9 82.9 185 4 3 1 41.123 82.246 0.427 3.12 8 223.0 580.7 186 1 3 4 41.191 82.382 0.427 3.12 8 131.5 201.6 187 3 3 3 41.447 82.895 0.43 3.09 8 30.4 10.7 188 8 1 4 41.49 82.98 0.43 3.09 8 149.9 259.4 189 4 1 8 41.708 83.416 0.432 3.07 8 8.0 0.7 190 7 2 3 41.814 83.628 0.433 3.06 8 297.7 1012.3 191 8 0 5 41.892 83.784 0.433 3.05 4 128.1 93.5 192 3 2 7 41.995 83.99 0.434 3.04 8 47.4 25.5 193 9 1 1 41.997 83.994 0.434 3.04 8 3.2 0.1 194 4 3 2 42.0 84.0 0.434 3.04 8 156.7 278.7 195 2 3 4 42.054 84.109 0.435 3.03 8 133.2 201.3 196 5 0 8 42.069 84.137 0.435 3.03 4 197.2 220.5 197 0 1 9 42.072 84.145 0.435 3.03 4 313.8 558.1 198 9 0 3 42.107 84.213 0.435 3.03 4 17.0 1.6 199 1 1 9 42.359 84.719 0.437 3.01 8 50.4 28.5 200 3 0 9 42.433 84.865 0.438 3.0 4 224.3 282.1 201 6 2 5 42.747 85.495 0.441 2.97 8 33.8 12.7 202 5 2 6 42.797 85.594 0.441 2.97 8 101.7 114.9 203 9 1 2 42.872 85.743 0.442 2.96 8 7.4 0.6 204 7 1 6 43.016 86.032 0.443 2.95 8 175.8 341.1 205 6 1 7 43.075 86.15 0.443 2.95 8 23.9 6.3 206 2 1 9 43.219 86.439 0.445 2.94 8 18.5 3.8 207 4 3 3 43.456 86.912 0.446 2.92 8 39.3 16.9 208 3 3 4 43.488 86.975 0.447 2.92 8 319.0 1110.5 209 8 2 0 43.494 86.987 0.447 2.92 4 95.6 49.8 210 0 3 5 43.528 87.057 0.447 2.92 4 313.3 535.0 211 5 3 1 43.706 87.412 0.449 2.9 8 154.5 259.2 212 0 2 8 43.782 87.565 0.449 2.9 4 202.5 222.1 213 8 2 1 43.784 87.569 0.449 2.9 8 37.0 14.8 214 1 3 5 43.814 87.629 0.449 2.9 8 68.8 51.2 215 7 2 4 43.852 87.704 0.45 2.89 8 194.8 410.7 216 4 2 7 44.001 88.002 0.451 2.88 8 138.3 206.2 217 1 2 8 44.068 88.137 0.451 2.88 8 142.8 219.5 218 8 1 5 44.111 88.222 0.452 2.88 8 98.9 105.3 219 9 0 4 44.143 88.287 0.452 2.88 4 26.3 3.7 220 5 1 8 44.287 88.574 0.453 2.87 8 223.7 536.1 221 9 1 3 44.325 88.65 0.454 2.86 8 61.0 39.9 222 4 0 9 44.436 88.873 0.454 2.86 4 169.8 154.1 223 5 3 2 44.577 89.155 0.456 2.85 8 189.1 380.9 224 7 0 7 44.578 89.156 0.456 2.85 4 0.2 0.0 225 3 1 9 44.649 89.299 0.456 2.85 8 5.8 0.4 226 8 2 2 44.655 89.311 0.456 2.85 8 174.9 325.4 227 2 3 5 44.672 89.344 0.456 2.85 8 31.7 10.7 228 2 2 8 44.926 89.852 0.458 2.83 8 87.8 81.6 229 10 0 0 44.929 89.857 0.458 2.83 2 62.7 10.4 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 2 0 0 8.12 16.24 5.4535 1728.8 12.7 12.8 5.6 2 0 0 2 8.184 16.368 5.411 754.7 5.5 5.6 5.6 3 2 0 1 9.1 18.201 4.87008 1039.7 7.6 7.7 5.6 4 1 0 2 9.144 18.287 4.84728 1029.1 7.6 7.6 5.6 5 2 0 2 11.568 23.137 3.84109 5854.3 43.0 43.2 5.6 6 0 1 1 12.066 24.132 3.68491 2730.5 20.1 20.2 5.6 7 1 1 1 12.747 25.494 3.49106 4557.5 33.5 33.6 5.6 8 3 0 1 12.915 25.83 3.44638 8780.4 64.5 64.7 5.6 9 1 0 3 12.997 25.995 3.42488 7446.2 54.7 54.9 5.6 10 2 1 0 14.007 28.013 3.18254 2917.1 21.4 21.5 5.6 11 1 1 2 14.64 29.281 3.0476 13603.9 100.0 100.0 5.6 12 3 0 2 14.788 29.577 3.01774 660.2 4.9 4.9 5.6 13 2 0 3 14.834 29.668 3.00868 1211.6 8.9 8.9 5.6 14 2 1 2 16.308 32.615 2.74323 6132.4 45.1 45.0 5.6 15 4 0 0 16.409 32.818 2.72675 366.3 2.7 2.7 5.6 16 0 1 3 16.871 33.742 2.65415 3444.0 25.3 25.2 5.7 17 4 0 1 16.937 33.874 2.64411 264.2 1.9 1.9 5.7 18 1 0 4 17.058 34.116 2.62592 405.5 3.0 3.0 5.7 19 1 1 3 17.379 34.757 2.5789 3305.7 24.3 24.2 5.7 20 3 0 3 17.506 35.012 2.56073 141.0 1.0 1.0 5.7 21 4 0 2 18.441 36.882 2.43504 3456.1 25.4 25.2 5.7 22 2 0 4 18.531 37.062 2.42364 1493.2 11.0 10.9 5.7 23 3 1 2 18.793 37.586 2.39104 1677.4 12.3 12.2 5.7 24 4 1 0 20.129 40.258 2.23829 1894.6 13.9 13.8 5.7 25 4 1 1 20.574 41.149 2.1919 4211.7 31.0 30.6 5.7 26 1 1 4 20.677 41.354 2.1815 1448.9 10.7 10.5 5.7 27 4 0 3 20.739 41.478 2.17523 544.5 4.0 4.0 5.7 28 1 0 5 21.274 42.548 2.123 340.1 2.5 2.5 5.7 29 4 1 2 21.865 43.73 2.06832 1776.8 13.1 12.9 5.7 30 2 1 4 21.943 43.886 2.06132 1276.1 9.4 9.3 5.7 31 5 0 2 22.379 44.757 2.02318 315.9 2.3 2.3 5.7 32 2 0 5 22.513 45.026 2.01175 1113.0 8.2 8.1 5.7 33 0 2 0 23.147 46.294 1.95955 3625.8 26.7 26.2 5.7 34 4 0 4 23.645 47.291 1.92055 482.4 3.5 3.5 5.7 35 3 1 4 23.934 47.868 1.89873 5826.3 42.8 42.1 5.7 36 0 1 5 23.988 47.977 1.89466 2795.8 20.6 20.2 5.7 37 5 1 1 24.227 48.453 1.87714 1327.3 9.8 9.6 5.7 38 5 0 3 24.372 48.743 1.86664 2033.3 14.9 14.7 5.7 39 3 0 5 24.468 48.935 1.85978 1839.6 13.5 13.3 5.7 40 2 2 0 24.689 49.378 1.84412 305.5 2.2 2.2 5.7 41 1 2 2 25.087 50.174 1.81672 1879.8 13.8 13.5 5.7 42 0 0 6 25.281 50.563 1.80367 678.6 5.0 4.9 5.8 43 5 1 2 25.37 50.741 1.79776 1764.7 13.0 12.7 5.8 44 1 0 6 25.649 51.299 1.7795 749.5 5.5 5.4 5.8 45 2 2 2 26.186 52.372 1.74553 1387.4 10.2 10.0 5.8 46 4 1 4 26.528 53.057 1.7246 322.2 2.4 2.3 5.8 47 2 0 6 26.732 53.464 1.71244 443.7 3.3 3.2 5.8 48 3 2 1 26.884 53.768 1.70345 2494.6 18.3 17.9 5.8 49 1 2 3 26.929 53.858 1.70084 2165.2 15.9 15.5 5.8 50 5 0 4 26.975 53.949 1.69817 161.5 1.2 1.2 5.8 51 4 0 5 27.025 54.049 1.69526 383.5 2.8 2.7 5.8 52 5 1 3 27.198 54.397 1.68525 508.5 3.7 3.6 5.8 53 3 1 5 27.287 54.574 1.6802 152.0 1.1 1.1 5.8 54 6 1 0 27.846 55.692 1.64907 267.8 2.0 1.9 5.8 55 2 2 3 27.977 55.953 1.642 598.0 4.4 4.3 5.8 56 6 1 1 28.196 56.392 1.63025 529.0 3.9 3.8 5.8 57 1 1 6 28.385 56.77 1.62029 319.0 2.3 2.3 5.8 58 4 2 0 28.951 57.903 1.59127 148.2 1.1 1.1 5.8 59 1 2 4 29.372 58.744 1.57047 200.5 1.5 1.4 5.8 60 4 2 2 30.302 60.605 1.52662 1619.2 11.9 11.5 5.8 61 2 2 4 30.364 60.729 1.5238 701.6 5.2 5.0 5.8 62 4 0 6 30.8 61.599 1.50434 465.3 3.4 3.3 5.8 63 6 1 3 30.903 61.807 1.49979 430.6 3.2 3.1 5.8 64 3 1 6 31.041 62.083 1.49379 343.8 2.5 2.4 5.8 65 2 0 7 31.19 62.38 1.48739 574.9 4.2 4.1 5.8 66 4 2 3 31.943 63.885 1.45591 306.1 2.3 2.2 5.9 67 1 2 5 32.34 64.68 1.43993 198.6 1.5 1.4 5.9 68 7 1 1 32.462 64.923 1.43512 826.7 6.1 5.8 5.9 69 7 0 3 32.582 65.164 1.43041 1088.2 8.0 7.7 5.9 70 5 2 2 33.178 66.356 1.40757 221.5 1.6 1.6 5.9 71 2 2 5 33.281 66.562 1.4037 787.5 5.8 5.5 5.9 72 7 1 2 33.416 66.832 1.3987 634.9 4.7 4.5 5.9 73 2 1 7 33.636 67.272 1.39061 1750.4 12.9 12.3 5.9 74 4 2 4 34.166 68.331 1.37161 325.5 2.4 2.3 5.9 75 0 0 8 34.71 69.419 1.35275 210.2 1.5 1.5 5.9 76 5 2 3 34.744 69.489 1.35157 1250.9 9.2 8.8 5.9 77 7 0 4 34.784 69.568 1.35023 362.4 2.7 2.5 5.9 78 3 2 5 34.821 69.643 1.34896 1290.8 9.5 9.0 5.9 79 4 0 7 34.942 69.885 1.34488 181.5 1.3 1.3 5.9 80 7 1 3 34.977 69.954 1.34371 233.4 1.7 1.6 5.9 81 1 0 8 35.014 70.029 1.34246 193.1 1.4 1.3 5.9 82 6 2 0 35.309 70.618 1.33269 1150.8 8.5 8.0 5.9 83 0 2 6 35.481 70.962 1.32708 500.3 3.7 3.5 5.9 84 8 0 2 35.636 71.273 1.32205 290.5 2.1 2.0 5.9 85 1 2 6 35.783 71.566 1.31736 560.2 4.1 3.9 5.9 86 6 1 5 35.961 71.921 1.31172 1697.5 12.5 11.8 5.9 87 5 1 6 36.013 72.025 1.31008 353.9 2.6 2.5 5.9 88 2 2 6 36.682 73.364 1.28945 351.6 2.6 2.4 6.0 89 1 3 1 36.734 73.468 1.28788 419.6 3.1 2.9 6.0 90 4 2 5 36.928 73.856 1.28206 308.9 2.3 2.1 6.0 91 6 0 6 36.985 73.971 1.28036 421.5 3.1 2.9 6.0 92 8 1 1 37.043 74.086 1.27866 623.5 4.6 4.3 6.0 93 7 1 4 37.113 74.226 1.27659 391.1 2.9 2.7 6.0 94 4 1 7 37.267 74.535 1.27206 1566.3 11.5 10.9 6.0 95 1 1 8 37.338 74.675 1.27002 929.3 6.8 6.4 6.0 96 1 3 2 37.638 75.276 1.26136 1007.8 7.4 7.0 6.0 97 8 1 2 37.944 75.889 1.2527 361.7 2.7 2.5 6.0 98 2 3 2 38.521 77.042 1.23679 518.9 3.8 3.6 6.0 99 0 3 3 38.837 77.674 1.2283 303.9 2.2 2.1 6.0 100 1 3 3 39.129 78.259 1.22059 319.8 2.4 2.2 6.0 101 9 0 1 39.76 79.52 1.20436 606.4 4.5 4.2 6.0 102 7 1 5 39.796 79.592 1.20345 214.1 1.6 1.5 6.0 103 3 3 2 39.979 79.959 1.19886 197.1 1.4 1.3 6.0 104 1 0 9 40.126 80.253 1.1952 286.3 2.1 2.0 6.0 105 4 2 6 40.205 80.41 1.19326 443.7 3.3 3.0 6.0 106 2 2 7 40.554 81.108 1.18475 557.6 4.1 3.8 6.1 107 7 0 6 40.789 81.578 1.1791 197.2 1.4 1.3 6.1 108 4 3 0 40.83 81.659 1.17814 273.1 2.0 1.9 6.1 109 4 3 1 41.123 82.246 1.17122 580.7 4.3 4.0 6.1 110 1 3 4 41.191 82.382 1.16962 201.6 1.5 1.4 6.1 111 8 1 4 41.49 82.98 1.16271 259.4 1.9 1.8 6.1 112 7 2 3 41.814 83.628 1.15534 1012.3 7.4 6.9 6.1 113 4 3 2 42.0 84.0 1.15117 304.4 2.2 2.1 6.1 114 0 1 9 42.072 84.145 1.14955 979.8 7.2 6.6 6.1 115 3 0 9 42.433 84.865 1.14163 282.1 2.1 1.9 6.1 116 7 1 6 43.016 86.032 1.1291 341.1 2.5 2.3 6.1 117 3 3 4 43.488 86.975 1.11927 1160.3 8.5 7.8 6.1 118 0 3 5 43.528 87.057 1.11843 535.0 3.9 3.6 6.1 119 5 3 1 43.706 87.412 1.1148 259.2 1.9 1.7 6.2 120 0 2 8 43.782 87.565 1.11325 237.0 1.7 1.6 6.2 121 7 2 4 43.852 87.704 1.11184 410.7 3.0 2.8 6.2 122 4 2 7 44.001 88.002 1.10885 206.2 1.5 1.4 6.2 123 1 2 8 44.068 88.137 1.10749 219.5 1.6 1.5 6.2 124 5 1 8 44.287 88.574 1.10316 536.1 3.9 3.6 6.2 125 4 0 9 44.436 88.873 1.10022 154.1 1.1 1.0 6.2 126 5 3 2 44.577 89.155 1.09747 380.9 2.8 2.5 6.2 127 8 2 2 44.655 89.311 1.09595 336.1 2.5 2.2 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) |