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 2, t-stibnite, syn, at 0.0001 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 = 11.269 alpha = 90.0 b = 3.9717 beta = 90.0 c = 11.129 gamma = 90.0 Unit cell volume (cub. angs.) = 498.1 Molar volume ( cub.cm/mol.) = 75.01 Co-ordinates, thermal parameters, occupation for atomic positions: NoP x/a y/b z/c B(j) atom / occupation 1 0.0164 0.25 0.6745 0.0 Bi = 1.00 2 0.3406 0.25 0.4661 0.0 Bi = 1.00 3 0.0494 0.25 0.1311 0.0 S = 1.00 4 0.3773 0.25 0.0604 0.0 S = 1.00 5 0.2165 0.25 0.8069 0.0 S = 1.00 Co-ordinates for all atomic positions : No NoP x/a y/b z/c 1 1 0.0164 0.25 0.6745 2 2 0.3406 0.25 0.4661 3 3 0.0494 0.25 0.1311 4 4 0.3773 0.25 0.0604 5 5 0.2165 0.25 0.8069 6 1 0.4836 0.75 0.1745 7 2 0.1594 0.75 0.9661 8 3 0.4506 0.75 0.6311 9 4 0.1227 0.75 0.5604 10 5 0.2835 0.75 0.3069 11 1 0.5164 0.25 0.8255 12 2 0.8406 0.25 0.0339 13 3 0.5494 0.25 0.3689 14 4 0.8773 0.25 0.4396 15 5 0.7165 0.25 0.6931 16 1 0.9836 0.75 0.3255 17 2 0.6594 0.75 0.5339 18 3 0.9506 0.75 0.8689 19 4 0.6227 0.75 0.9396 20 5 0.7835 0.75 0.1931 X-ray density (g/cm cub.) = 6.85 MU (1/cm) = 1451.438 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 2.6937 5 2.644 4 2.644 4 3.0481 4 3.3859 5 3.0289 3 3.0289 3 2 Bi 3.624 7 2.9753 3 2.9753 3 3.3278 4 3.3278 4 2.738 5 2.738 5 2.5897 3 3 S 4.368 11 3.9717 3 3.9717 3 3.7779 4 4.0699 5 3.8381 5 3.8381 5 3.9432 4 3.7011 3 3.7011 3 3.6604 5 3.6604 5 4 S 4.368 9 3.7779 3 3.9717 4 3.9717 4 3.353 5 3.5478 5 3.5478 5 3.9432 3 3.6604 4 3.6604 4 5 S 4.368 10 4.0699 3 3.353 4 3.9717 5 3.9717 5 3.8381 3 3.8381 3 3.5478 4 3.5478 4 3.6604 3 3.6604 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 5.582 11.165 0.063 208.38 4 25.5 217.8 2 2 0 0 7.857 15.715 0.089 104.07 2 162.9 2226.7 3 0 0 2 7.957 15.914 0.09 101.43 2 91.5 684.1 4 2 0 1 8.814 17.628 0.099 82.25 4 129.4 2219.8 5 1 0 2 8.881 17.762 0.1 80.98 4 69.7 634.8 6 2 0 2 11.219 22.437 0.126 49.94 4 237.3 4535.7 7 0 1 1 11.884 23.767 0.134 44.28 4 183.7 2408.7 8 3 0 1 12.499 24.999 0.14 39.83 4 351.7 7944.9 9 1 1 1 12.531 25.062 0.141 39.62 8 181.9 4225.2 10 1 0 3 12.627 25.254 0.142 38.99 4 333.7 6997.3 11 2 1 0 13.726 27.452 0.154 32.68 4 195.5 2012.9 12 2 1 1 14.31 28.62 0.16 29.91 8 190.1 3486.9 13 3 0 2 14.324 28.649 0.161 29.85 4 145.0 1011.2 14 1 1 2 14.353 28.705 0.161 29.72 8 299.5 8594.4 15 2 0 3 14.395 28.79 0.161 29.53 4 158.1 1190.8 16 4 0 0 15.868 31.735 0.177 23.97 2 71.5 98.9 17 2 1 2 15.945 31.889 0.178 23.72 8 306.5 7184.3 18 0 0 4 16.073 32.145 0.18 23.31 2 52.4 51.6 19 4 0 1 16.382 32.764 0.183 22.37 4 13.1 6.2 20 0 1 3 16.507 33.013 0.184 22.0 4 293.9 3063.9 21 1 0 4 16.569 33.138 0.185 21.83 4 118.3 492.5 22 3 1 1 16.895 33.789 0.189 20.92 8 27.8 52.0 23 3 0 3 16.968 33.935 0.189 20.73 4 54.7 100.0 24 1 1 3 16.992 33.984 0.19 20.66 8 190.2 2409.5 25 4 0 2 17.846 35.692 0.199 18.56 4 352.4 3716.5 26 2 0 4 17.985 35.97 0.2 18.25 4 197.0 1141.6 27 3 1 2 18.323 36.645 0.204 17.52 8 160.7 1459.1 28 2 1 3 18.379 36.758 0.205 17.4 8 23.2 30.3 29 4 1 0 19.586 39.171 0.218 15.12 4 303.7 2249.2 30 4 1 1 20.016 40.033 0.222 14.41 8 275.5 3525.4 31 4 0 3 20.079 40.159 0.223 14.31 4 138.2 440.8 32 3 0 4 20.153 40.306 0.224 14.19 4 107.4 264.1 33 1 1 4 20.174 40.348 0.224 14.16 8 164.7 1239.1 34 5 0 1 20.408 40.817 0.226 13.8 4 15.4 5.3 35 3 1 3 20.512 41.023 0.227 13.65 8 65.2 186.8 36 1 0 5 20.656 41.312 0.229 13.43 4 113.1 276.9 37 4 1 2 21.264 42.529 0.235 12.59 8 134.1 729.7 38 2 1 4 21.384 42.769 0.237 12.43 8 190.0 1447.5 39 5 0 2 21.638 43.276 0.239 12.11 4 207.7 841.7 40 2 0 5 21.845 43.689 0.242 11.85 4 217.0 899.5 41 0 2 0 22.823 45.646 0.252 10.74 2 613.7 3259.2 42 4 0 4 22.899 45.798 0.253 10.65 4 188.3 608.9 43 4 1 3 23.223 46.447 0.256 10.32 8 77.3 198.9 44 3 1 4 23.289 46.577 0.257 10.26 8 402.0 5343.5 45 0 1 5 23.373 46.745 0.258 10.17 4 401.6 2645.7 46 5 1 1 23.516 47.033 0.259 10.03 8 182.6 1078.4 47 1 2 1 23.572 47.143 0.26 9.98 8 19.8 12.6 48 5 0 3 23.572 47.144 0.26 9.98 4 247.4 984.5 49 3 0 5 23.72 47.439 0.261 9.84 4 322.6 1650.4 50 1 1 5 23.738 47.476 0.261 9.82 8 93.8 278.6 51 6 0 0 24.213 48.425 0.266 9.39 2 401.5 1220.1 52 2 2 0 24.285 48.569 0.267 9.33 4 132.0 262.1 53 0 2 2 24.321 48.642 0.267 9.29 4 74.7 83.7 54 0 0 6 24.537 49.074 0.27 9.11 2 303.8 677.5 55 6 0 1 24.577 49.155 0.27 9.08 4 102.9 154.9 56 5 1 2 24.622 49.244 0.27 9.04 8 197.2 1133.3 57 2 2 1 24.649 49.297 0.271 9.02 8 102.5 305.6 58 1 2 2 24.676 49.351 0.271 8.99 8 57.7 96.6 59 2 1 5 24.809 49.619 0.272 8.88 8 47.3 64.0 60 1 0 6 24.89 49.779 0.273 8.82 4 208.7 619.1 61 6 0 2 25.649 51.298 0.281 8.24 4 102.4 139.2 62 2 2 2 25.718 51.436 0.282 8.19 8 199.9 1055.1 63 4 1 4 25.77 51.54 0.282 8.15 8 47.6 59.6 64 2 0 6 25.926 51.851 0.284 8.04 4 179.6 417.9 65 5 0 4 26.093 52.187 0.286 7.92 4 47.5 28.8 66 4 0 5 26.171 52.341 0.286 7.87 4 185.7 437.1 67 3 2 1 26.371 52.742 0.288 7.73 8 297.4 2204.3 68 5 1 3 26.388 52.776 0.288 7.72 8 237.1 1399.4 69 1 2 3 26.439 52.878 0.289 7.69 8 284.8 2009.7 70 3 1 5 26.524 53.048 0.29 7.63 8 121.3 361.9 71 6 1 0 26.979 53.959 0.294 7.34 4 307.9 1121.9 72 6 1 1 27.317 54.635 0.298 7.13 8 119.2 327.1 73 6 0 3 27.367 54.734 0.298 7.1 4 130.7 195.7 74 3 2 2 27.392 54.784 0.299 7.09 8 113.3 293.3 75 2 2 3 27.433 54.866 0.299 7.07 8 131.5 393.9 76 3 0 6 27.591 55.181 0.301 6.97 4 7.4 0.6 77 1 1 6 27.607 55.214 0.301 6.97 8 124.1 346.0 78 6 1 2 28.315 56.63 0.308 6.58 8 23.5 11.7 79 4 2 0 28.331 56.662 0.308 6.57 4 60.8 39.1 80 0 2 4 28.461 56.921 0.309 6.5 4 47.7 23.8 81 2 1 6 28.574 57.148 0.31 6.44 8 21.9 10.0 82 4 2 1 28.658 57.316 0.311 6.4 8 6.1 0.8 83 5 1 4 28.731 57.462 0.312 6.36 8 78.3 125.8 84 1 2 4 28.779 57.558 0.313 6.34 8 106.8 233.0 85 4 1 5 28.803 57.606 0.313 6.33 8 18.9 7.3 86 7 0 1 28.911 57.823 0.314 6.27 4 39.3 15.7 87 3 2 3 29.039 58.078 0.315 6.21 8 45.6 41.6 88 5 0 5 29.103 58.206 0.316 6.18 4 83.4 69.4 89 1 0 7 29.294 58.588 0.318 6.09 4 18.5 3.4 90 4 2 2 29.626 59.253 0.321 5.94 8 298.6 1707.4 91 6 0 4 29.658 59.316 0.321 5.92 4 92.4 81.5 92 2 2 4 29.721 59.442 0.322 5.9 8 166.4 526.3 93 4 0 6 29.815 59.631 0.323 5.85 4 194.0 355.2 94 7 0 2 29.874 59.749 0.323 5.83 4 71.5 48.0 95 6 1 3 29.929 59.858 0.324 5.8 8 141.0 372.3 96 3 1 6 30.14 60.281 0.326 5.71 8 134.6 333.8 97 2 0 7 30.226 60.452 0.327 5.68 4 286.1 749.3 98 4 2 3 31.198 62.397 0.336 5.29 8 119.5 243.7 99 3 2 4 31.252 62.504 0.337 5.27 8 92.8 146.4 100 7 1 1 31.393 62.786 0.338 5.22 8 216.4 788.2 101 5 2 1 31.439 62.877 0.339 5.2 8 11.3 2.1 102 7 0 3 31.439 62.878 0.339 5.2 4 332.7 928.3 103 0 1 7 31.458 62.916 0.339 5.2 4 26.6 5.9 104 5 1 5 31.576 63.151 0.34 5.15 8 31.3 16.2 105 1 2 5 31.621 63.242 0.34 5.14 8 98.1 159.5 106 3 0 7 31.743 63.485 0.342 5.1 4 44.9 16.5 107 1 1 7 31.758 63.516 0.342 5.09 8 51.7 43.9 108 6 1 4 32.105 64.21 0.345 4.97 8 28.4 13.0 109 4 1 6 32.255 64.511 0.346 4.92 8 126.0 251.9 110 7 1 2 32.312 64.623 0.347 4.9 8 187.9 557.9 111 5 2 2 32.356 64.713 0.347 4.89 8 180.9 515.8 112 6 0 5 32.454 64.908 0.348 4.86 4 154.3 186.4 113 2 2 5 32.514 65.027 0.349 4.84 8 187.4 547.9 114 5 0 6 32.536 65.073 0.349 4.83 4 164.1 209.6 115 2 1 7 32.648 65.297 0.35 4.79 8 287.4 1276.4 116 8 0 0 33.15 66.3 0.355 4.64 2 115.5 49.9 117 4 2 4 33.327 66.654 0.357 4.59 8 164.8 401.6 118 8 0 1 33.449 66.898 0.358 4.55 4 135.9 135.6 119 7 0 4 33.559 67.119 0.359 4.52 4 275.8 554.4 120 0 0 8 33.622 67.244 0.359 4.5 2 233.1 197.3 121 4 0 7 33.802 67.603 0.361 4.45 4 81.4 47.6 122 7 1 3 33.813 67.625 0.361 4.45 8 4.9 0.3 123 5 2 3 33.856 67.713 0.362 4.44 8 218.0 680.0 124 1 0 8 33.912 67.823 0.362 4.42 4 149.9 160.2 125 3 2 5 33.974 67.947 0.363 4.41 8 282.6 1134.4 126 3 1 7 34.105 68.21 0.364 4.37 8 4.2 0.2 127 8 0 2 34.338 68.677 0.366 4.31 4 84.9 50.1 128 6 2 0 34.367 68.735 0.366 4.3 4 354.4 871.1 129 0 2 6 34.629 69.257 0.369 4.24 4 267.8 489.9 130 6 2 1 34.661 69.322 0.369 4.23 8 90.9 112.7 131 2 0 8 34.774 69.547 0.37 4.2 4 97.3 64.1 132 6 1 5 34.792 69.583 0.37 4.2 8 304.7 1256.1 133 5 1 6 34.871 69.742 0.371 4.18 8 106.4 152.6 134 1 2 6 34.914 69.829 0.372 4.17 8 183.8 453.9 135 8 1 0 35.465 70.93 0.377 4.04 4 62.1 25.1 136 6 2 2 35.536 71.073 0.377 4.02 8 90.5 106.2 137 6 0 6 35.708 71.417 0.379 3.98 4 215.2 297.4 138 8 1 1 35.755 71.51 0.379 3.97 8 136.8 239.5 139 2 2 6 35.765 71.531 0.379 3.97 8 159.3 324.9 140 8 0 3 35.798 71.596 0.38 3.96 4 100.1 64.0 141 7 1 4 35.862 71.724 0.38 3.95 8 82.5 86.8 142 0 3 1 35.869 71.737 0.38 3.95 4 135.9 117.5 143 5 2 4 35.905 71.809 0.381 3.94 8 42.3 22.7 144 4 2 5 35.969 71.938 0.381 3.93 8 165.1 345.2 145 4 1 7 36.097 72.194 0.382 3.9 8 361.1 1639.5 146 1 3 1 36.15 72.3 0.383 3.89 8 140.9 248.9 147 3 0 8 36.19 72.38 0.383 3.88 4 13.5 1.1 148 7 0 5 36.193 72.387 0.383 3.88 4 48.6 14.7 149 1 1 8 36.204 72.408 0.383 3.88 8 245.8 755.0 150 5 0 7 36.364 72.728 0.385 3.84 4 66.5 27.4 151 8 1 2 36.619 73.238 0.387 3.79 8 248.3 753.8 152 2 3 0 36.703 73.407 0.388 3.78 4 145.7 129.2 153 6 2 3 36.975 73.951 0.39 3.72 8 115.7 160.8 154 2 3 1 36.989 73.979 0.391 3.72 8 149.0 266.6 155 1 3 2 37.01 74.021 0.391 3.72 8 222.9 595.7 156 2 1 8 37.043 74.085 0.391 3.71 8 29.7 10.6 157 3 2 6 37.166 74.331 0.392 3.69 8 6.5 0.5 158 8 0 4 37.801 75.602 0.398 3.58 4 38.7 8.7 159 2 3 2 37.842 75.685 0.398 3.57 8 228.5 600.9 160 6 1 6 37.955 75.91 0.399 3.55 8 131.8 199.0 161 8 1 3 38.042 76.084 0.4 3.54 8 12.9 1.9 162 4 0 8 38.136 76.273 0.401 3.52 4 108.7 67.1 163 0 3 3 38.153 76.307 0.401 3.52 4 217.0 267.1 164 9 0 1 38.248 76.496 0.402 3.5 4 271.8 417.2 165 7 2 1 38.303 76.607 0.402 3.49 8 35.3 14.0 166 3 3 1 38.373 76.746 0.403 3.48 8 24.2 6.6 167 3 1 8 38.426 76.851 0.403 3.48 8 78.8 69.5 168 1 3 3 38.429 76.857 0.403 3.48 8 142.8 228.4 169 7 1 5 38.429 76.858 0.403 3.48 8 168.5 318.1 170 5 2 5 38.471 76.941 0.404 3.47 8 74.6 62.3 171 5 1 7 38.596 77.192 0.405 3.45 8 35.3 13.9 172 1 2 7 38.637 77.275 0.405 3.44 8 16.5 3.0 173 1 0 9 38.804 77.609 0.407 3.42 4 179.7 177.9 174 6 2 4 38.957 77.913 0.408 3.4 8 82.7 74.9 175 9 0 2 39.092 78.184 0.409 3.38 4 129.0 90.6 176 4 2 6 39.095 78.19 0.409 3.38 8 173.8 329.0 177 7 2 2 39.147 78.294 0.41 3.37 8 64.1 44.6 178 3 3 2 39.216 78.432 0.41 3.36 8 120.3 156.6 179 2 3 3 39.251 78.501 0.411 3.35 8 18.2 3.6 180 7 0 6 39.313 78.627 0.411 3.35 4 131.7 93.5 181 6 0 7 39.403 78.806 0.412 3.33 4 85.3 39.1 182 2 2 7 39.458 78.916 0.413 3.33 8 256.7 706.5 183 2 0 9 39.624 79.248 0.414 3.3 4 114.3 69.6 184 4 3 0 40.006 80.012 0.417 3.25 4 235.9 291.9 185 8 1 4 40.006 80.013 0.417 3.25 8 200.2 420.4 186 4 3 1 40.284 80.569 0.42 3.22 8 213.4 472.6 187 8 0 5 40.326 80.652 0.42 3.21 4 86.4 38.7 188 4 1 8 40.336 80.673 0.42 3.21 8 29.3 8.9 189 1 3 4 40.387 80.775 0.421 3.21 8 127.4 167.8 190 9 1 1 40.446 80.893 0.421 3.2 8 127.8 168.5 191 9 0 3 40.488 80.975 0.421 3.2 4 42.0 9.1 192 7 2 3 40.542 81.084 0.422 3.19 8 299.5 922.3 193 5 0 8 40.594 81.188 0.422 3.18 4 258.8 343.6 194 3 3 3 40.61 81.221 0.423 3.18 8 50.3 26.0 195 0 1 9 40.724 81.448 0.423 3.17 4 322.7 532.1 196 3 2 7 40.816 81.633 0.424 3.16 8 40.3 16.6 197 3 0 9 40.981 81.962 0.426 3.14 4 224.6 255.4 198 1 1 9 40.995 81.989 0.426 3.14 8 55.0 30.6 199 4 3 2 41.117 82.234 0.427 3.13 8 104.7 110.5 200 2 3 4 41.199 82.399 0.428 3.12 8 148.6 222.0 201 9 1 2 41.278 82.557 0.428 3.11 8 45.6 20.9 202 6 2 5 41.463 82.925 0.43 3.09 8 139.3 193.2 203 7 1 6 41.497 82.994 0.43 3.09 8 211.7 446.1 204 5 2 6 41.538 83.076 0.43 3.08 8 147.6 216.5 205 6 1 7 41.586 83.172 0.431 3.08 8 41.8 17.4 206 2 1 9 41.804 83.608 0.433 3.06 8 0.8 0.0 207 8 2 0 42.1 84.201 0.435 3.03 4 104.3 53.2 208 8 2 1 42.376 84.752 0.437 3.0 8 122.5 145.4 209 9 0 4 42.424 84.848 0.438 3.0 4 197.8 189.2 210 7 2 4 42.478 84.956 0.438 3.0 8 249.7 602.6 211 4 3 3 42.498 84.997 0.439 2.99 8 61.1 36.1 212 8 1 5 42.499 84.998 0.439 2.99 8 117.3 132.8 213 0 2 8 42.536 85.072 0.439 2.99 4 211.2 215.1 214 3 3 4 42.546 85.092 0.439 2.99 8 319.4 983.6 215 0 3 5 42.607 85.214 0.439 2.99 4 319.0 489.8 216 9 1 3 42.659 85.317 0.44 2.98 8 99.5 95.2 217 4 2 7 42.703 85.405 0.44 2.98 8 73.7 52.2 218 5 3 1 42.713 85.425 0.44 2.98 8 145.1 202.0 219 5 1 8 42.764 85.528 0.441 2.97 8 168.3 271.6 220 1 2 8 42.805 85.609 0.441 2.97 8 135.6 175.9 221 4 0 9 42.866 85.732 0.442 2.96 4 175.4 147.1 222 1 3 5 42.876 85.751 0.442 2.96 8 75.1 53.8 223 7 0 7 42.917 85.834 0.442 2.96 4 6.4 0.2 224 10 0 0 43.121 86.242 0.444 2.94 2 71.8 12.2 225 3 1 9 43.148 86.296 0.444 2.94 8 52.3 25.9 226 8 2 2 43.202 86.404 0.444 2.94 8 76.7 55.7 227 8 0 6 43.365 86.731 0.446 2.93 4 88.4 36.9 228 10 0 1 43.396 86.792 0.446 2.92 4 159.7 120.3 229 5 3 2 43.538 87.076 0.447 2.91 8 157.8 234.0 230 6 0 8 43.555 87.111 0.447 2.91 4 145.4 99.3 231 2 2 8 43.609 87.219 0.448 2.91 8 87.7 72.2 232 2 3 5 43.68 87.361 0.448 2.91 8 38.2 13.7 233 0 0 10 43.8 87.599 0.449 2.9 2 115.6 31.2 234 1 0 10 44.067 88.135 0.451 2.88 4 147.5 101.0 235 10 0 2 44.22 88.44 0.453 2.87 4 207.5 199.3 236 4 3 4 44.423 88.846 0.454 2.86 8 38.5 13.7 237 6 2 6 44.491 88.982 0.455 2.86 8 195.5 352.1 238 8 2 3 44.576 89.151 0.456 2.85 8 91.0 76.1 239 9 1 4 44.583 89.165 0.456 2.85 8 229.9 485.5 240 2 0 10 44.871 89.741 0.458 2.83 4 0.6 0.0 241 9 0 5 44.898 89.796 0.458 2.83 4 110.4 55.7 242 5 3 3 44.911 89.822 0.458 2.83 8 191.5 335.0 243 3 2 8 44.948 89.897 0.459 2.83 8 12.3 1.4 244 7 2 5 44.952 89.904 0.459 2.83 8 44.3 18.0 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 0 1 5.582 11.165 7.91843 217.8 2.5 2.6 5.6 2 2 0 0 7.857 15.715 5.6345 2226.7 25.9 26.2 5.6 3 0 0 2 7.957 15.914 5.5645 684.1 8.0 8.0 5.6 4 2 0 1 8.814 17.628 5.02694 2219.8 25.8 26.0 5.6 5 1 0 2 8.881 17.762 4.98938 634.8 7.4 7.4 5.6 6 2 0 2 11.219 22.437 3.95921 4535.7 52.8 53.0 5.6 7 0 1 1 11.884 23.767 3.74063 2408.7 28.0 28.1 5.6 8 3 0 1 12.499 24.999 3.55907 7944.9 92.4 92.7 5.6 9 1 1 1 12.531 25.062 3.55015 4225.2 49.2 49.3 5.6 10 1 0 3 12.627 25.254 3.52365 6997.3 81.4 81.6 5.6 11 2 1 0 13.726 27.452 3.24627 2012.9 23.4 23.4 5.6 12 2 1 1 14.31 28.62 3.11639 4498.1 52.3 52.3 5.6 13 1 1 2 14.353 28.705 3.10738 8594.4 100.0 100.0 5.6 14 2 0 3 14.395 28.79 3.09842 1190.8 13.9 13.9 5.6 15 4 0 0 15.868 31.735 2.81725 98.9 1.2 1.1 5.6 16 2 1 2 15.945 31.889 2.80399 7184.3 83.6 83.4 5.6 17 0 1 3 16.507 33.013 2.71104 3063.9 35.6 35.5 5.6 18 1 0 4 16.569 33.138 2.70114 492.5 5.7 5.7 5.6 19 1 1 3 16.992 33.984 2.63583 2509.5 29.2 29.1 5.7 20 4 0 2 17.846 35.692 2.51347 3716.5 43.2 43.0 5.7 21 2 0 4 17.985 35.97 2.49469 1141.6 13.3 13.2 5.7 22 3 1 2 18.323 36.645 2.45026 1459.1 17.0 16.9 5.7 23 4 1 0 19.586 39.171 2.29786 2249.2 26.2 25.9 5.7 24 4 1 1 20.016 40.033 2.25039 3525.4 41.0 40.6 5.7 25 4 0 3 20.079 40.159 2.2436 440.8 5.1 5.1 5.7 26 1 1 4 20.174 40.348 2.23354 1503.2 17.5 17.3 5.7 27 3 1 3 20.512 41.023 2.1983 186.8 2.2 2.1 5.7 28 1 0 5 20.656 41.312 2.18361 276.9 3.2 3.2 5.7 29 4 1 2 21.264 42.529 2.1239 729.7 8.5 8.4 5.7 30 2 1 4 21.384 42.769 2.11253 1447.5 16.8 16.6 5.7 31 5 0 2 21.638 43.276 2.08896 841.7 9.8 9.7 5.7 32 2 0 5 21.845 43.689 2.07013 899.5 10.5 10.3 5.7 33 0 2 0 22.823 45.646 1.98585 3259.2 37.9 37.3 5.7 34 4 0 4 22.899 45.798 1.97961 608.9 7.1 7.0 5.7 35 4 1 3 23.223 46.447 1.95346 198.9 2.3 2.3 5.7 36 3 1 4 23.289 46.577 1.94828 5343.5 62.2 61.1 5.7 37 0 1 5 23.373 46.745 1.94168 2645.7 30.8 30.3 5.7 38 5 1 1 23.516 47.033 1.93047 1078.4 12.5 12.3 5.7 39 5 0 3 23.572 47.144 1.92617 997.1 11.6 11.4 5.7 40 3 0 5 23.72 47.439 1.91488 1929.0 22.4 22.0 5.7 41 6 0 0 24.213 48.425 1.87817 1220.1 14.2 13.9 5.7 42 2 2 0 24.285 48.569 1.87293 262.1 3.0 3.0 5.7 43 0 0 6 24.537 49.074 1.85483 677.5 7.9 7.7 5.7 44 6 0 1 24.577 49.155 1.85198 154.9 1.8 1.8 5.7 45 5 1 2 24.622 49.244 1.84883 1438.9 16.7 16.4 5.7 46 1 2 2 24.676 49.351 1.84508 96.6 1.1 1.1 5.7 47 1 0 6 24.89 49.779 1.83021 619.1 7.2 7.1 5.7 48 6 0 2 25.649 51.298 1.77953 139.2 1.6 1.6 5.8 49 2 2 2 25.718 51.436 1.77508 1055.1 12.3 12.0 5.8 50 2 0 6 25.926 51.851 1.76183 417.9 4.9 4.7 5.8 51 4 0 5 26.171 52.341 1.74649 437.1 5.1 5.0 5.8 52 3 2 1 26.371 52.742 1.73417 3603.7 41.9 40.9 5.8 53 1 2 3 26.439 52.878 1.73002 2009.7 23.4 22.8 5.8 54 3 1 5 26.524 53.048 1.72487 361.9 4.2 4.1 5.8 55 6 1 0 26.979 53.959 1.69789 1121.9 13.1 12.7 5.8 56 6 1 1 27.317 54.635 1.67847 327.1 3.8 3.7 5.8 57 3 2 2 27.392 54.784 1.67426 489.0 5.7 5.5 5.8 58 2 2 3 27.433 54.866 1.67192 393.9 4.6 4.5 5.8 59 1 1 6 27.607 55.214 1.66221 346.0 4.0 3.9 5.8 60 5 1 4 28.731 57.462 1.60243 125.8 1.5 1.4 5.8 61 1 2 4 28.779 57.558 1.59998 240.3 2.8 2.7 5.8 62 4 2 2 29.626 59.253 1.5582 1707.4 19.9 19.2 5.8 63 2 2 4 29.721 59.442 1.55369 526.3 6.1 5.9 5.8 64 4 0 6 29.815 59.631 1.54921 355.2 4.1 4.0 5.8 65 6 1 3 29.929 59.858 1.54387 372.3 4.3 4.2 5.8 66 3 1 6 30.14 60.281 1.53406 333.8 3.9 3.8 5.8 67 2 0 7 30.226 60.452 1.53011 749.3 8.7 8.4 5.8 68 4 2 3 31.198 62.397 1.48702 243.7 2.8 2.7 5.8 69 3 2 4 31.252 62.504 1.48473 146.4 1.7 1.6 5.8 70 7 1 1 31.393 62.786 1.47873 788.2 9.2 8.8 5.9 71 0 1 7 31.458 62.916 1.47599 936.4 10.9 10.5 5.9 72 1 2 5 31.621 63.242 1.46916 159.5 1.9 1.8 5.9 73 4 1 6 32.255 64.511 1.4433 251.9 2.9 2.8 5.9 74 7 1 2 32.312 64.623 1.44106 557.9 6.5 6.2 5.9 75 5 2 2 32.356 64.713 1.43928 515.8 6.0 5.8 5.9 76 6 0 5 32.454 64.908 1.43542 186.4 2.2 2.1 5.9 77 2 2 5 32.514 65.027 1.43308 757.5 8.8 8.4 5.9 78 2 1 7 32.648 65.297 1.42782 1276.4 14.9 14.2 5.9 79 4 2 4 33.327 66.654 1.402 401.6 4.7 4.5 5.9 80 8 0 1 33.449 66.898 1.39748 135.6 1.6 1.5 5.9 81 7 0 4 33.559 67.119 1.39341 554.4 6.5 6.2 5.9 82 0 0 8 33.622 67.244 1.39113 197.3 2.3 2.2 5.9 83 5 2 3 33.856 67.713 1.38263 680.0 7.9 7.5 5.9 84 1 0 8 33.912 67.823 1.38064 160.2 1.9 1.8 5.9 85 3 2 5 33.974 67.947 1.37843 1134.4 13.2 12.6 5.9 86 6 2 0 34.367 68.735 1.36455 921.2 10.7 10.2 5.9 87 0 2 6 34.629 69.257 1.35552 489.9 5.7 5.4 5.9 88 6 2 1 34.661 69.322 1.3544 112.7 1.3 1.2 5.9 89 6 1 5 34.792 69.583 1.34996 1320.1 15.4 14.6 5.9 90 5 1 6 34.871 69.742 1.34727 152.6 1.8 1.7 5.9 91 1 2 6 34.914 69.829 1.34582 453.9 5.3 5.0 5.9 92 6 2 2 35.536 71.073 1.32528 106.2 1.2 1.2 5.9 93 6 0 6 35.708 71.417 1.31974 297.4 3.5 3.3 5.9 94 2 2 6 35.765 71.531 1.31792 564.4 6.6 6.2 5.9 95 0 3 1 35.869 71.737 1.31463 204.3 2.4 2.3 5.9 96 4 2 5 35.969 71.938 1.31146 345.2 4.0 3.8 5.9 97 4 1 7 36.097 72.194 1.30743 1639.5 19.1 18.1 5.9 98 1 3 1 36.15 72.3 1.30578 248.9 2.9 2.7 5.9 99 1 1 8 36.204 72.408 1.3041 770.9 9.0 8.5 5.9 100 8 1 2 36.619 73.238 1.29135 753.8 8.8 8.3 6.0 101 2 3 0 36.703 73.407 1.2888 129.2 1.5 1.4 6.0 102 1 3 2 37.01 74.021 1.27962 1023.1 11.9 11.2 6.0 103 2 3 2 37.842 75.685 1.25557 600.9 7.0 6.6 6.0 104 6 1 6 37.955 75.91 1.25241 199.0 2.3 2.2 6.0 105 0 3 3 38.153 76.307 1.24688 334.1 3.9 3.7 6.0 106 9 0 1 38.248 76.496 1.24426 417.2 4.9 4.6 6.0 107 7 1 5 38.429 76.858 1.2393 616.0 7.2 6.7 6.0 108 1 0 9 38.804 77.609 1.22918 177.9 2.1 1.9 6.0 109 4 2 6 39.095 78.19 1.22148 419.6 4.9 4.6 6.0 110 3 3 2 39.216 78.432 1.21832 156.6 1.8 1.7 6.0 111 7 0 6 39.313 78.627 1.21579 93.5 1.1 1.0 6.0 112 2 2 7 39.458 78.916 1.21206 706.5 8.2 7.7 6.0 113 8 1 4 40.006 80.013 1.19818 712.3 8.3 7.7 6.0 114 4 3 1 40.284 80.569 1.19131 472.6 5.5 5.1 6.1 115 1 3 4 40.387 80.775 1.18879 167.8 2.0 1.8 6.1 116 9 1 1 40.446 80.893 1.18736 168.5 2.0 1.8 6.1 117 7 2 3 40.542 81.084 1.18503 922.3 10.7 10.0 6.1 118 5 0 8 40.594 81.188 1.18378 369.6 4.3 4.0 6.1 119 0 1 9 40.724 81.448 1.18066 532.1 6.2 5.7 6.1 120 3 0 9 40.981 81.962 1.17455 286.0 3.3 3.1 6.1 121 4 3 2 41.117 82.234 1.17135 110.5 1.3 1.2 6.1 122 2 3 4 41.199 82.399 1.16943 222.0 2.6 2.4 6.1 123 6 2 5 41.463 82.925 1.16333 193.2 2.2 2.1 6.1 124 7 1 6 41.497 82.994 1.16254 446.1 5.2 4.8 6.1 125 5 2 6 41.538 83.076 1.16161 216.5 2.5 2.3 6.1 126 8 2 1 42.376 84.752 1.14286 145.4 1.7 1.6 6.1 127 9 0 4 42.424 84.848 1.14181 189.2 2.2 2.0 6.1 128 7 2 4 42.478 84.956 1.14063 771.5 9.0 8.3 6.1 129 3 3 4 42.546 85.092 1.13916 1198.6 13.9 12.8 6.1 130 0 3 5 42.607 85.214 1.13784 489.8 5.7 5.2 6.1 131 9 1 3 42.659 85.317 1.13673 95.2 1.1 1.0 6.1 132 5 3 1 42.713 85.425 1.13557 254.2 3.0 2.7 6.1 133 5 1 8 42.764 85.528 1.13447 271.6 3.2 2.9 6.1 134 1 2 8 42.805 85.609 1.1336 175.9 2.0 1.9 6.1 135 4 0 9 42.866 85.732 1.13229 200.9 2.3 2.1 6.1 136 10 0 1 43.396 86.792 1.12117 157.2 1.8 1.7 6.1 137 5 3 2 43.538 87.076 1.11824 333.4 3.9 3.6 6.1 138 1 0 10 44.067 88.135 1.10751 101.0 1.2 1.1 6.2 139 10 0 2 44.22 88.44 1.10448 199.3 2.3 2.1 6.2 140 6 2 6 44.491 88.982 1.09915 352.1 4.1 3.7 6.2 141 9 1 4 44.583 89.165 1.09736 561.7 6.5 5.9 6.2 142 5 3 3 44.911 89.822 1.09104 390.7 4.5 4.1 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) |