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 *** *********************** TANTALAESCHYNITE 6, t-aeschynite, Tb-analogue Tb(TiTa)O6 Orthorhombic P nma Z = 4 Pnma 21 .4 .14 Ref.Str.: Thorogood G.J., Avdeev M., Kennedy B.J. (2010) * Solid State Sciences, 12, 1263-1269 R: N.A.D. Initial data from BDM-file Lattice parameters (cub. angs.,degr.): a = 10.977 alpha = 90.0 b = 7.414 beta = 90.0 c = 5.238 gamma = 90.0 Unit cell volume (cub. angs.) = 426.29 Molar volume ( cub.cm/mol.) = 64.19 Co-ordinates, thermal parameters, occupation for atomic positions: NoP x/a y/b z/c B(j) atom / occupation 1 0.4596 0.75 0.0327 0.0 Nb = 1.00 2 0.6426 0.5068 0.4579 0.0 Ta = 0.5 , Ti = 0.5 3 0.4746 0.4576 0.2721 0.0 O = 1.00 4 0.2878 0.9375 0.8815 0.0 O = 1.00 5 0.3509 0.75 0.4446 0.0 O = 1.00 6 0.623 0.75 0.3274 0.0 O = 1.00 Co-ordinates for all atomic positions : No NoP x/a y/b z/c 1 1 0.4596 0.75 0.0327 2 2 0.6426 0.5068 0.4579 3 3 0.4746 0.4576 0.2721 4 4 0.2878 0.9375 0.8815 5 5 0.3509 0.75 0.4446 6 6 0.623 0.75 0.3274 7 1 0.0404 0.25 0.5327 8 2 0.8574 0.4932 0.9579 9 3 0.0254 0.5424 0.7721 10 4 0.2122 0.0625 0.3815 11 5 0.1491 0.25 0.9446 12 6 0.877 0.25 0.8274 13 2 0.8574 0.0068 0.9579 14 3 0.0254 0.9576 0.7721 15 4 0.2122 0.4375 0.3815 16 2 0.6426 0.9932 0.4579 17 3 0.4746 0.0424 0.2721 18 4 0.2878 0.5625 0.8815 19 1 0.9596 0.75 0.4673 20 2 0.1426 0.5068 0.0421 21 3 0.9746 0.4576 0.2279 22 4 0.7878 0.9375 0.6185 23 5 0.8509 0.75 0.0554 24 6 0.123 0.75 0.1726 25 1 0.5404 0.25 0.9673 26 2 0.3574 0.4932 0.5421 27 3 0.5254 0.5424 0.7279 28 4 0.7122 0.0625 0.1185 29 5 0.6491 0.25 0.5554 30 6 0.377 0.25 0.6726 31 2 0.3574 0.0068 0.5421 32 3 0.5254 0.9576 0.7279 33 4 0.7122 0.4375 0.1185 34 2 0.1426 0.9932 0.0421 35 3 0.9746 0.0424 0.2279 36 4 0.7878 0.5625 0.6185 X-ray density (g/cm cub.) = 6.51 MU (1/cm) = 861.671 Mass attenuation coefficient (cm**2/g) = 132.422 Selected interatomic distances (cation-anion,anion-anion): NoP Atom Rad.sph. C.N. Distance NoP N. (angs.) (angs.) 1 Nb 2.436 3 2.3664 6 2.3323 3 2.3323 3 2 Ta ,Ti 2.568 6 2.1168 3 1.9403 6 1.93 3 1.9725 5 2.002 4 1.8489 4 3 O 3.264 10 2.7129 5 2.7271 6 2.9406 4 3.0783 3 2.9992 4 2.5311 3 2.9718 3 2.8706 5 2.8138 6 2.7335 4 4 O 3.264 10 2.7657 5 2.8994 4 2.8994 4 2.792 5 2.9406 3 2.9992 3 2.7803 4 2.7441 6 2.743 6 2.7335 3 5 O 3.264 10 2.7129 3 2.7657 4 3.0493 6 2.792 4 2.792 4 2.7129 3 2.7657 4 2.8789 6 2.8706 3 2.8706 3 6 O 3.264 10 2.7271 3 3.0493 5 2.7271 3 2.7441 4 2.8789 5 2.8138 3 2.743 4 2.8138 3 2.743 4 2.7441 4 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 2 0 0 8.068 16.136 0.091 98.6 2 55.0 328.7 2 1 0 1 9.378 18.755 0.106 72.4 4 79.6 1009.9 3 2 1 0 10.056 20.113 0.113 62.68 4 61.9 528.0 4 0 1 1 10.373 20.746 0.117 58.78 4 38.6 192.7 5 1 1 1 11.142 22.285 0.125 50.66 8 49.2 539.3 6 2 0 1 11.729 23.457 0.132 45.52 4 81.3 662.6 7 0 2 0 11.993 23.986 0.135 43.44 2 201.2 1935.0 8 2 1 1 13.196 26.393 0.148 35.52 8 21.1 69.4 9 2 2 0 14.522 29.043 0.163 28.99 4 168.3 1807.6 10 3 0 1 14.88 29.76 0.167 27.52 4 356.1 7678.9 11 1 2 1 15.311 30.622 0.171 25.88 8 284.0 9190.8 12 3 1 1 16.082 32.164 0.18 23.28 8 86.2 761.5 13 4 0 0 16.301 32.603 0.182 22.61 2 173.2 746.5 14 2 2 1 16.899 33.798 0.189 20.91 8 71.5 471.2 15 0 0 2 17.104 34.209 0.191 20.37 2 333.5 2493.2 16 4 1 0 17.416 34.831 0.194 19.58 4 79.3 271.4 17 1 0 2 17.6 35.2 0.196 19.14 4 81.4 278.9 18 4 0 1 18.474 36.948 0.206 17.21 4 99.4 374.6 19 1 1 2 18.646 37.292 0.208 16.86 8 22.8 38.7 20 2 0 2 19.019 38.038 0.212 16.14 4 0.9 0.0 21 3 2 1 19.289 38.578 0.214 15.64 8 108.2 806.5 22 4 1 1 19.48 38.96 0.216 15.31 8 30.0 60.8 23 2 3 0 19.988 39.976 0.222 14.45 4 85.6 233.1 24 2 1 2 20.001 40.003 0.222 14.43 8 76.7 374.2 25 0 3 1 20.16 40.319 0.224 14.18 4 98.2 301.3 26 4 2 0 20.44 40.881 0.227 13.75 4 229.2 1589.7 27 1 3 1 20.592 41.184 0.228 13.53 8 33.4 66.6 28 0 2 2 21.107 42.214 0.234 12.8 4 87.6 216.2 29 3 0 2 21.204 42.408 0.235 12.67 4 127.6 453.8 30 1 2 2 21.524 43.047 0.238 12.25 8 64.1 221.5 31 2 3 1 21.846 43.692 0.242 11.85 8 26.5 36.7 32 3 1 2 22.106 44.211 0.244 11.54 8 75.4 288.7 33 4 2 1 22.267 44.535 0.246 11.35 8 49.3 121.3 34 5 0 1 22.36 44.721 0.247 11.24 4 124.7 384.8 35 2 2 2 22.736 45.473 0.251 10.83 8 173.1 1428.2 36 5 1 1 23.226 46.453 0.256 10.32 8 116.4 615.9 37 3 3 1 23.819 47.638 0.262 9.75 8 82.8 294.1 38 4 0 2 23.989 47.977 0.264 9.59 4 176.1 654.3 39 0 4 0 24.556 49.112 0.27 9.09 2 424.9 1807.2 40 3 2 2 24.653 49.307 0.271 9.01 8 33.6 44.7 41 4 3 0 24.8 49.599 0.272 8.89 4 114.9 258.2 42 4 1 2 24.811 49.621 0.272 8.88 8 90.6 321.3 43 6 0 0 24.9 49.8 0.273 8.81 2 192.7 360.2 44 5 2 1 25.689 51.377 0.281 8.21 8 31.0 34.6 45 6 1 0 25.7 51.4 0.281 8.2 4 134.1 324.6 46 1 3 2 25.738 51.475 0.282 8.17 8 37.8 51.3 47 2 4 0 26.017 52.034 0.285 7.97 4 54.8 52.8 48 4 3 1 26.39 52.78 0.289 7.72 8 31.8 34.3 49 6 0 1 26.486 52.972 0.289 7.65 4 91.0 139.4 50 1 4 1 26.512 53.024 0.29 7.64 8 61.2 125.9 51 1 0 3 26.533 53.066 0.29 7.62 4 6.2 0.6 52 2 3 2 26.804 53.608 0.293 7.45 8 90.0 265.9 53 0 1 3 26.952 53.903 0.294 7.36 4 82.5 110.1 54 4 2 2 27.167 54.333 0.296 7.22 8 267.3 2273.3 55 5 0 2 27.247 54.494 0.297 7.18 4 97.6 150.4 56 6 1 1 27.253 54.506 0.297 7.17 8 2.4 0.2 57 1 1 3 27.299 54.598 0.298 7.15 8 1.9 0.1 58 2 4 1 27.557 55.114 0.3 6.99 8 55.6 95.4 59 2 0 3 27.578 55.156 0.301 6.98 4 147.3 333.7 60 5 1 2 28.0 55.999 0.305 6.75 8 14.7 6.4 61 6 2 0 28.003 56.006 0.305 6.74 4 147.1 321.0 62 2 1 3 28.325 56.649 0.308 6.57 8 65.1 122.8 63 3 3 2 28.52 57.039 0.31 6.47 8 11.0 3.5 64 3 4 1 29.243 58.487 0.317 6.11 8 299.7 2418.4 65 3 0 3 29.263 58.526 0.317 6.1 4 236.4 751.0 66 5 3 1 29.46 58.919 0.319 6.01 8 128.6 437.9 67 6 2 1 29.473 58.945 0.319 6.01 8 24.1 15.4 68 1 2 3 29.517 59.033 0.32 5.99 8 188.4 935.8 69 3 1 3 29.983 59.966 0.324 5.78 8 53.2 72.0 70 4 4 0 30.099 60.197 0.326 5.73 4 172.6 375.8 71 5 2 2 30.184 60.367 0.326 5.7 8 171.6 738.6 72 2 2 3 30.494 60.988 0.329 5.57 8 223.3 1222.3 73 0 4 2 30.606 61.211 0.33 5.52 4 287.0 1001.4 74 4 3 2 30.816 61.632 0.333 5.44 8 54.0 69.8 75 7 0 1 30.847 61.694 0.333 5.43 4 290.5 1008.0 76 6 0 2 30.903 61.806 0.333 5.4 4 122.8 179.3 77 1 4 2 30.927 61.853 0.334 5.4 8 102.3 248.8 78 4 4 1 31.507 63.015 0.339 5.18 8 48.7 54.0 79 4 0 3 31.526 63.053 0.339 5.17 4 118.0 158.6 80 7 1 1 31.545 63.09 0.34 5.17 8 92.1 193.0 81 6 3 0 31.591 63.181 0.34 5.15 4 76.1 65.7 82 6 1 2 31.6 63.2 0.34 5.15 8 93.6 198.6 83 2 4 2 31.878 63.756 0.343 5.05 8 23.1 11.8 84 3 2 3 32.083 64.167 0.345 4.98 8 104.7 240.3 85 4 1 3 32.216 64.432 0.346 4.93 8 16.9 6.2 86 2 5 0 32.554 65.109 0.349 4.82 4 4.8 0.2 87 0 5 1 32.676 65.352 0.35 4.78 4 6.0 0.4 88 0 3 3 32.695 65.39 0.351 4.78 4 50.8 27.2 89 6 3 1 32.963 65.926 0.353 4.7 8 8.0 1.3 90 1 5 1 32.986 65.972 0.353 4.69 8 74.7 115.0 91 1 3 3 33.004 66.009 0.354 4.68 8 6.2 0.8 92 3 4 2 33.431 66.862 0.358 4.56 8 81.2 132.4 93 7 2 1 33.59 67.18 0.359 4.51 8 197.0 770.9 94 5 3 2 33.632 67.264 0.36 4.5 8 37.1 27.3 95 6 2 2 33.644 67.288 0.36 4.5 8 93.4 172.7 96 2 5 1 33.906 67.812 0.362 4.42 8 4.3 0.4 97 2 3 3 33.924 67.849 0.362 4.42 8 17.1 5.7 98 8 0 0 34.151 68.302 0.364 4.36 2 115.4 63.9 99 4 2 3 34.24 68.481 0.365 4.33 8 25.3 12.2 100 5 4 1 34.292 68.585 0.366 4.32 8 82.1 128.3 101 5 0 3 34.311 68.621 0.366 4.32 4 42.9 17.5 102 8 1 0 34.814 69.627 0.371 4.19 4 79.1 57.7 103 7 0 2 34.926 69.853 0.372 4.16 4 17.8 2.9 104 5 1 3 34.972 69.944 0.372 4.15 8 81.8 122.2 105 3 5 1 35.414 70.828 0.376 4.05 8 75.1 100.4 106 3 3 3 35.432 70.864 0.376 4.04 8 27.4 13.3 107 8 0 1 35.473 70.946 0.377 4.03 4 20.2 3.6 108 4 4 2 35.547 71.095 0.377 4.02 8 132.7 311.6 109 7 1 2 35.583 71.165 0.378 4.01 8 17.0 5.1 110 0 0 4 36.031 72.062 0.382 3.91 2 168.2 121.8 111 8 1 1 36.125 72.25 0.383 3.89 8 5.8 0.6 112 4 5 0 36.19 72.379 0.383 3.88 4 60.7 31.5 113 6 4 0 36.27 72.54 0.384 3.86 4 153.5 200.4 114 1 0 4 36.327 72.654 0.385 3.85 4 146.1 181.0 115 8 2 0 36.77 73.539 0.389 3.76 4 163.5 221.4 116 7 3 1 36.873 73.746 0.389 3.74 8 81.5 109.5 117 5 2 3 36.924 73.848 0.39 3.73 8 16.6 4.5 118 6 3 2 36.925 73.849 0.39 3.73 8 40.7 27.2 119 1 5 2 36.946 73.893 0.39 3.73 8 11.9 2.3 120 1 1 4 36.973 73.946 0.39 3.72 8 60.7 60.5 121 2 0 4 37.21 74.42 0.393 3.68 4 75.5 46.1 122 4 5 1 37.481 74.962 0.395 3.63 8 43.1 29.7 123 4 3 3 37.498 74.997 0.395 3.63 8 37.0 21.9 124 7 2 2 37.522 75.044 0.395 3.63 8 35.6 20.3 125 6 4 1 37.56 75.12 0.396 3.62 8 81.2 104.9 126 6 0 3 37.578 75.155 0.396 3.62 4 130.2 134.8 127 1 4 3 37.599 75.198 0.396 3.61 8 6.9 0.8 128 2 5 2 37.824 75.647 0.398 3.57 8 28.5 12.7 129 2 1 4 37.85 75.7 0.398 3.57 8 27.9 12.2 130 8 2 1 38.054 76.107 0.4 3.54 8 34.3 18.4 131 5 4 2 38.193 76.386 0.401 3.51 8 67.8 71.1 132 6 1 3 38.216 76.431 0.402 3.51 8 19.5 5.9 133 2 4 3 38.471 76.942 0.404 3.47 8 110.6 187.0 134 0 6 0 38.563 77.126 0.405 3.45 2 68.1 17.6 135 0 2 4 38.598 77.195 0.405 3.45 4 42.0 13.4 136 3 0 4 38.665 77.329 0.406 3.44 4 125.4 119.0 137 1 2 4 38.887 77.773 0.408 3.41 8 141.9 302.0 138 3 5 2 39.271 78.542 0.411 3.35 8 81.2 97.2 139 3 1 4 39.297 78.594 0.411 3.35 8 58.5 50.4 140 8 0 2 39.328 78.656 0.411 3.34 4 65.7 31.8 141 2 6 0 39.715 79.431 0.415 3.29 4 108.7 85.6 142 2 2 4 39.75 79.5 0.415 3.29 8 46.4 31.2 143 3 4 3 39.911 79.823 0.416 3.27 8 186.1 498.1 144 8 3 0 39.949 79.897 0.417 3.26 4 152.8 167.6 145 8 1 2 39.957 79.914 0.417 3.26 8 83.5 100.0 146 5 5 1 40.082 80.164 0.418 3.24 8 61.3 53.7 147 5 3 3 40.099 80.198 0.418 3.24 8 114.0 185.6 148 6 2 3 40.11 80.221 0.418 3.24 8 41.9 25.1 149 1 6 1 40.114 80.229 0.418 3.24 8 201.8 580.7 150 9 0 1 40.424 80.849 0.421 3.2 4 2.4 0.0 151 4 0 4 40.675 81.349 0.423 3.17 4 53.1 19.7 152 7 3 2 40.683 81.365 0.423 3.17 8 30.5 13.0 153 2 6 1 40.971 81.942 0.426 3.14 8 48.6 32.7 154 9 1 1 41.05 82.1 0.426 3.13 8 68.3 64.3 155 3 2 4 41.179 82.357 0.427 3.12 8 49.5 33.6 156 8 3 1 41.203 82.405 0.428 3.12 8 1.2 0.0 157 4 5 2 41.274 82.547 0.428 3.11 8 94.3 121.7 158 4 1 4 41.299 82.598 0.428 3.11 8 58.1 46.1 159 7 4 1 41.301 82.602 0.428 3.11 8 227.1 705.6 160 7 0 3 41.318 82.636 0.429 3.1 4 139.0 132.1 161 6 4 2 41.351 82.701 0.429 3.1 8 112.3 172.2 162 8 2 2 41.832 83.664 0.433 3.05 8 145.3 284.0 163 4 4 3 41.907 83.814 0.434 3.05 8 94.6 119.9 164 7 1 3 41.941 83.881 0.434 3.04 8 77.3 80.0 165 6 5 0 41.965 83.93 0.434 3.04 4 132.1 116.7 166 1 3 4 42.02 84.04 0.435 3.04 8 88.9 105.6 167 3 6 1 42.391 84.783 0.438 3.0 8 99.0 129.6 168 2 3 4 42.87 85.739 0.442 2.96 8 61.4 49.2 169 9 2 1 42.916 85.832 0.442 2.96 8 105.8 145.8 170 0 5 3 42.963 85.927 0.442 2.96 4 94.3 57.8 171 4 6 0 43.13 86.259 0.444 2.94 4 211.9 291.0 172 4 2 4 43.164 86.327 0.444 2.94 8 119.1 183.6 173 6 5 1 43.208 86.417 0.444 2.94 8 0.2 0.0 174 6 3 3 43.225 86.451 0.445 2.94 8 11.7 1.8 175 5 0 4 43.229 86.458 0.445 2.94 4 81.9 43.4 176 1 5 3 43.246 86.492 0.445 2.94 8 16.3 3.4 177 0 6 2 43.572 87.145 0.447 2.91 4 80.7 41.8 178 7 2 3 43.802 87.603 0.449 2.9 8 112.6 161.7 179 5 5 2 43.823 87.646 0.449 2.9 8 8.0 0.8 180 5 1 4 43.848 87.697 0.45 2.89 8 10.7 1.5 181 1 6 2 43.855 87.71 0.45 2.89 8 80.6 82.8 182 2 5 3 44.094 88.187 0.452 2.88 8 67.7 58.1 183 9 0 2 44.161 88.322 0.452 2.87 4 129.8 106.6 184 3 3 4 44.282 88.564 0.453 2.87 8 35.8 16.2 185 8 4 0 44.304 88.608 0.453 2.87 4 100.7 64.0 186 4 6 1 44.37 88.74 0.454 2.86 8 0.2 0.0 187 5 4 3 44.452 88.905 0.455 2.86 8 48.1 29.1 188 10 0 0 44.565 89.131 0.455 2.85 2 243.4 185.9 189 2 6 2 44.702 89.403 0.457 2.84 8 102.9 132.7 190 9 1 2 44.779 89.559 0.457 2.84 8 32.0 12.8 191 8 3 2 44.931 89.862 0.458 2.83 8 84.1 88.3 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 8.068 16.136 5.4885 328.7 3.6 3.6 5.6 2 1 0 1 9.378 18.755 4.72737 1009.9 11.0 11.1 5.6 3 2 1 0 10.056 20.113 4.41128 528.0 5.7 5.8 5.6 4 0 1 1 10.373 20.746 4.27803 192.7 2.1 2.1 5.6 5 1 1 1 11.142 22.285 3.98601 539.3 5.9 5.9 5.6 6 2 0 1 11.729 23.457 3.78929 662.6 7.2 7.2 5.6 7 0 2 0 11.993 23.986 3.707 1935.0 21.1 21.2 5.6 8 2 2 0 14.522 29.043 3.07195 1807.6 19.7 19.7 5.6 9 3 0 1 14.88 29.76 2.99961 7678.9 83.5 83.6 5.6 10 1 2 1 15.311 30.622 2.91709 9190.8 100.0 100.0 5.6 11 3 1 1 16.082 32.164 2.78065 761.5 8.3 8.3 5.6 12 4 0 0 16.301 32.603 2.74425 746.5 8.1 8.1 5.6 13 2 2 1 16.899 33.798 2.64986 471.2 5.1 5.1 5.7 14 0 0 2 17.104 34.209 2.619 2493.2 27.1 27.0 5.7 15 4 1 0 17.416 34.831 2.57361 271.4 3.0 2.9 5.7 16 1 0 2 17.6 35.2 2.5475 278.9 3.0 3.0 5.7 17 4 0 1 18.474 36.948 2.43084 374.6 4.1 4.1 5.7 18 3 2 1 19.289 38.578 2.33183 806.5 8.8 8.7 5.7 19 2 1 2 20.001 40.003 2.252 607.3 6.6 6.6 5.7 20 0 3 1 20.16 40.319 2.23506 301.3 3.3 3.2 5.7 21 4 2 0 20.44 40.881 2.20564 1589.7 17.3 17.1 5.7 22 0 2 2 21.107 42.214 2.13901 216.2 2.4 2.3 5.7 23 3 0 2 21.204 42.408 2.12967 453.8 4.9 4.9 5.7 24 1 2 2 21.524 43.047 2.09952 221.5 2.4 2.4 5.7 25 3 1 2 22.106 44.211 2.0469 288.7 3.1 3.1 5.7 26 4 2 1 22.267 44.535 2.03277 121.3 1.3 1.3 5.7 27 5 0 1 22.36 44.721 2.02475 384.8 4.2 4.1 5.7 28 2 2 2 22.736 45.473 1.99301 1428.2 15.5 15.3 5.7 29 5 1 1 23.226 46.453 1.95322 615.9 6.7 6.6 5.7 30 3 3 1 23.819 47.638 1.90736 294.1 3.2 3.1 5.7 31 4 0 2 23.989 47.977 1.89464 654.3 7.1 7.0 5.7 32 0 4 0 24.556 49.112 1.8535 1807.2 19.7 19.3 5.7 33 4 1 2 24.811 49.621 1.83565 579.5 6.3 6.2 5.7 34 6 0 0 24.9 49.8 1.8295 360.2 3.9 3.8 5.7 35 6 1 0 25.7 51.4 1.77622 359.2 3.9 3.8 5.8 36 6 0 1 26.486 52.972 1.72718 265.3 2.9 2.8 5.8 37 2 3 2 26.804 53.608 1.70817 265.9 2.9 2.8 5.8 38 0 1 3 26.952 53.903 1.69951 110.1 1.2 1.2 5.8 39 4 2 2 27.167 54.333 1.68707 2273.3 24.7 24.1 5.8 40 5 0 2 27.247 54.494 1.68247 150.6 1.6 1.6 5.8 41 2 0 3 27.578 55.156 1.66384 429.0 4.7 4.5 5.8 42 6 2 0 28.003 56.006 1.64058 327.4 3.6 3.5 5.8 43 2 1 3 28.325 56.649 1.62346 122.8 1.3 1.3 5.8 44 3 4 1 29.243 58.487 1.57677 3169.5 34.5 33.4 5.8 45 5 3 1 29.46 58.919 1.56621 453.3 4.9 4.8 5.8 46 1 2 3 29.517 59.033 1.56346 935.8 10.2 9.9 5.8 47 4 4 0 30.099 60.197 1.53598 375.8 4.1 4.0 5.8 48 5 2 2 30.184 60.367 1.53206 738.6 8.0 7.8 5.8 49 2 2 3 30.494 60.988 1.51795 1222.3 13.3 12.8 5.8 50 0 4 2 30.606 61.211 1.51294 1001.4 10.9 10.5 5.8 51 7 0 1 30.847 61.694 1.50227 1008.0 11.0 10.6 5.8 52 1 4 2 30.927 61.853 1.49878 428.1 4.7 4.5 5.8 53 4 0 3 31.526 63.053 1.47312 405.5 4.4 4.2 5.9 54 6 1 2 31.6 63.2 1.47003 264.3 2.9 2.8 5.9 55 3 2 3 32.083 64.167 1.4502 240.3 2.6 2.5 5.9 56 1 5 1 32.986 65.972 1.41483 116.4 1.3 1.2 5.9 57 3 4 2 33.431 66.862 1.39814 132.4 1.4 1.4 5.9 58 7 2 1 33.59 67.18 1.39228 770.9 8.4 8.0 5.9 59 6 2 2 33.644 67.288 1.39032 200.0 2.2 2.1 5.9 60 5 4 1 34.292 68.585 1.36716 145.8 1.6 1.5 5.9 61 5 1 3 34.972 69.944 1.34389 122.2 1.3 1.3 5.9 62 3 5 1 35.414 70.828 1.32926 113.7 1.2 1.2 5.9 63 4 4 2 35.547 71.095 1.32493 311.6 3.4 3.2 5.9 64 0 0 4 36.031 72.062 1.3095 121.8 1.3 1.3 5.9 65 6 4 0 36.27 72.54 1.30205 200.4 2.2 2.1 5.9 66 1 0 4 36.327 72.654 1.30028 181.0 2.0 1.9 6.0 67 8 2 0 36.77 73.539 1.2868 221.4 2.4 2.3 6.0 68 7 3 1 36.873 73.746 1.2837 109.5 1.2 1.1 6.0 69 6 0 3 37.578 75.155 1.2631 239.8 2.6 2.5 6.0 70 2 4 3 38.471 76.942 1.23815 187.0 2.0 1.9 6.0 71 3 0 4 38.665 77.329 1.23292 119.0 1.3 1.2 6.0 72 1 2 4 38.887 77.773 1.22699 302.0 3.3 3.1 6.0 73 3 5 2 39.271 78.542 1.21689 147.5 1.6 1.5 6.0 74 3 4 3 39.911 79.823 1.20056 498.1 5.4 5.1 6.0 75 8 3 0 39.949 79.897 1.19963 267.6 2.9 2.7 6.0 76 1 6 1 40.114 80.229 1.1955 845.1 9.2 8.6 6.0 77 7 4 1 41.301 82.602 1.16707 1005.5 10.9 10.1 6.1 78 6 4 2 41.351 82.701 1.16592 172.2 1.9 1.7 6.1 79 8 2 2 41.832 83.664 1.15493 284.0 3.1 2.9 6.1 80 4 4 3 41.907 83.814 1.15324 119.9 1.3 1.2 6.1 81 6 5 0 41.965 83.93 1.15195 196.8 2.1 2.0 6.1 82 1 3 4 42.02 84.04 1.15072 105.6 1.1 1.1 6.1 83 3 6 1 42.391 84.783 1.14252 129.6 1.4 1.3 6.1 84 9 2 1 42.916 85.832 1.13123 145.8 1.6 1.5 6.1 85 4 6 0 43.13 86.259 1.12672 291.0 3.2 2.9 6.1 86 4 2 4 43.164 86.327 1.126 183.6 2.0 1.8 6.1 87 7 2 3 43.802 87.603 1.11286 162.5 1.8 1.6 6.2 88 9 0 2 44.161 88.322 1.10565 106.6 1.2 1.1 6.2 89 10 0 0 44.565 89.131 1.0977 185.9 2.0 1.8 6.2 90 2 6 2 44.702 89.403 1.09506 132.7 1.4 1.3 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) |