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 *** *********************** SCHUILINGITE_ND 1 PbCuNd[CO(3)](3)(OH).1.5H(2)O Orthorhombic P 2(1)cn Z = 4 R =0.038 NR =1094 14 .11 .1901 Ref.Str.: M.Shindler, F.C. Hawthorne (1999) * Canad. Mineral., 37, 1463-1470 Reserv: In original - schuilingite[1]. There are U(iso) in the article. D.T.N. Initial data from BDM-file Lattice parameters (cub. angs.,degr.): a = 7.419 alpha = 90.0 b = 18.859 beta = 90.0 c = 6.395 gamma = 90.0 Unit cell volume (cub. angs.) = 894.76 Molar volume ( cub.cm/mol.) = 134.74 Co-ordinates, thermal parameters, occupation for atomic positions: NoP x/a y/b z/c B(j) atom / occupation 1 0.5 0.8602 0.382 0.0 Pb = 1.00 2 0.0011 0.6921 0.102 0.0 Nd = 1.00 3 0.2934 0.5587 0.3115 0.0 Cu = 1.00 4 0.159 0.84 0.108 0.0 C = 1.00 5 0.67 0.783 0.823 0.0 C = 1.00 6 0.933 0.542 0.012 0.0 C = 1.00 7 0.251 0.8955 0.082 0.0 O = 1.00 8 0.047 0.8172 0.974 0.0 O = 1.00 9 0.186 0.8038 0.276 0.0 O = 1.00 10 0.697 0.8401 0.72 0.0 O = 1.00 11 0.523 0.772 0.919 0.0 O = 1.00 12 0.796 0.7346 0.819 0.0 O = 1.00 13 0.008 0.5539 0.191 0.0 O = 1.00 14 0.905 0.5944 0.885 0.0 O = 1.00 15 0.902 0.477 0.949 0.0 O = 1.00 16 0.304 0.6517 0.166 0.0 O = 1.00 17 0.294 0.033 0.955 0.0 O = 1.00 Co-ordinates for all atomic positions : No NoP x/a y/b z/c 1 1 0.5 0.8602 0.382 2 2 0.0011 0.6921 0.102 3 3 0.2934 0.5587 0.3115 4 4 0.159 0.84 0.108 5 5 0.67 0.783 0.823 6 6 0.933 0.542 0.012 7 7 0.251 0.8955 0.082 8 8 0.047 0.8172 0.974 9 9 0.186 0.8038 0.276 10 10 0.697 0.8401 0.72 11 11 0.523 0.772 0.919 12 12 0.796 0.7346 0.819 13 13 0.008 0.5539 0.191 14 14 0.905 0.5944 0.885 15 15 0.902 0.477 0.949 16 16 0.304 0.6517 0.166 17 17 0.294 0.033 0.955 18 1 0.0 0.1398 0.618 19 2 0.5011 0.3079 0.898 20 3 0.7934 0.4413 0.6885 21 4 0.659 0.16 0.892 22 5 0.17 0.217 0.177 23 6 0.433 0.458 0.988 24 7 0.751 0.1045 0.918 25 8 0.547 0.1828 0.026 26 9 0.686 0.1962 0.724 27 10 0.197 0.1599 0.28 28 11 0.023 0.228 0.081 29 12 0.296 0.2654 0.181 30 13 0.508 0.4461 0.809 31 14 0.405 0.4056 0.115 32 15 0.402 0.523 0.051 33 16 0.804 0.3483 0.834 34 17 0.794 0.967 0.045 35 1 0.0 0.3602 0.118 36 2 0.5011 0.1921 0.398 37 3 0.7934 0.0587 0.1885 38 4 0.659 0.34 0.392 39 5 0.17 0.283 0.677 40 6 0.433 0.042 0.488 41 7 0.751 0.3955 0.418 42 8 0.547 0.3172 0.526 43 9 0.686 0.3038 0.224 44 10 0.197 0.3401 0.78 45 11 0.023 0.272 0.581 46 12 0.296 0.2346 0.681 47 13 0.508 0.0539 0.309 48 14 0.405 0.0944 0.615 49 15 0.402 0.977 0.551 50 16 0.804 0.1517 0.334 51 17 0.794 0.533 0.545 52 1 0.5 0.6398 0.882 53 2 0.0011 0.8079 0.602 54 3 0.2934 0.9413 0.8115 55 4 0.159 0.66 0.608 56 5 0.67 0.717 0.323 57 6 0.933 0.958 0.512 58 7 0.251 0.6045 0.582 59 8 0.047 0.6828 0.474 60 9 0.186 0.6962 0.776 61 10 0.697 0.6599 0.22 62 11 0.523 0.728 0.419 63 12 0.796 0.7654 0.319 64 13 0.008 0.9461 0.691 65 14 0.905 0.9056 0.385 66 15 0.902 0.023 0.449 67 16 0.304 0.8483 0.666 68 17 0.294 0.467 0.455 X-ray density (g/cm cub.) = 4.65 MU (1/cm) = 1146.324 Mass attenuation coefficient (cm**2/g) = 246.36 Selected interatomic distances (cation-anion,anion-anion): NoP Atom Rad.sph. C.N. Distance NoP N. (angs.) (angs.) 1 Pb 3.144 8 2.7453 7 2.6491 9 2.6367 10 2.559 15 2.5102 11 2.8603 12 3.1244 14 2.3374 16 2 Nd 2.82 10 2.5203 8 2.7491 9 2.4966 12 2.6682 13 2.4143 14 2.4079 16 2.4096 8 2.4968 9 2.4553 10 2.4803 12 3 Cu 2.808 5 2.2551 13 1.987 16 1.9692 15 1.9589 7 1.9578 17 4 C 1.872 3 1.2606 7 1.2687 8 1.2886 9 5 C 1.872 3 1.2781 10 1.2686 11 1.3068 12 6 C 1.872 3 1.2924 13 1.2959 14 1.3107 15 7 O 3.264 7 2.2244 8 2.1823 9 3.2532 11 2.736 17 3.2269 13 3.2218 14 2.8327 16 8 O 3.264 8 2.2244 7 2.2039 9 3.0931 10 2.6224 12 2.8061 9 3.0479 12 3.0444 13 2.8034 16 9 O 3.264 8 2.1823 7 2.2039 8 3.0805 16 2.8061 8 3.0217 11 2.9953 12 2.9185 14 2.7733 16 10 O 3.264 9 3.0931 8 2.2216 11 2.2133 12 3.2504 17 3.137 11 3.0167 12 3.0585 13 2.9149 14 2.9401 16 11 O 3.264 7 3.2532 7 2.2216 10 2.238 12 3.2066 16 3.0217 9 3.137 10 2.707 16 12 O 3.264 9 2.6224 8 2.2133 10 2.238 11 2.797 14 3.0479 8 2.9953 9 3.0167 10 3.2498 12 3.2498 12 13 O 3.264 9 2.2353 14 2.262 15 2.8723 16 3.1122 15 2.793 17 3.2269 7 3.0444 8 3.0585 10 3.1683 17 14 O 3.264 7 2.797 12 2.2353 13 2.2517 15 2.5974 17 3.2218 7 2.9185 9 2.9149 10 15 O 3.264 5 2.262 13 2.2517 14 3.1122 13 2.6383 16 2.9038 17 16 O 3.264 9 3.0805 9 3.2066 11 2.8723 13 2.6383 15 2.8327 7 2.8034 8 2.7733 9 2.9401 10 2.707 11 17 O 3.264 6 2.736 7 3.2504 10 2.793 13 2.5974 14 2.9038 15 3.1683 13 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 0 2 0 5.443 10.886 0.053 219.3 2 186.9 1914.6 2 1 1 0 7.444 14.888 0.072 116.2 4 44.1 112.7 3 0 1 1 8.493 16.986 0.083 88.75 4 190.5 1608.4 4 0 2 1 9.73 19.459 0.094 67.1 4 34.2 39.3 5 1 3 0 10.748 21.497 0.104 54.6 4 247.5 1671.3 6 0 4 0 10.936 21.872 0.106 52.67 2 224.3 661.7 7 1 1 1 10.991 21.982 0.107 52.12 8 163.9 1399.0 8 0 3 1 11.509 23.018 0.112 47.35 4 314.4 2338.8 9 1 2 1 11.982 23.963 0.116 43.53 8 113.0 555.8 10 1 3 1 13.481 26.961 0.13 33.96 8 270.5 2483.2 11 0 4 1 13.633 27.266 0.132 33.16 4 38.3 24.3 12 2 0 0 13.953 27.906 0.135 31.56 2 381.7 1149.0 13 2 2 0 15.018 30.035 0.145 26.98 4 275.5 1022.9 14 1 4 1 15.352 30.704 0.148 25.73 8 52.9 71.9 15 1 5 0 15.428 30.857 0.149 25.46 4 215.5 590.5 16 0 5 1 15.981 31.962 0.154 23.6 4 80.2 75.8 17 0 0 2 16.245 32.489 0.156 22.78 2 19.1 2.1 18 2 1 1 16.425 32.85 0.158 22.24 8 283.1 1781.4 19 0 1 2 16.483 32.966 0.159 22.07 4 84.3 78.3 20 0 6 0 16.533 33.067 0.159 21.93 2 232.1 295.0 21 2 2 1 17.125 34.25 0.165 20.31 8 157.3 502.5 22 0 2 2 17.18 34.361 0.165 20.17 4 33.7 11.5 23 1 5 1 17.491 34.982 0.168 19.4 8 62.2 75.1 24 1 0 2 17.735 35.47 0.17 18.82 4 499.8 2349.2 25 2 4 0 17.867 35.735 0.172 18.52 4 215.6 430.0 26 1 1 2 17.956 35.911 0.172 18.32 8 50.0 45.8 27 2 3 1 18.238 36.477 0.175 17.7 8 251.6 1119.4 28 0 3 2 18.291 36.582 0.175 17.59 4 205.2 369.9 29 0 6 1 18.487 36.974 0.177 17.18 4 350.3 1053.2 30 1 2 2 18.605 37.21 0.178 16.94 8 209.7 744.5 31 1 3 2 19.646 39.292 0.188 15.02 8 76.7 88.4 32 2 4 1 19.706 39.412 0.188 14.92 8 111.8 186.2 33 0 4 2 19.755 39.51 0.189 14.84 4 0.2 0.0 34 1 6 1 19.83 39.661 0.19 14.71 8 321.9 1523.2 35 1 7 0 20.684 41.368 0.197 13.39 4 232.0 360.0 36 1 4 2 21.03 42.06 0.201 12.91 8 208.2 558.9 37 0 7 1 21.116 42.233 0.201 12.79 4 163.6 171.0 38 3 1 0 21.394 42.789 0.204 12.42 4 29.3 5.3 39 2 5 1 21.468 42.936 0.205 12.32 8 42.8 22.5 40 0 5 2 21.514 43.028 0.205 12.26 4 106.6 69.6 41 2 0 2 21.674 43.347 0.206 12.06 4 196.4 232.5 42 2 1 2 21.861 43.721 0.208 11.83 8 52.3 32.3 43 2 6 0 21.9 43.801 0.209 11.78 4 287.4 486.4 44 0 8 0 22.298 44.597 0.212 11.31 2 109.4 33.8 45 1 7 1 22.327 44.655 0.212 11.28 8 153.2 264.5 46 2 2 2 22.415 44.829 0.213 11.18 8 73.2 59.8 47 1 5 2 22.708 45.416 0.216 10.86 8 80.3 70.0 48 3 3 0 22.872 45.744 0.217 10.68 4 148.8 118.2 49 3 1 1 22.997 45.994 0.218 10.55 8 282.4 841.0 50 2 3 2 23.315 46.629 0.221 10.23 8 190.5 370.9 51 2 6 1 23.475 46.951 0.223 10.07 8 241.2 585.4 52 0 6 2 23.518 47.037 0.223 10.03 4 88.4 39.2 53 3 2 1 23.53 47.06 0.223 10.02 8 93.6 87.6 54 0 8 1 23.853 47.706 0.226 9.71 4 68.3 22.6 55 3 3 1 24.398 48.796 0.231 9.23 8 279.3 719.4 56 2 4 2 24.532 49.063 0.232 9.11 8 17.0 2.6 57 1 6 2 24.636 49.273 0.233 9.03 8 220.0 436.4 58 1 8 1 24.96 49.919 0.236 8.76 8 221.7 430.6 59 0 1 3 24.978 49.957 0.236 8.75 4 83.4 30.4 60 0 2 3 25.48 50.96 0.24 8.36 4 159.5 106.2 61 3 4 1 25.576 51.152 0.241 8.29 8 86.4 61.8 62 3 5 0 25.626 51.253 0.242 8.25 4 247.1 251.8 63 2 7 1 25.69 51.381 0.242 8.21 8 91.7 68.9 64 0 7 2 25.731 51.461 0.243 8.18 4 207.1 175.2 65 2 5 2 26.034 52.067 0.245 7.96 8 299.7 714.5 66 1 1 3 26.05 52.1 0.245 7.95 8 174.4 241.5 67 0 3 3 26.3 52.6 0.248 7.78 4 282.8 310.7 68 1 9 0 26.331 52.662 0.248 7.76 4 482.1 901.0 69 1 2 3 26.537 53.073 0.25 7.62 8 91.8 64.2 70 0 9 1 26.692 53.384 0.251 7.52 4 9.6 0.3 71 2 8 0 26.716 53.432 0.251 7.51 4 64.9 15.8 72 1 7 2 26.78 53.561 0.252 7.46 8 97.3 70.7 73 3 5 1 27.036 54.073 0.254 7.3 8 66.7 32.5 74 3 0 2 27.209 54.419 0.256 7.2 4 427.1 656.2 75 1 3 3 27.334 54.669 0.257 7.12 8 347.2 858.2 76 3 1 2 27.368 54.735 0.257 7.1 8 14.9 1.6 77 0 4 3 27.419 54.839 0.257 7.07 4 173.6 106.5 78 1 9 1 27.716 55.432 0.26 6.9 8 83.8 48.4 79 2 6 2 27.79 55.581 0.261 6.86 8 51.6 18.2 80 3 2 2 27.838 55.677 0.261 6.83 8 230.6 363.2 81 2 8 1 28.088 56.175 0.263 6.7 8 190.3 242.4 82 0 8 2 28.125 56.251 0.264 6.68 4 46.4 7.2 83 0 10 0 28.313 56.626 0.265 6.58 2 155.1 39.5 84 1 4 3 28.426 56.852 0.266 6.52 8 111.0 80.3 85 3 3 2 28.612 57.223 0.268 6.42 8 110.4 78.2 86 3 6 1 28.751 57.502 0.269 6.35 8 268.5 457.7 87 0 5 3 28.815 57.63 0.269 6.32 4 40.4 5.1 88 4 0 0 28.833 57.665 0.27 6.31 2 522.6 430.7 89 2 1 3 29.096 58.192 0.272 6.18 8 185.1 211.8 90 1 8 2 29.116 58.232 0.272 6.17 8 91.5 51.7 91 3 7 0 29.404 58.808 0.274 6.04 4 252.8 192.9 92 4 2 0 29.439 58.878 0.275 6.02 4 166.0 82.9 93 2 2 3 29.549 59.097 0.276 5.97 8 41.5 10.3 94 0 10 1 29.636 59.271 0.276 5.93 4 200.9 119.6 95 3 4 2 29.672 59.345 0.277 5.92 8 214.4 271.9 96 2 7 2 29.776 59.552 0.278 5.87 8 213.0 266.3 97 1 5 3 29.791 59.581 0.278 5.86 8 109.5 70.3 98 4 1 1 30.289 60.578 0.282 5.65 8 137.5 106.7 99 2 3 3 30.294 60.588 0.282 5.65 8 154.9 135.5 100 0 6 3 30.464 60.929 0.283 5.58 4 322.3 289.5 101 1 10 1 30.595 61.19 0.285 5.53 8 169.8 159.2 102 2 9 1 30.652 61.303 0.285 5.5 8 62.6 21.6 103 0 9 2 30.687 61.375 0.285 5.49 4 356.6 348.8 104 3 7 1 30.697 61.394 0.285 5.49 8 68.0 25.3 105 4 2 1 30.731 61.462 0.286 5.47 8 88.3 42.6 106 3 5 2 31.003 62.006 0.288 5.37 8 55.4 16.5 107 4 4 0 31.213 62.427 0.29 5.29 4 206.1 112.2 108 2 4 3 31.32 62.639 0.291 5.25 8 65.4 22.5 109 1 6 3 31.409 62.817 0.291 5.21 8 237.5 294.0 110 4 3 1 31.46 62.919 0.292 5.2 8 297.7 460.1 111 1 9 2 31.628 63.256 0.293 5.14 8 84.8 36.9 112 2 8 2 31.971 63.942 0.296 5.02 8 96.6 46.8 113 2 10 0 32.145 64.29 0.297 4.96 4 57.0 8.0 114 0 7 3 32.348 64.697 0.299 4.89 4 180.6 79.7 115 1 11 0 32.376 64.751 0.299 4.88 4 188.6 86.8 116 4 4 1 32.464 64.928 0.3 4.85 8 65.4 20.7 117 3 6 2 32.586 65.172 0.301 4.81 8 234.7 265.0 118 2 5 3 32.611 65.222 0.301 4.81 8 22.4 2.4 119 0 11 1 32.693 65.386 0.302 4.78 4 61.8 9.1 120 3 8 1 32.857 65.714 0.303 4.73 8 124.4 73.1 121 1 7 3 33.263 66.526 0.307 4.61 8 110.9 56.6 122 2 10 1 33.377 66.753 0.308 4.57 8 93.4 39.8 123 0 10 2 33.411 66.822 0.308 4.56 4 100.1 22.9 124 1 11 1 33.603 67.206 0.309 4.51 8 103.9 48.7 125 4 5 1 33.732 67.464 0.31 4.47 8 78.3 27.4 126 3 1 3 33.78 67.56 0.311 4.46 8 162.5 117.6 127 4 0 2 33.884 67.768 0.312 4.43 4 46.1 4.7 128 0 0 4 34.019 68.039 0.313 4.39 2 369.5 149.9 129 3 9 0 34.021 68.041 0.313 4.39 4 418.7 384.9 130 4 1 2 34.023 68.046 0.313 4.39 8 50.8 11.3 131 4 6 0 34.053 68.105 0.313 4.38 4 187.2 76.8 132 2 6 3 34.154 68.308 0.314 4.36 8 316.6 436.5 133 0 1 4 34.158 68.317 0.314 4.36 4 85.5 15.9 134 3 2 3 34.197 68.394 0.314 4.35 8 133.5 77.4 135 1 10 2 34.311 68.622 0.315 4.32 8 110.0 52.2 136 2 9 2 34.364 68.728 0.316 4.3 8 411.0 726.4 137 3 7 2 34.407 68.814 0.316 4.29 8 62.3 16.6 138 4 2 2 34.439 68.878 0.316 4.28 8 108.5 50.4 139 0 8 3 34.452 68.904 0.316 4.28 4 187.5 75.2 140 0 2 4 34.573 69.146 0.317 4.25 4 155.6 51.4 141 0 12 0 34.691 69.381 0.318 4.22 2 189.5 37.9 142 3 3 3 34.887 69.774 0.32 4.17 8 293.4 358.8 143 1 0 4 34.912 69.824 0.32 4.17 4 130.7 35.6 144 1 1 4 35.049 70.098 0.321 4.13 8 67.2 18.6 145 4 3 2 35.127 70.253 0.322 4.11 8 173.5 123.8 146 3 9 1 35.219 70.439 0.322 4.09 8 122.5 61.4 147 4 6 1 35.251 70.502 0.323 4.09 8 259.9 275.8 148 0 3 4 35.26 70.52 0.323 4.08 4 14.3 0.4 149 1 8 3 35.34 70.679 0.323 4.07 8 122.9 61.3 150 1 2 4 35.459 70.919 0.324 4.04 8 145.3 85.2 151 3 4 3 35.843 71.685 0.327 3.95 8 82.8 27.1 152 0 12 1 35.879 71.759 0.328 3.95 4 108.3 23.1 153 2 7 3 35.936 71.873 0.328 3.93 8 44.3 7.7 154 4 4 2 36.08 72.159 0.329 3.9 8 24.3 2.3 155 1 3 4 36.139 72.277 0.33 3.89 8 159.1 98.3 156 0 4 4 36.211 72.423 0.33 3.88 4 227.9 100.6 157 2 11 1 36.265 72.53 0.331 3.86 8 92.4 33.0 158 0 11 2 36.298 72.595 0.331 3.86 4 193.8 72.4 159 3 8 2 36.454 72.907 0.332 3.83 8 90.6 31.4 160 1 12 1 36.752 73.504 0.334 3.77 8 237.0 211.5 161 0 9 3 36.767 73.534 0.335 3.76 4 40.6 3.1 162 2 10 2 36.95 73.9 0.336 3.73 8 37.9 5.4 163 4 7 1 37.01 74.021 0.336 3.72 8 126.1 59.0 164 3 5 3 37.056 74.113 0.337 3.71 8 84.2 26.3 165 1 4 4 37.081 74.162 0.337 3.7 8 36.4 4.9 166 1 11 2 37.167 74.333 0.338 3.69 8 34.5 4.4 167 5 1 0 37.206 74.412 0.338 3.68 4 74.0 10.1 168 4 5 2 37.29 74.581 0.339 3.67 8 168.9 104.5 169 0 5 4 37.42 74.841 0.34 3.64 4 137.0 34.2 170 2 0 4 37.533 75.067 0.341 3.62 4 363.2 238.8 171 1 9 3 37.632 75.264 0.341 3.61 8 58.0 12.1 172 2 1 4 37.667 75.333 0.342 3.6 8 25.4 2.3 173 3 10 1 37.781 75.562 0.342 3.58 8 132.7 63.0 174 4 8 0 37.852 75.704 0.343 3.57 4 67.7 8.2 175 2 8 3 37.949 75.898 0.344 3.55 8 148.4 78.2 176 2 2 4 38.066 76.131 0.345 3.53 8 146.4 75.7 177 2 12 0 38.179 76.358 0.346 3.51 4 147.8 38.4 178 5 3 0 38.271 76.542 0.346 3.5 4 267.0 124.7 179 1 5 4 38.28 76.56 0.346 3.5 8 178.1 110.9 180 5 1 1 38.363 76.727 0.347 3.49 8 62.9 13.8 181 3 6 3 38.52 77.041 0.348 3.46 8 117.2 47.5 182 3 9 2 38.721 77.441 0.35 3.43 8 85.9 25.3 183 2 3 4 38.728 77.455 0.35 3.43 8 127.0 55.3 184 4 6 2 38.751 77.503 0.35 3.43 8 75.2 19.3 185 5 2 1 38.76 77.52 0.35 3.42 8 81.9 22.9 186 0 6 4 38.88 77.76 0.351 3.41 4 160.5 43.9 187 1 13 0 38.921 77.842 0.351 3.4 4 254.1 109.7 188 4 8 1 39.003 78.006 0.352 3.39 8 110.7 41.5 189 0 13 1 39.216 78.431 0.353 3.36 4 47.8 3.8 190 0 10 3 39.291 78.582 0.354 3.35 4 139.6 32.6 191 2 12 1 39.327 78.654 0.354 3.34 8 301.0 302.8 192 0 12 2 39.359 78.718 0.355 3.34 4 19.1 0.6 193 3 11 0 39.407 78.815 0.355 3.33 4 93.3 14.5 194 5 3 1 39.418 78.837 0.355 3.33 8 204.7 139.5 195 2 4 4 39.649 79.298 0.357 3.3 8 189.7 118.7 196 1 6 4 39.729 79.459 0.357 3.29 8 90.5 26.9 197 2 11 2 39.733 79.465 0.357 3.29 8 118.8 46.4 198 4 1 3 39.867 79.734 0.358 3.27 8 105.5 36.4 199 1 13 1 40.063 80.126 0.36 3.25 8 56.4 10.3 200 1 10 3 40.138 80.277 0.36 3.24 8 124.7 50.3 201 2 9 3 40.189 80.377 0.361 3.23 8 102.2 33.7 202 1 12 2 40.206 80.412 0.361 3.23 8 177.7 101.9 203 3 7 3 40.229 80.458 0.361 3.23 8 146.4 69.1 204 4 2 3 40.259 80.519 0.361 3.22 8 99.3 31.8 205 5 4 1 40.335 80.67 0.362 3.21 8 42.3 5.7 206 5 5 0 40.375 80.75 0.362 3.21 4 149.5 35.8 207 4 7 2 40.457 80.915 0.363 3.2 8 130.3 54.3 208 3 11 1 40.546 81.092 0.363 3.19 8 144.4 66.5 209 0 7 4 40.584 81.169 0.364 3.18 4 112.7 20.2 210 2 5 4 40.825 81.65 0.365 3.16 8 120.2 45.6 211 4 3 3 40.911 81.823 0.366 3.15 8 186.0 108.8 212 3 10 2 41.209 82.417 0.368 3.12 8 41.9 5.5 213 4 9 1 41.227 82.454 0.368 3.11 8 49.5 7.6 214 1 7 4 41.425 82.851 0.37 3.09 8 116.0 41.6 215 5 5 1 41.507 83.014 0.37 3.09 8 28.4 2.5 216 0 14 0 41.606 83.212 0.371 3.08 2 163.3 20.5 217 5 0 2 41.649 83.297 0.371 3.07 4 449.4 309.9 218 3 0 4 41.775 83.55 0.372 3.06 4 149.9 34.4 219 5 1 2 41.778 83.557 0.372 3.06 8 41.2 5.2 220 4 4 3 41.821 83.642 0.373 3.05 8 129.3 51.0 221 3 1 4 41.905 83.809 0.373 3.05 8 66.9 13.6 222 0 11 3 42.03 84.06 0.374 3.04 4 43.9 2.9 223 5 2 2 42.167 84.334 0.375 3.02 8 78.1 18.4 224 3 8 3 42.18 84.359 0.375 3.02 8 82.3 20.4 225 2 6 4 42.253 84.507 0.376 3.02 8 185.1 103.2 226 3 2 4 42.293 84.587 0.376 3.01 8 47.1 6.7 227 4 8 2 42.406 84.812 0.377 3.0 8 24.2 1.8 228 0 8 4 42.532 85.064 0.378 2.99 4 73.9 8.2 229 4 10 0 42.563 85.126 0.378 2.99 4 129.5 25.0 230 2 13 1 42.583 85.166 0.378 2.99 8 84.8 21.4 231 0 13 2 42.615 85.229 0.378 2.98 4 270.2 108.9 232 2 10 3 42.657 85.315 0.379 2.98 8 171.4 87.5 233 2 12 2 42.724 85.448 0.379 2.98 8 25.1 1.9 234 0 14 1 42.732 85.465 0.379 2.98 4 108.5 17.5 235 5 3 2 42.814 85.628 0.38 2.97 8 41.9 5.2 236 1 11 3 42.866 85.732 0.38 2.96 8 60.5 10.9 237 5 6 1 42.932 85.863 0.381 2.96 8 281.8 234.8 238 3 3 4 42.94 85.88 0.381 2.96 8 169.7 85.2 239 4 5 3 42.986 85.972 0.381 2.96 8 60.2 10.7 240 1 8 4 43.367 86.734 0.384 2.93 8 84.7 21.0 241 1 13 2 43.45 86.899 0.384 2.92 8 76.4 17.1 242 5 7 0 43.487 86.975 0.385 2.92 4 143.5 30.0 243 3 12 1 43.527 87.055 0.385 2.92 8 265.4 205.3 244 1 14 1 43.567 87.134 0.385 2.91 8 79.9 18.6 245 4 10 1 43.686 87.373 0.386 2.9 8 177.4 91.4 246 5 4 2 43.718 87.436 0.386 2.9 8 171.5 85.3 247 3 4 4 43.844 87.687 0.387 2.89 8 27.1 2.1 248 3 11 2 43.926 87.852 0.388 2.89 8 89.8 23.3 249 2 7 4 43.933 87.866 0.388 2.89 8 57.5 9.5 250 3 9 3 44.375 88.751 0.391 2.86 8 14.9 0.6 251 4 6 3 44.405 88.81 0.391 2.86 8 255.1 186.0 252 0 1 5 44.503 89.006 0.392 2.85 4 215.1 66.0 253 4 9 2 44.601 89.201 0.393 2.85 8 374.7 399.6 254 5 7 1 44.609 89.218 0.393 2.85 8 154.9 68.3 255 0 9 4 44.726 89.452 0.393 2.84 4 121.9 21.1 256 5 5 2 44.878 89.757 0.394 2.83 8 51.1 7.4 257 0 2 5 44.89 89.78 0.395 2.83 4 88.1 11.0 258 2 14 0 44.945 89.89 0.395 2.83 4 126.6 22.7 259 0 12 3 45.0 90.0 0.395 2.83 4 316.4 141.5 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 0 2 0 5.443 10.886 9.4295 1914.6 77.1 77.9 5.6 2 1 1 0 7.444 14.888 6.90399 112.7 4.5 4.6 5.6 3 0 1 1 8.493 16.986 6.05628 1608.4 64.8 65.2 5.6 4 0 2 1 9.73 19.459 5.29264 39.3 1.6 1.6 5.6 5 1 3 0 10.748 21.497 4.79612 1671.3 67.3 67.6 5.6 6 0 4 0 10.936 21.872 4.71475 661.7 26.6 26.7 5.6 7 1 1 1 10.991 21.982 4.69158 1399.0 56.3 56.5 5.6 8 0 3 1 11.509 23.018 4.48303 2338.8 94.2 94.5 5.6 9 1 2 1 11.982 23.963 4.30863 555.8 22.4 22.4 5.6 10 1 3 1 13.481 26.961 3.83693 2483.2 100.0 100.0 5.6 11 2 0 0 13.953 27.906 3.7095 1149.0 46.3 46.2 5.6 12 2 2 0 15.018 30.035 3.45199 1022.9 41.2 41.1 5.6 13 1 4 1 15.352 30.704 3.37855 71.9 2.9 2.9 5.6 14 1 5 0 15.428 30.857 3.36223 590.5 23.8 23.7 5.6 15 0 5 1 15.981 31.962 3.24881 75.8 3.1 3.0 5.6 16 2 1 1 16.425 32.85 3.16329 1781.4 71.7 71.4 5.6 17 0 1 2 16.483 32.966 3.15251 78.3 3.2 3.1 5.6 18 0 6 0 16.533 33.067 3.14317 295.0 11.9 11.8 5.6 19 2 2 1 17.125 34.25 3.03769 502.5 20.2 20.1 5.7 20 1 5 1 17.491 34.982 2.97598 75.1 3.0 3.0 5.7 21 1 0 2 17.735 35.47 2.93639 2349.2 94.6 93.9 5.7 22 2 4 0 17.867 35.735 2.91533 430.0 17.3 17.2 5.7 23 1 1 2 17.956 35.911 2.90143 45.8 1.8 1.8 5.7 24 2 3 1 18.238 36.477 2.85796 1119.4 45.1 44.7 5.7 25 0 3 2 18.291 36.582 2.85001 369.9 14.9 14.8 5.7 26 0 6 1 18.487 36.974 2.82085 1053.2 42.4 42.1 5.7 27 1 2 2 18.605 37.21 2.8036 744.5 30.0 29.7 5.7 28 1 3 2 19.646 39.292 2.66046 88.4 3.6 3.5 5.7 29 2 4 1 19.706 39.412 2.65269 186.2 7.5 7.4 5.7 30 1 6 1 19.83 39.661 2.6367 1523.2 61.3 60.7 5.7 31 1 7 0 20.684 41.368 2.53234 360.0 14.5 14.3 5.7 32 1 4 2 21.03 42.06 2.49251 558.9 22.5 22.2 5.7 33 0 7 1 21.116 42.233 2.48281 171.0 6.9 6.8 5.7 34 0 5 2 21.514 43.028 2.43902 69.6 2.8 2.8 5.7 35 2 0 2 21.674 43.347 2.42193 232.5 9.4 9.2 5.7 36 2 1 2 21.861 43.721 2.4022 32.3 1.3 1.3 5.7 37 2 6 0 21.9 43.801 2.39806 486.4 19.6 19.3 5.7 38 0 8 0 22.298 44.597 2.35737 33.8 1.4 1.3 5.7 39 1 7 1 22.327 44.655 2.35446 264.5 10.7 10.5 5.7 40 2 2 2 22.415 44.829 2.34579 59.8 2.4 2.4 5.7 41 1 5 2 22.708 45.416 2.31702 70.0 2.8 2.8 5.7 42 3 3 0 22.872 45.744 2.30133 118.2 4.8 4.7 5.7 43 3 1 1 22.997 45.994 2.28948 841.0 33.9 33.3 5.7 44 2 3 2 23.315 46.629 2.26 370.9 14.9 14.7 5.7 45 2 6 1 23.475 46.951 2.24538 585.4 23.6 23.1 5.7 46 3 2 1 23.53 47.06 2.24049 126.8 5.1 5.0 5.7 47 3 3 1 24.398 48.796 2.16539 719.4 29.0 28.4 5.7 48 1 6 2 24.636 49.273 2.14572 436.4 17.6 17.2 5.7 49 1 8 1 24.96 49.919 2.11968 460.9 18.6 18.1 5.7 50 0 2 3 25.48 50.96 2.0792 106.2 4.3 4.2 5.8 51 3 4 1 25.576 51.152 2.07189 61.8 2.5 2.4 5.8 52 3 5 0 25.626 51.253 2.06811 251.8 10.1 9.9 5.8 53 2 7 1 25.69 51.381 2.0633 68.9 2.8 2.7 5.8 54 0 7 2 25.731 51.461 2.0603 175.2 7.1 6.9 5.8 55 2 5 2 26.034 52.067 2.03796 956.0 38.5 37.5 5.8 56 0 3 3 26.3 52.6 2.01876 310.7 12.5 12.2 5.8 57 1 9 0 26.331 52.662 2.01655 901.0 36.3 35.4 5.8 58 1 2 3 26.537 53.073 2.00206 64.2 2.6 2.5 5.8 59 1 7 2 26.78 53.561 1.98517 70.7 2.8 2.8 5.8 60 3 5 1 27.036 54.073 1.96777 32.5 1.3 1.3 5.8 61 3 0 2 27.209 54.419 1.9562 656.2 26.4 25.7 5.8 62 1 3 3 27.334 54.669 1.94793 858.2 34.6 33.6 5.8 63 0 4 3 27.419 54.839 1.94236 106.5 4.3 4.2 5.8 64 1 9 1 27.716 55.432 1.9232 48.4 1.9 1.9 5.8 65 3 2 2 27.838 55.677 1.91541 363.2 14.6 14.2 5.8 66 2 8 1 28.088 56.175 1.89979 242.4 9.8 9.5 5.8 67 0 10 0 28.313 56.626 1.8859 39.5 1.6 1.5 5.8 68 1 4 3 28.426 56.852 1.87903 80.3 3.2 3.1 5.8 69 3 3 2 28.612 57.223 1.86785 78.2 3.1 3.0 5.8 70 3 6 1 28.751 57.502 1.85957 457.7 18.4 17.8 5.8 71 4 0 0 28.833 57.665 1.85475 435.8 17.6 17.0 5.8 72 2 1 3 29.096 58.192 1.83942 263.5 10.6 10.3 5.8 73 3 7 0 29.404 58.808 1.82185 192.9 7.8 7.5 5.8 74 4 2 0 29.439 58.878 1.81988 82.9 3.3 3.2 5.8 75 0 10 1 29.636 59.271 1.80888 119.6 4.8 4.7 5.8 76 3 4 2 29.672 59.345 1.80684 271.9 11.0 10.6 5.8 77 2 7 2 29.776 59.552 1.80114 336.6 13.6 13.1 5.8 78 2 3 3 30.294 60.588 1.77318 242.2 9.8 9.4 5.8 79 0 6 3 30.464 60.929 1.76421 289.5 11.7 11.2 5.8 80 1 10 1 30.595 61.19 1.7574 159.2 6.4 6.2 5.8 81 0 9 2 30.687 61.375 1.75262 374.1 15.1 14.5 5.8 82 4 2 1 30.731 61.462 1.75038 42.6 1.7 1.7 5.8 83 4 4 0 31.213 62.427 1.726 112.2 4.5 4.3 5.8 84 1 6 3 31.409 62.817 1.71635 294.0 11.8 11.4 5.9 85 4 3 1 31.46 62.919 1.71386 460.1 18.5 17.8 5.9 86 1 9 2 31.628 63.256 1.70568 36.9 1.5 1.4 5.9 87 2 8 2 31.971 63.942 1.68928 46.8 1.9 1.8 5.9 88 1 11 0 32.376 64.751 1.67043 166.5 6.7 6.4 5.9 89 3 6 2 32.586 65.172 1.66081 267.4 10.8 10.3 5.9 90 3 8 1 32.857 65.714 1.64865 73.1 2.9 2.8 5.9 91 1 7 3 33.263 66.526 1.6308 56.6 2.3 2.2 5.9 92 2 10 1 33.377 66.753 1.62588 39.8 1.6 1.5 5.9 93 1 11 1 33.603 67.206 1.6162 48.7 2.0 1.9 5.9 94 4 5 1 33.732 67.464 1.61074 27.4 1.1 1.1 5.9 95 3 1 3 33.78 67.56 1.60873 117.6 4.7 4.5 5.9 96 3 9 0 34.021 68.041 1.59871 546.1 22.0 20.9 5.9 97 4 6 0 34.053 68.105 1.59738 76.8 3.1 2.9 5.9 98 2 6 3 34.154 68.308 1.59321 452.4 18.2 17.3 5.9 99 3 2 3 34.197 68.394 1.59146 77.4 3.1 3.0 5.9 100 1 10 2 34.311 68.622 1.58682 52.2 2.1 2.0 5.9 101 2 9 2 34.364 68.728 1.58466 726.4 29.3 27.8 5.9 102 0 8 3 34.452 68.904 1.58111 125.6 5.1 4.8 5.9 103 0 2 4 34.573 69.146 1.57625 51.4 2.1 2.0 5.9 104 0 12 0 34.691 69.381 1.57158 37.9 1.5 1.4 5.9 105 3 3 3 34.887 69.774 1.56386 394.4 15.9 15.1 5.9 106 4 3 2 35.127 70.253 1.55454 123.8 5.0 4.7 5.9 107 3 9 1 35.219 70.439 1.55098 61.4 2.5 2.3 5.9 108 4 6 1 35.251 70.502 1.54976 276.3 11.1 10.5 5.9 109 1 8 3 35.34 70.679 1.54638 61.3 2.5 2.3 5.9 110 1 2 4 35.459 70.919 1.54184 85.2 3.4 3.3 5.9 111 3 4 3 35.843 71.685 1.52753 27.1 1.1 1.0 5.9 112 1 3 4 36.139 72.277 1.5167 98.3 4.0 3.7 5.9 113 0 4 4 36.211 72.423 1.51407 100.6 4.1 3.8 5.9 114 2 11 1 36.265 72.53 1.51214 33.0 1.3 1.3 5.9 115 0 11 2 36.298 72.595 1.51096 72.4 2.9 2.8 6.0 116 3 8 2 36.454 72.907 1.50539 31.4 1.3 1.2 6.0 117 1 12 1 36.752 73.504 1.49487 214.6 8.6 8.1 6.0 118 4 7 1 37.01 74.021 1.48591 59.0 2.4 2.2 6.0 119 3 5 3 37.056 74.113 1.48434 31.2 1.3 1.2 6.0 120 4 5 2 37.29 74.581 1.47636 104.5 4.2 4.0 6.0 121 0 5 4 37.42 74.841 1.47198 34.2 1.4 1.3 6.0 122 2 0 4 37.533 75.067 1.4682 238.8 9.6 9.0 6.0 123 3 10 1 37.781 75.562 1.46 63.0 2.5 2.4 6.0 124 2 8 3 37.949 75.898 1.4545 78.2 3.1 3.0 6.0 125 2 2 4 38.066 76.131 1.45072 75.7 3.0 2.9 6.0 126 2 12 0 38.179 76.358 1.44707 38.4 1.5 1.4 6.0 127 5 3 0 38.271 76.542 1.44412 235.6 9.5 8.9 6.0 128 3 6 3 38.52 77.041 1.43621 47.5 1.9 1.8 6.0 129 2 3 4 38.728 77.455 1.42972 80.6 3.2 3.0 6.0 130 5 2 1 38.76 77.52 1.42872 42.3 1.7 1.6 6.0 131 0 6 4 38.88 77.76 1.425 43.9 1.8 1.7 6.0 132 1 13 0 38.921 77.842 1.42373 109.7 4.4 4.1 6.0 133 4 8 1 39.003 78.006 1.42121 41.5 1.7 1.6 6.0 134 0 10 3 39.291 78.582 1.41247 32.6 1.3 1.2 6.0 135 2 12 1 39.327 78.654 1.41139 302.8 12.2 11.4 6.0 136 5 3 1 39.418 78.837 1.40865 154.0 6.2 5.8 6.0 137 2 4 4 39.649 79.298 1.4018 118.7 4.8 4.5 6.0 138 2 11 2 39.733 79.465 1.39933 73.3 3.0 2.7 6.0 139 4 1 3 39.867 79.734 1.3954 36.4 1.5 1.4 6.0 140 1 10 3 40.138 80.277 1.38755 50.3 2.0 1.9 6.0 141 1 12 2 40.206 80.412 1.38561 204.7 8.2 7.7 6.0 142 4 2 3 40.259 80.519 1.38408 31.8 1.3 1.2 6.1 143 5 5 0 40.375 80.75 1.3808 35.8 1.4 1.3 6.1 144 4 7 2 40.457 80.915 1.37847 54.3 2.2 2.0 6.1 145 3 11 1 40.546 81.092 1.37598 66.5 2.7 2.5 6.1 146 2 5 4 40.825 81.65 1.3682 45.6 1.8 1.7 6.1 147 4 3 3 40.911 81.823 1.36581 108.8 4.4 4.1 6.1 148 1 7 4 41.425 82.851 1.35188 41.6 1.7 1.5 6.1 149 5 0 2 41.649 83.297 1.34594 309.9 12.5 11.5 6.1 150 3 0 4 41.775 83.55 1.34262 39.6 1.6 1.5 6.1 151 4 4 3 41.821 83.642 1.34141 51.0 2.1 1.9 6.1 152 3 8 3 42.18 84.359 1.33212 38.9 1.6 1.4 6.1 153 2 6 4 42.253 84.507 1.33023 103.2 4.2 3.8 6.1 154 4 10 0 42.563 85.126 1.32238 46.5 1.9 1.7 6.1 155 0 13 2 42.615 85.229 1.32108 108.9 4.4 4.0 6.1 156 2 10 3 42.657 85.315 1.32001 87.5 3.5 3.2 6.1 157 5 6 1 42.932 85.863 1.31321 320.0 12.9 11.8 6.1 158 5 7 0 43.487 86.975 1.29972 30.0 1.2 1.1 6.1 159 3 12 1 43.527 87.055 1.29876 205.3 8.3 7.6 6.1 160 4 10 1 43.686 87.373 1.29499 91.4 3.7 3.4 6.2 161 5 4 2 43.718 87.436 1.29424 85.3 3.4 3.1 6.2 162 3 11 2 43.926 87.852 1.28935 32.8 1.3 1.2 6.2 163 4 6 3 44.405 88.81 1.2783 186.0 7.5 6.8 6.2 164 0 1 5 44.503 89.006 1.27607 66.0 2.7 2.4 6.2 165 4 9 2 44.601 89.201 1.27387 468.0 18.8 17.1 6.2 166 0 12 3 45.0 90.0 1.26496 141.5 5.7 5.2 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) |