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 *** *********************** ELDRAGONITE 1 Cu(6)BiSe(4)[Se(2)] Orthorhombic P mcn Z = 4 R =0.026 NR =1731 26 .4 .13 Ref.Str.: Paar W.H., Cooper M.A., Moelo Y., Stanley C.J., Putz H., Topa D., Roberts A.C., Stirling J., Raith J.G., Rowe R. (2012) * Canad. Mineral., 50, 281-294 R: from the El Dragon mine, Potosi, Bolivia. N.A.D. Initial data from BDM-file Lattice parameters (cub. angs.,degr.): a = 4.0341 alpha = 90.0 b = 27.056 beta = 90.0 c = 9.5559 gamma = 90.0 Unit cell volume (cub. angs.) = 1042.99 Molar volume ( cub.cm/mol.) = 157.06 Co-ordinates, thermal parameters, occupation for atomic positions: NoP x/a y/b z/c B(j) atom / occupation 1 0.25 0.0226 0.0747 0.0 Cu = 1.00 2 0.25 0.1157 0.0274 0.0 Cu = 1.00 3 0.25 0.7878 0.1908 0.0 Cu = 1.00 4 0.25 0.5544 0.7812 0.0 Cu = 1.00 5 0.25 0.5019 0.0771 0.0 Cu = 1.00 6 0.25 0.26 0.1464 0.0 Cu = 1.00 7 0.25 0.6143 0.1066 0.0 Bi = 1.00 8 0.25 0.3973 0.1355 0.0 Se = 1.00 9 0.25 0.565 0.5234 0.0 Se = 1.00 10 0.25 0.1735 0.2132 0.0 Se = 1.00 11 0.25 0.0359 0.3331 0.0 Se = 1.00 12 0.25 0.334 0.3135 0.0 Se = 1.00 13 0.25 0.7674 0.4904 0.0 Se = 1.00 Co-ordinates for all atomic positions : No NoP x/a y/b z/c 1 1 0.25 0.0226 0.0747 2 2 0.25 0.1157 0.0274 3 3 0.25 0.7878 0.1908 4 4 0.25 0.5544 0.7812 5 5 0.25 0.5019 0.0771 6 6 0.25 0.26 0.1464 7 7 0.25 0.6143 0.1066 8 8 0.25 0.3973 0.1355 9 9 0.25 0.565 0.5234 10 10 0.25 0.1735 0.2132 11 11 0.25 0.0359 0.3331 12 12 0.25 0.334 0.3135 13 13 0.25 0.7674 0.4904 14 1 0.75 0.9773 0.9252 15 2 0.75 0.8843 0.9726 16 3 0.75 0.2122 0.8092 17 4 0.75 0.4456 0.2188 18 5 0.75 0.4981 0.923 19 6 0.75 0.74 0.8536 20 7 0.75 0.3857 0.8934 21 8 0.75 0.6027 0.8645 22 9 0.75 0.435 0.4766 23 10 0.75 0.8265 0.7868 24 11 0.75 0.9641 0.6669 25 12 0.75 0.666 0.6865 26 13 0.75 0.2326 0.5096 27 1 0.25 0.4773 0.5748 28 2 0.25 0.3843 0.5274 29 3 0.25 0.7122 0.6908 30 4 0.25 0.9456 0.2812 31 5 0.25 0.9981 0.577 32 6 0.25 0.24 0.6464 33 7 0.25 0.8857 0.6066 34 8 0.25 0.1027 0.6355 35 9 0.25 0.935 0.0234 36 10 0.25 0.3265 0.7132 37 11 0.25 0.4641 0.8331 38 12 0.25 0.166 0.8135 39 13 0.25 0.7326 0.9904 40 1 0.75 0.5227 0.4253 41 2 0.75 0.6157 0.4726 42 3 0.75 0.2878 0.3092 43 4 0.75 0.0544 0.7188 44 5 0.75 0.0019 0.423 45 6 0.75 0.76 0.3536 46 7 0.75 0.1143 0.3934 47 8 0.75 0.8973 0.3645 48 9 0.75 0.065 0.9766 49 10 0.75 0.6735 0.2868 50 11 0.75 0.5359 0.1669 51 12 0.75 0.834 0.1865 52 13 0.75 0.2674 0.0096 X-ray density (g/cm cub.) = 6.77 MU (1/cm) = 723.378 Mass attenuation coefficient (cm**2/g) = 106.79 Selected interatomic distances (cation-anion,anion-anion): NoP Atom Rad.sph. C.N. Distance NoP N. (angs.) (angs.) 1 Cu 3.492 4 2.4947 11 2.4227 9 2.5028 9 2.5028 9 2 Cu 3.492 4 2.3658 10 2.4541 12 2.4871 9 2.4871 9 3 Cu 3.492 4 2.9151 13 2.4291 13 2.3738 12 2.3738 12 4 Cu 3.492 4 2.4795 9 2.5316 8 2.5316 8 2.4951 11 5 Cu 3.492 4 2.8851 8 2.5461 11 2.3777 11 2.3777 11 6 Cu 3.492 4 2.4274 10 2.5611 12 2.4114 13 2.4114 13 7 Bi 3.756 7 3.0849 8 3.0849 8 3.3877 13 3.0978 10 3.0978 10 2.9831 11 2.9831 11 8 Se 4.632 11 4.0341 8 4.0341 8 2.4131 12 3.9665 9 3.9665 9 4.4659 10 3.4079 11 4.2698 11 4.2698 11 4.2266 13 4.2266 13 9 Se 4.632 13 4.0341 9 4.0341 9 3.9665 8 3.9665 8 4.0811 9 4.0811 9 3.7352 12 3.7352 12 4.0273 11 4.2184 10 4.2184 10 4.0368 11 4.0368 11 10 Se 4.632 12 4.0341 10 4.0341 10 3.8943 11 4.448 12 3.8272 13 3.8272 13 4.4659 8 3.8252 12 4.2184 9 4.2184 9 3.7825 13 3.7825 13 11 Se 4.632 11 3.8943 10 4.0341 11 4.0341 11 4.2455 11 4.2455 11 3.4079 8 4.0273 9 4.2698 8 4.2698 8 4.0368 9 4.0368 9 12 Se 4.632 11 2.4131 8 4.448 10 4.0341 12 4.0341 12 3.7352 9 3.7352 9 3.8874 13 3.8874 13 3.8252 10 3.969 13 3.969 13 13 Se 4.632 12 4.0341 13 4.0341 13 3.8272 10 3.8272 10 3.8874 12 3.8874 12 4.2266 8 4.2266 8 3.7825 10 3.7825 10 3.969 12 3.969 12 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 0 2 0 3.264 6.528 0.037 613.89 2 121.6 1668.8 2 0 1 1 4.904 9.808 0.055 270.69 4 106.4 1127.8 3 0 2 1 5.664 11.327 0.064 202.37 4 39.3 114.9 4 0 4 0 6.539 13.078 0.074 151.26 2 48.6 65.7 5 0 3 1 6.744 13.489 0.076 142.05 4 26.2 35.8 6 0 4 1 8.02 16.04 0.091 99.8 4 84.7 263.3 7 0 0 2 9.277 18.555 0.105 74.02 2 51.3 35.8 8 0 5 1 9.415 18.83 0.106 71.81 4 92.8 227.6 9 0 1 2 9.422 18.845 0.106 71.7 4 87.8 203.3 10 0 6 0 9.835 19.671 0.111 65.62 2 152.5 280.5 11 0 2 2 9.845 19.689 0.111 65.5 4 162.0 631.8 12 0 3 2 10.512 21.024 0.118 57.18 4 195.5 803.4 13 0 6 1 10.888 21.775 0.123 53.16 4 176.0 605.2 14 1 1 0 11.131 22.262 0.125 50.77 4 0.6 0.0 15 0 4 2 11.384 22.768 0.128 48.44 4 17.7 5.6 16 1 3 0 12.074 24.148 0.136 42.83 4 56.7 50.6 17 1 1 1 12.076 24.152 0.136 42.82 8 30.0 28.3 18 1 2 1 12.412 24.824 0.14 40.42 8 235.4 1646.7 19 0 7 1 12.414 24.828 0.14 40.41 4 53.2 42.1 20 0 5 2 12.419 24.839 0.14 40.37 4 170.6 431.9 21 1 3 1 12.954 25.908 0.146 36.94 8 191.9 1000.5 22 0 8 0 13.165 26.33 0.148 35.7 2 273.7 491.5 23 0 6 2 13.585 27.169 0.152 33.41 4 236.5 687.2 24 1 4 1 13.679 27.358 0.154 32.92 8 110.8 297.5 25 1 5 0 13.778 27.556 0.155 32.42 4 194.1 449.1 26 0 8 1 13.981 27.962 0.157 31.43 4 191.6 424.4 27 0 1 3 14.093 28.186 0.158 30.9 4 369.7 1553.0 28 0 2 3 14.385 28.77 0.161 29.58 4 255.7 711.0 29 1 0 2 14.472 28.943 0.162 29.2 4 582.4 3641.9 30 1 5 1 14.562 29.125 0.163 28.81 8 317.1 2130.3 31 1 1 2 14.567 29.134 0.163 28.79 8 227.3 1094.0 32 1 2 2 14.851 29.702 0.166 27.63 8 4.7 0.5 33 0 7 2 14.853 29.705 0.166 27.62 4 24.2 5.9 34 0 3 3 14.86 29.721 0.166 27.59 4 252.4 646.2 35 1 3 2 15.313 30.626 0.171 25.87 8 59.0 66.3 36 0 4 3 15.503 31.007 0.174 25.2 4 158.0 231.4 37 1 6 1 15.58 31.16 0.174 24.93 8 254.7 1189.3 38 0 9 1 15.582 31.163 0.174 24.92 4 448.4 1843.0 39 1 4 2 15.94 31.879 0.178 23.73 8 160.6 449.9 40 1 7 0 16.022 32.043 0.179 23.47 4 326.4 919.7 41 0 8 2 16.203 32.406 0.181 22.91 4 372.8 1170.6 42 0 5 3 16.297 32.593 0.182 22.62 4 470.2 1838.8 43 0 10 0 16.541 33.082 0.185 21.91 2 84.8 29.0 44 1 7 1 16.71 33.42 0.187 21.43 8 223.2 784.9 45 1 5 2 16.714 33.428 0.187 21.42 8 13.6 2.9 46 0 10 1 17.211 34.422 0.192 20.09 4 153.8 174.7 47 0 6 3 17.222 34.443 0.192 20.07 4 113.3 94.8 48 1 6 2 17.62 35.24 0.196 19.09 8 201.3 568.9 49 0 9 2 17.621 35.243 0.197 19.09 4 11.7 1.0 50 1 8 1 17.935 35.871 0.2 18.36 8 0.4 0.0 51 1 1 3 18.025 36.05 0.201 18.16 8 252.0 848.5 52 1 2 3 18.26 36.521 0.203 17.65 8 64.9 54.6 53 0 7 3 18.262 36.524 0.203 17.65 4 32.9 7.0 54 1 9 0 18.636 37.271 0.207 16.88 4 184.1 210.4 55 1 7 2 18.641 37.282 0.207 16.87 8 39.7 19.5 56 1 3 3 18.647 37.294 0.208 16.86 8 157.9 309.0 57 0 0 4 18.81 37.62 0.209 16.54 2 132.9 53.7 58 0 11 1 18.867 37.734 0.21 16.43 4 55.2 18.4 59 0 1 4 18.886 37.772 0.21 16.39 4 16.7 1.7 60 0 10 2 19.097 38.195 0.212 15.99 4 159.4 149.4 61 0 2 4 19.112 38.225 0.213 15.96 4 105.7 65.5 62 1 4 3 19.177 38.354 0.213 15.85 8 7.2 0.6 63 1 9 1 19.242 38.484 0.214 15.73 8 343.2 1362.2 64 0 8 3 19.402 38.804 0.216 15.44 4 12.4 0.9 65 0 3 4 19.484 38.969 0.217 15.3 4 126.8 90.5 66 1 8 2 19.762 39.524 0.219 14.82 8 463.3 2340.6 67 1 5 3 19.841 39.682 0.22 14.69 8 119.7 154.8 68 0 12 0 19.977 39.953 0.222 14.47 2 88.9 21.0 69 0 4 4 19.996 39.992 0.222 14.44 4 152.0 122.8 70 0 12 1 20.55 41.099 0.228 13.59 4 351.5 617.4 71 1 10 1 20.619 41.238 0.229 13.49 8 322.5 1031.5 72 0 11 2 20.624 41.247 0.229 13.48 4 209.7 217.9 73 1 6 3 20.628 41.256 0.229 13.47 8 134.2 178.4 74 0 9 3 20.629 41.259 0.229 13.47 4 123.7 75.7 75 0 5 4 20.638 41.275 0.229 13.46 4 22.5 2.5 76 1 9 2 20.972 41.944 0.232 12.99 8 7.6 0.5 77 0 6 4 21.401 42.801 0.237 12.41 4 31.4 4.5 78 1 11 0 21.518 43.035 0.238 12.26 4 54.4 13.3 79 1 7 3 21.528 43.055 0.238 12.25 8 25.9 6.1 80 0 10 3 21.934 43.868 0.242 11.74 4 351.2 532.4 81 1 0 4 22.007 44.015 0.243 11.65 4 374.3 600.2 82 1 11 1 22.058 44.115 0.244 11.59 8 190.6 309.8 83 1 1 4 22.074 44.148 0.244 11.57 8 60.4 31.1 84 0 12 2 22.195 44.391 0.245 11.43 4 26.2 2.9 85 0 13 1 22.258 44.517 0.246 11.36 4 30.9 4.0 86 1 10 2 22.26 44.521 0.246 11.36 8 426.8 1521.5 87 1 2 4 22.274 44.547 0.246 11.34 8 483.8 1952.7 88 0 7 4 22.275 44.55 0.246 11.34 4 207.6 179.8 89 2 0 0 22.45 44.901 0.248 11.14 2 1361.1 3794.8 90 1 8 3 22.53 45.059 0.249 11.05 8 261.6 556.4 91 1 3 4 22.603 45.205 0.249 10.97 8 145.1 170.0 92 2 2 0 22.712 45.425 0.251 10.85 4 101.3 41.0 93 2 1 1 23.038 46.075 0.254 10.51 8 83.3 53.6 94 1 4 4 23.057 46.114 0.254 10.49 8 63.5 31.1 95 2 2 1 23.23 46.461 0.256 10.31 8 31.5 7.5 96 0 8 4 23.251 46.502 0.256 10.29 4 386.8 566.1 97 0 11 3 23.308 46.615 0.257 10.24 4 122.3 56.3 98 2 4 0 23.485 46.969 0.259 10.06 4 28.0 2.9 99 0 14 0 23.489 46.979 0.259 10.06 2 407.4 306.9 100 2 3 1 23.549 47.098 0.259 10.0 8 18.7 2.6 101 1 12 1 23.553 47.105 0.259 10.0 8 240.3 424.6 102 1 11 2 23.619 47.238 0.26 9.93 8 287.7 604.7 103 1 9 3 23.624 47.249 0.26 9.93 8 248.0 448.9 104 1 5 4 23.632 47.263 0.26 9.92 8 502.3 1841.0 105 0 13 2 23.809 47.619 0.262 9.75 4 193.7 134.6 106 0 1 5 23.831 47.662 0.262 9.73 4 302.9 328.4 107 2 4 1 23.99 47.98 0.264 9.59 8 69.6 34.1 108 0 14 1 23.994 47.989 0.264 9.58 4 74.6 19.6 109 0 2 5 24.019 48.038 0.264 9.56 4 85.7 25.8 110 1 6 4 24.32 48.639 0.267 9.3 8 134.7 124.0 111 0 9 4 24.321 48.641 0.267 9.29 4 133.4 60.8 112 0 3 5 24.33 48.66 0.267 9.29 4 417.1 594.0 113 2 0 2 24.489 48.978 0.269 9.15 4 44.1 6.5 114 2 5 1 24.548 49.095 0.27 9.1 8 74.1 36.7 115 2 1 2 24.551 49.101 0.27 9.1 8 70.4 33.2 116 1 13 0 24.611 49.223 0.27 9.05 4 611.0 1241.8 117 2 6 0 24.73 49.461 0.272 8.95 4 125.2 51.6 118 2 2 2 24.734 49.469 0.272 8.95 8 137.3 124.0 119 0 12 3 24.744 49.488 0.272 8.94 4 199.3 130.5 120 0 4 5 24.76 49.52 0.272 8.92 4 188.8 117.0 121 1 10 3 24.804 49.608 0.272 8.89 8 481.1 1512.6 122 2 3 2 25.038 50.077 0.275 8.7 8 159.4 162.5 123 1 12 2 25.042 50.084 0.275 8.7 8 44.1 12.5 124 1 13 1 25.099 50.199 0.275 8.65 8 65.9 27.6 125 1 7 4 25.114 50.229 0.276 8.64 8 120.6 92.4 126 2 6 1 25.217 50.433 0.277 8.56 8 158.5 158.2 127 0 5 5 25.305 50.61 0.277 8.49 4 191.0 113.9 128 2 4 2 25.46 50.92 0.279 8.38 8 6.4 0.2 129 0 14 2 25.464 50.928 0.279 8.37 4 103.1 32.7 130 0 10 4 25.476 50.952 0.279 8.36 4 272.9 229.1 131 0 15 1 25.759 51.518 0.282 8.16 4 198.6 118.3 132 0 6 5 25.96 51.92 0.284 8.01 4 133.0 52.1 133 2 7 1 25.991 51.983 0.284 7.99 8 45.0 11.9 134 2 5 2 25.994 51.988 0.284 7.99 8 149.3 130.9 135 1 8 4 26.009 52.018 0.285 7.98 8 105.2 65.0 136 1 11 3 26.061 52.122 0.285 7.94 8 84.9 42.1 137 0 13 3 26.238 52.477 0.287 7.82 4 361.0 374.8 138 2 8 0 26.401 52.801 0.289 7.71 4 240.2 163.6 139 1 13 2 26.524 53.048 0.29 7.63 8 215.4 260.4 140 1 1 5 26.544 53.089 0.29 7.62 8 215.9 261.2 141 2 6 2 26.637 53.274 0.291 7.56 8 183.3 186.6 142 1 14 1 26.695 53.39 0.292 7.52 8 22.9 2.9 143 0 11 4 26.711 53.421 0.292 7.51 4 191.2 100.9 144 1 2 5 26.718 53.436 0.292 7.5 8 53.0 15.5 145 0 7 5 26.719 53.438 0.292 7.5 4 139.0 53.3 146 2 8 1 26.865 53.73 0.293 7.41 8 159.2 138.2 147 2 1 3 26.93 53.861 0.294 7.37 8 308.4 515.6 148 1 9 4 26.998 53.995 0.295 7.33 8 58.8 18.7 149 1 3 5 27.006 54.012 0.295 7.32 8 191.2 196.8 150 0 16 0 27.098 54.196 0.296 7.27 2 124.3 20.7 151 2 2 3 27.102 54.205 0.296 7.26 8 223.9 267.7 152 0 15 2 27.159 54.318 0.296 7.23 4 81.1 17.5 153 2 7 2 27.383 54.766 0.299 7.1 8 13.7 1.0 154 2 3 3 27.388 54.775 0.299 7.09 8 205.1 219.5 155 1 12 3 27.391 54.782 0.299 7.09 8 36.5 7.0 156 1 4 5 27.406 54.812 0.299 7.08 8 215.9 242.9 157 0 16 1 27.555 55.109 0.3 7.0 4 31.3 2.5 158 0 8 5 27.577 55.154 0.301 6.98 4 89.2 20.4 159 2 4 3 27.784 55.568 0.303 6.87 8 137.7 95.8 160 0 14 3 27.788 55.576 0.303 6.86 4 177.5 79.5 161 2 9 1 27.833 55.665 0.303 6.84 8 372.2 696.6 162 1 15 0 27.891 55.782 0.304 6.81 4 63.9 10.2 163 1 5 5 27.914 55.828 0.304 6.79 8 195.0 190.0 164 0 12 4 28.019 56.038 0.305 6.74 4 86.3 18.5 165 1 14 2 28.063 56.126 0.305 6.71 8 148.4 108.7 166 1 10 4 28.074 56.148 0.305 6.71 8 32.6 5.2 167 2 8 2 28.227 56.454 0.307 6.62 8 320.7 500.9 168 2 5 3 28.288 56.575 0.308 6.59 8 397.7 766.5 169 1 15 1 28.339 56.678 0.308 6.56 8 100.1 48.3 170 2 10 0 28.446 56.892 0.309 6.51 4 77.6 14.4 171 1 6 5 28.527 57.054 0.31 6.47 8 50.8 12.3 172 0 9 5 28.528 57.056 0.31 6.47 4 229.8 125.5 173 1 13 3 28.789 57.577 0.313 6.33 8 137.1 87.6 174 2 10 1 28.888 57.776 0.314 6.29 8 130.6 78.9 175 0 16 2 28.895 57.79 0.314 6.28 4 203.5 95.6 176 2 6 3 28.895 57.791 0.314 6.28 8 94.6 41.3 177 0 0 6 28.924 57.848 0.314 6.27 2 125.3 18.1 178 0 1 6 28.979 57.957 0.314 6.24 4 50.6 5.9 179 0 2 6 29.143 58.285 0.316 6.16 4 273.0 168.9 180 2 9 2 29.164 58.329 0.316 6.15 8 16.1 1.2 181 1 11 4 29.233 58.466 0.317 6.12 8 312.7 440.1 182 1 7 5 29.241 58.482 0.317 6.12 8 92.2 38.3 183 0 17 1 29.384 58.767 0.318 6.05 4 240.7 128.9 184 0 15 3 29.391 58.781 0.319 6.05 4 17.6 0.7 185 0 13 4 29.397 58.794 0.319 6.04 4 41.3 3.8 186 0 3 6 29.415 58.83 0.319 6.03 4 200.7 89.4 187 0 10 5 29.568 59.135 0.32 5.96 4 70.0 10.8 188 2 7 3 29.603 59.207 0.321 5.95 8 25.5 2.8 189 1 15 2 29.656 59.312 0.321 5.92 8 68.0 20.1 190 0 4 6 29.793 59.587 0.323 5.86 4 101.7 22.3 191 2 0 4 29.987 59.973 0.324 5.78 4 117.1 29.1 192 2 11 1 30.027 60.054 0.325 5.76 8 44.7 8.5 193 1 16 1 30.03 60.06 0.325 5.76 8 227.4 219.1 194 2 1 4 30.04 60.08 0.325 5.76 8 14.9 0.9 195 1 8 5 30.051 60.102 0.325 5.75 8 115.1 56.0 196 2 10 2 30.19 60.38 0.326 5.69 8 140.9 83.1 197 2 2 4 30.201 60.401 0.327 5.69 8 87.6 32.1 198 1 14 3 30.251 60.502 0.327 5.67 8 166.9 116.1 199 0 5 6 30.276 60.551 0.327 5.66 4 133.6 37.1 200 2 8 3 30.408 60.816 0.329 5.6 8 10.6 0.5 201 2 3 4 30.467 60.934 0.329 5.58 8 109.4 49.1 202 1 12 4 30.47 60.94 0.329 5.58 8 69.9 20.0 203 0 17 2 30.673 61.345 0.331 5.5 4 144.2 42.0 204 0 11 5 30.691 61.382 0.331 5.49 4 276.1 153.8 205 2 12 0 30.824 61.647 0.333 5.44 4 81.0 13.1 206 0 18 0 30.828 61.655 0.333 5.43 2 586.9 344.1 207 2 4 4 30.838 61.675 0.333 5.43 8 128.2 65.7 208 0 14 4 30.842 61.683 0.333 5.43 4 281.6 158.3 209 0 6 6 30.859 61.718 0.333 5.42 4 197.0 77.3 210 1 9 5 30.954 61.908 0.334 5.39 8 51.9 10.7 211 0 16 3 31.046 62.092 0.335 5.35 4 51.3 5.2 212 2 12 1 31.245 62.49 0.337 5.27 8 307.6 367.1 213 0 18 1 31.249 62.498 0.337 5.27 4 144.5 40.5 214 2 11 2 31.3 62.6 0.337 5.25 8 184.9 132.1 215 1 16 2 31.303 62.606 0.337 5.25 8 197.6 150.9 216 2 9 3 31.304 62.609 0.337 5.25 8 107.4 44.6 217 2 5 4 31.31 62.621 0.337 5.25 8 18.8 1.4 218 1 0 6 31.331 62.661 0.338 5.24 4 140.6 38.1 219 1 17 0 31.352 62.704 0.338 5.24 4 50.3 4.9 220 1 1 6 31.383 62.766 0.338 5.22 8 108.5 45.2 221 1 2 6 31.539 63.078 0.34 5.17 8 2.7 0.0 222 0 7 6 31.54 63.08 0.34 5.17 4 41.9 3.3 223 1 17 1 31.769 63.538 0.342 5.09 8 216.7 175.7 224 1 15 3 31.776 63.552 0.342 5.08 8 8.9 0.3 225 1 13 4 31.782 63.564 0.342 5.08 8 27.0 2.7 226 1 3 6 31.799 63.598 0.342 5.08 8 239.1 213.4 227 2 6 4 31.883 63.765 0.343 5.05 8 27.7 2.8 228 0 12 5 31.894 63.788 0.343 5.04 4 185.1 63.5 229 1 10 5 31.945 63.89 0.343 5.02 8 298.1 328.4 230 1 4 6 32.161 64.322 0.346 4.95 8 139.1 70.5 231 2 10 3 32.29 64.579 0.347 4.91 8 307.7 341.8 232 0 8 6 32.316 64.632 0.347 4.9 4 154.2 42.8 233 0 15 4 32.351 64.701 0.347 4.89 4 283.3 144.3 234 2 12 2 32.491 64.981 0.349 4.84 8 21.7 1.7 235 0 18 2 32.494 64.989 0.349 4.84 4 5.0 0.0 236 2 13 1 32.539 65.079 0.349 4.83 8 25.2 2.3 237 2 7 4 32.552 65.104 0.349 4.82 8 181.0 116.3 238 1 5 6 32.623 65.246 0.35 4.8 8 141.3 70.5 239 0 17 3 32.754 65.509 0.351 4.76 4 122.7 26.4 240 1 17 2 33.004 66.008 0.354 4.68 8 33.2 3.8 241 1 11 5 33.021 66.043 0.354 4.68 8 18.8 1.2 242 0 19 1 33.155 66.309 0.355 4.64 4 70.9 8.6 243 1 14 4 33.166 66.332 0.355 4.63 8 108.7 40.2 244 0 13 5 33.175 66.349 0.355 4.63 4 142.8 34.7 245 1 6 6 33.183 66.366 0.355 4.63 8 204.4 142.3 246 0 9 6 33.184 66.368 0.355 4.63 4 111.5 21.2 247 2 8 4 33.315 66.631 0.357 4.59 8 339.7 389.5 248 2 11 3 33.36 66.72 0.357 4.58 8 107.3 38.7 249 1 16 3 33.363 66.726 0.357 4.58 8 24.5 2.0 250 2 14 0 33.504 67.008 0.358 4.54 4 355.8 211.1 251 1 18 1 33.558 67.116 0.359 4.52 8 223.4 166.0 252 2 13 2 33.759 67.518 0.361 4.46 8 170.1 95.0 253 2 1 5 33.777 67.553 0.361 4.46 8 265.6 231.4 254 1 7 6 33.839 67.677 0.361 4.44 8 127.7 53.2 255 2 14 1 33.907 67.815 0.362 4.42 8 64.9 13.7 256 0 16 4 33.923 67.847 0.362 4.42 4 76.7 9.6 257 2 2 5 33.927 67.854 0.362 4.42 8 74.9 18.2 258 0 10 6 34.14 68.28 0.364 4.36 4 247.9 98.6 259 2 9 4 34.17 68.34 0.365 4.35 8 115.8 42.9 260 2 3 5 34.177 68.355 0.365 4.35 8 366.5 429.8 261 1 12 5 34.18 68.36 0.365 4.35 8 181.5 105.4 262 0 19 2 34.363 68.727 0.366 4.3 4 168.4 44.9 263 0 1 7 34.4 68.801 0.367 4.29 4 41.8 2.8 264 2 12 3 34.513 69.026 0.368 4.26 8 176.9 98.1 265 0 18 3 34.517 69.034 0.368 4.26 4 26.9 1.1 266 2 4 5 34.526 69.053 0.368 4.26 8 165.3 85.6 267 0 14 5 34.53 69.06 0.368 4.26 4 219.8 75.7 268 0 2 7 34.55 69.099 0.368 4.26 4 230.3 83.0 269 1 8 6 34.588 69.176 0.368 4.25 8 203.0 128.6 270 1 15 4 34.621 69.242 0.369 4.24 8 171.4 91.5 271 0 20 0 34.708 69.416 0.37 4.22 2 112.1 9.7 272 1 18 2 34.76 69.52 0.37 4.2 8 251.3 195.2 273 0 3 7 34.798 69.596 0.37 4.19 4 207.9 66.6 274 2 5 5 34.973 69.945 0.372 4.15 8 169.0 87.2 275 3 1 0 34.997 69.994 0.372 4.15 4 5.8 0.1 276 1 19 0 35.004 70.009 0.372 4.14 4 231.6 81.7 277 1 17 3 35.012 70.023 0.372 4.14 8 331.6 335.0 278 2 14 2 35.104 70.207 0.373 4.12 8 88.7 23.8 279 0 20 1 35.105 70.21 0.373 4.12 4 44.4 3.0 280 2 10 4 35.113 70.227 0.373 4.12 8 240.3 174.9 281 0 4 7 35.144 70.288 0.374 4.11 4 100.1 15.1 282 0 11 6 35.183 70.365 0.374 4.1 4 197.1 58.6 283 2 15 1 35.348 70.695 0.376 4.06 8 173.6 90.1 284 3 3 0 35.391 70.783 0.376 4.05 4 49.2 3.6 285 3 1 1 35.392 70.784 0.376 4.05 8 23.0 1.6 286 1 19 1 35.4 70.799 0.376 4.05 8 79.5 18.8 287 1 13 5 35.419 70.838 0.376 4.05 8 19.2 1.1 288 1 9 6 35.428 70.856 0.376 4.04 8 96.5 27.7 289 2 6 5 35.515 71.029 0.377 4.03 8 116.0 39.8 290 3 2 1 35.54 71.079 0.377 4.02 8 181.4 97.2 291 0 17 4 35.56 71.12 0.377 4.02 4 94.6 13.2 292 0 5 7 35.587 71.173 0.378 4.01 4 146.5 31.6 293 2 13 3 35.747 71.494 0.379 3.97 8 318.4 296.2 294 3 3 1 35.785 71.569 0.38 3.97 8 138.4 55.8 295 0 15 5 35.959 71.918 0.381 3.93 4 40.6 2.4 296 0 6 7 36.125 72.249 0.383 3.89 4 51.6 3.8 297 3 4 1 36.127 72.253 0.383 3.89 8 68.2 13.3 298 2 11 4 36.143 72.287 0.383 3.89 8 168.8 81.5 299 1 16 4 36.146 72.292 0.383 3.89 8 112.5 36.2 300 2 7 5 36.151 72.301 0.383 3.89 8 123.2 43.4 301 3 5 0 36.175 72.349 0.383 3.88 4 134.6 25.9 302 0 20 2 36.283 72.567 0.384 3.86 4 84.5 10.1 303 0 12 6 36.309 72.618 0.384 3.86 4 17.4 0.4 304 0 19 3 36.336 72.672 0.385 3.85 4 30.2 1.3 305 1 10 6 36.357 72.714 0.385 3.85 8 34.4 3.4 306 2 16 0 36.471 72.942 0.386 3.82 4 111.5 17.5 307 3 0 2 36.518 73.037 0.386 3.81 4 444.4 276.9 308 2 15 2 36.523 73.046 0.386 3.81 8 73.3 15.1 309 3 5 1 36.565 73.129 0.387 3.8 8 234.2 153.4 310 3 1 2 36.567 73.134 0.387 3.8 8 156.7 68.7 311 1 19 2 36.574 73.148 0.387 3.8 8 121.1 41.0 312 1 1 7 36.61 73.22 0.387 3.79 8 333.3 310.0 313 3 2 2 36.712 73.425 0.388 3.77 8 3.7 0.0 314 1 18 3 36.724 73.447 0.388 3.77 8 120.3 40.2 315 1 14 5 36.736 73.473 0.388 3.77 8 204.0 115.3 316 1 2 7 36.755 73.511 0.388 3.77 8 230.2 146.8 317 0 7 7 36.756 73.513 0.388 3.77 4 53.3 3.9 318 2 16 1 36.86 73.719 0.389 3.75 8 28.5 2.2 319 2 8 5 36.879 73.758 0.39 3.74 8 78.7 17.0 320 3 3 2 36.954 73.909 0.39 3.73 8 47.9 6.3 321 1 3 7 36.997 73.995 0.391 3.72 8 64.3 11.3 322 2 14 3 37.059 74.119 0.391 3.71 8 158.2 68.3 323 3 6 1 37.097 74.194 0.392 3.7 8 194.5 103.0 324 0 21 1 37.105 74.21 0.392 3.7 4 324.5 143.3 325 2 12 4 37.258 74.516 0.393 3.67 8 77.0 16.0 326 0 18 4 37.261 74.523 0.393 3.67 4 23.7 0.8 327 3 4 2 37.292 74.584 0.393 3.67 8 114.9 35.6 328 1 20 1 37.297 74.594 0.393 3.67 8 195.8 103.3 329 1 4 7 37.335 74.67 0.394 3.66 8 165.3 73.5 330 3 7 0 37.337 74.674 0.394 3.66 4 238.5 76.5 331 1 11 6 37.373 74.746 0.394 3.65 8 113.3 34.5 332 0 16 5 37.461 74.922 0.395 3.64 4 51.0 3.5 333 0 8 7 37.48 74.96 0.395 3.63 4 147.8 29.2 334 0 13 6 37.518 75.036 0.395 3.63 4 13.7 0.3 335 2 9 5 37.698 75.396 0.397 3.59 8 206.6 112.8 336 3 7 1 37.722 75.445 0.397 3.59 8 171.4 77.6 337 3 5 2 37.725 75.45 0.397 3.59 8 14.3 0.5 338 1 17 4 37.741 75.483 0.397 3.59 8 18.5 0.9 339 1 5 7 37.767 75.535 0.398 3.58 8 219.9 127.4 340 2 16 2 38.017 76.033 0.4 3.54 8 180.5 84.8 341 2 0 6 38.042 76.084 0.4 3.54 4 109.1 15.5 342 2 1 6 38.09 76.18 0.4 3.53 8 46.0 5.5 343 1 15 5 38.132 76.263 0.401 3.52 8 171.1 75.9 344 0 20 3 38.215 76.431 0.402 3.51 4 320.8 132.8 345 2 2 6 38.233 76.466 0.402 3.51 8 242.8 152.0 346 3 6 2 38.251 76.503 0.402 3.5 8 150.7 58.5 347 0 21 2 38.259 76.519 0.402 3.5 4 9.6 0.1 348 1 6 7 38.294 76.588 0.402 3.5 8 121.7 38.1 349 0 9 7 38.295 76.589 0.402 3.5 4 105.3 14.3 350 3 8 1 38.44 76.88 0.404 3.47 8 0.4 0.0 351 2 17 1 38.444 76.889 0.404 3.47 8 215.5 118.6 352 1 20 2 38.449 76.899 0.404 3.47 8 20.6 1.1 353 2 15 3 38.451 76.901 0.404 3.47 8 15.1 0.6 354 2 13 4 38.456 76.912 0.404 3.47 8 36.5 3.4 355 2 3 6 38.472 76.944 0.404 3.47 8 180.1 82.7 356 1 12 6 38.474 76.949 0.404 3.47 8 31.3 2.5 357 3 1 3 38.494 76.988 0.404 3.47 8 194.7 96.6 358 1 19 3 38.501 77.002 0.404 3.46 8 292.1 217.4 359 2 10 5 38.606 77.212 0.405 3.45 8 62.1 9.8 360 3 2 3 38.637 77.273 0.405 3.44 8 48.1 5.9 361 0 22 0 38.78 77.561 0.407 3.42 2 309.8 60.4 362 2 4 6 38.805 77.61 0.407 3.42 8 91.6 21.1 363 0 14 6 38.809 77.617 0.407 3.42 4 34.2 1.5 364 3 9 0 38.868 77.735 0.407 3.41 4 143.6 25.9 365 3 7 2 38.871 77.741 0.407 3.41 8 26.4 1.7 366 1 21 0 38.875 77.749 0.407 3.41 4 225.6 63.8 367 3 3 3 38.875 77.749 0.407 3.41 8 120.5 36.4 368 1 7 7 38.913 77.826 0.408 3.4 8 75.3 14.2 369 0 19 4 39.03 78.061 0.409 3.39 4 89.5 10.0 370 0 17 5 39.037 78.075 0.409 3.38 4 322.3 129.2 371 0 22 1 39.161 78.322 0.41 3.37 4 211.7 55.5 372 0 10 7 39.199 78.397 0.41 3.36 4 28.3 1.0 373 3 4 3 39.207 78.414 0.41 3.36 8 9.6 0.2 374 2 5 6 39.232 78.465 0.411 3.36 8 119.6 35.3 375 3 9 1 39.248 78.496 0.411 3.35 8 264.6 172.8 376 1 21 1 39.255 78.51 0.411 3.35 8 60.7 9.1 377 1 18 4 39.409 78.818 0.412 3.33 8 160.9 63.4 378 3 8 2 39.582 79.163 0.414 3.31 8 362.0 318.8 379 2 17 2 39.586 79.172 0.414 3.31 8 129.1 40.6 380 2 11 5 39.602 79.205 0.414 3.31 8 245.5 146.5 381 1 16 5 39.605 79.21 0.414 3.31 8 227.4 125.7 382 1 8 7 39.624 79.247 0.414 3.3 8 200.2 97.4 383 3 5 3 39.633 79.266 0.414 3.3 8 93.5 21.2 384 1 13 6 39.661 79.322 0.414 3.3 8 110.8 29.8 385 2 18 0 39.725 79.449 0.415 3.29 4 524.6 332.9 386 2 14 4 39.737 79.474 0.415 3.29 8 252.4 154.0 387 2 6 6 39.753 79.505 0.415 3.29 8 174.7 73.7 388 2 16 3 39.921 79.841 0.417 3.26 8 47.7 5.5 389 2 18 1 40.103 80.206 0.418 3.24 8 129.2 39.8 390 3 10 1 40.146 80.291 0.419 3.24 8 251.8 150.9 391 3 6 3 40.152 80.304 0.419 3.24 8 104.8 26.1 392 0 0 8 40.155 80.311 0.419 3.24 2 13.1 0.1 393 0 21 3 40.16 80.32 0.419 3.23 4 41.6 2.1 394 0 15 6 40.181 80.361 0.419 3.23 4 295.5 103.8 395 0 11 7 40.191 80.382 0.419 3.23 4 31.7 1.2 396 0 1 8 40.202 80.405 0.419 3.23 4 143.1 24.3 397 0 22 2 40.297 80.594 0.42 3.22 4 120.4 17.1 398 0 2 8 40.344 80.687 0.42 3.21 4 75.1 6.7 399 1 20 3 40.347 80.694 0.42 3.21 8 291.8 201.2 400 2 7 6 40.366 80.731 0.42 3.21 8 39.2 3.6 401 3 9 2 40.383 80.767 0.421 3.21 8 5.7 0.1 402 1 21 2 40.39 80.781 0.421 3.21 8 132.7 41.5 403 1 9 7 40.425 80.851 0.421 3.2 8 362.7 309.8 404 0 3 8 40.579 81.158 0.422 3.19 4 51.8 3.1 405 2 12 5 40.686 81.372 0.423 3.17 8 164.7 63.3 406 0 18 5 40.69 81.379 0.423 3.17 4 50.6 3.0 407 3 11 0 40.756 81.513 0.424 3.16 4 46.6 2.5 408 3 7 3 40.763 81.527 0.424 3.16 8 20.0 0.9 409 0 20 4 40.87 81.741 0.425 3.15 4 127.9 19.0 410 0 4 8 40.908 81.815 0.425 3.15 4 210.8 51.4 411 1 14 6 40.932 81.864 0.425 3.15 8 237.3 130.3 412 2 8 6 41.07 82.14 0.426 3.13 8 139.0 44.5 413 3 0 4 41.097 82.194 0.427 3.13 4 293.1 98.8 414 2 15 4 41.101 82.203 0.427 3.13 8 253.8 148.1 415 3 11 1 41.132 82.265 0.427 3.12 8 148.3 50.5 416 3 1 4 41.144 82.288 0.427 3.12 8 43.9 4.4 417 1 19 4 41.151 82.302 0.427 3.12 8 213.2 104.4 418 1 17 5 41.158 82.316 0.427 3.12 8 270.0 167.3 419 2 18 2 41.233 82.466 0.428 3.11 8 5.1 0.1 420 0 12 7 41.271 82.542 0.428 3.11 4 50.3 2.9 421 3 10 2 41.275 82.551 0.428 3.11 8 334.0 255.1 422 1 22 1 41.28 82.56 0.428 3.11 8 57.5 7.6 423 0 23 1 41.281 82.561 0.428 3.11 4 22.7 0.6 424 3 2 4 41.285 82.569 0.428 3.11 8 378.6 327.6 425 1 10 7 41.317 82.634 0.429 3.1 8 90.8 18.8 426 0 5 8 41.329 82.659 0.429 3.1 4 167.4 32.0 427 3 8 3 41.466 82.933 0.43 3.09 8 202.9 93.5 428 2 17 3 41.471 82.941 0.43 3.09 8 110.2 27.6 429 3 3 4 41.519 83.037 0.43 3.08 8 117.6 31.4 430 0 16 6 41.635 83.271 0.431 3.07 4 171.1 33.1 431 2 19 1 41.839 83.677 0.433 3.05 8 64.2 9.3 432 0 6 8 41.844 83.688 0.433 3.05 4 384.3 165.8 433 3 4 4 41.846 83.692 0.433 3.05 8 51.5 5.9 434 2 13 5 41.857 83.714 0.433 3.05 8 130.3 38.1 435 2 9 6 41.866 83.731 0.433 3.05 8 100.0 22.4 436 0 22 3 42.175 84.35 0.436 3.02 4 38.2 1.6 437 3 12 1 42.208 84.416 0.436 3.02 8 191.9 81.8 438 3 11 2 42.257 84.514 0.437 3.02 8 224.0 111.3 439 3 9 3 42.261 84.521 0.437 3.01 8 197.7 86.6 440 1 0 8 42.263 84.526 0.437 3.01 4 122.7 16.7 441 3 5 4 42.266 84.532 0.437 3.01 8 394.6 345.2 442 1 21 3 42.268 84.535 0.437 3.01 8 78.7 13.7 443 1 15 6 42.288 84.577 0.437 3.01 8 302.9 203.3 444 1 11 7 42.298 84.597 0.437 3.01 8 119.4 31.6 445 1 1 8 42.31 84.62 0.437 3.01 8 104.2 24.1 446 1 22 2 42.404 84.807 0.438 3.0 8 257.0 145.9 447 0 23 2 42.404 84.809 0.438 3.0 4 310.1 106.2 448 0 19 5 42.421 84.841 0.438 3.0 4 331.3 121.1 449 0 13 7 42.439 84.878 0.438 3.0 4 0.8 0.0 450 1 2 8 42.45 84.9 0.438 3.0 8 17.9 0.7 451 0 7 8 42.451 84.901 0.438 3.0 4 556.1 341.0 452 2 16 4 42.55 85.1 0.439 2.99 8 67.6 10.0 453 1 3 8 42.683 85.366 0.44 2.98 8 118.8 30.9 454 2 10 6 42.752 85.504 0.441 2.97 8 223.1 108.8 455 3 6 4 42.779 85.558 0.441 2.97 8 105.4 24.3 456 0 21 4 42.787 85.573 0.441 2.97 4 134.8 19.8 457 1 18 5 42.793 85.585 0.441 2.97 8 39.2 3.4 458 2 19 2 42.96 85.92 0.442 2.96 8 153.2 51.1 459 1 20 4 42.972 85.944 0.442 2.96 8 15.8 0.5 460 2 1 7 42.995 85.989 0.443 2.95 8 37.7 3.1 461 3 13 0 42.999 85.999 0.443 2.95 4 479.5 249.8 462 1 23 0 43.006 86.012 0.443 2.95 4 117.2 14.9 463 1 4 8 43.009 86.018 0.443 2.95 8 9.5 0.2 464 0 24 0 43.1 86.2 0.444 2.95 2 4.0 0.0 465 2 18 3 43.104 86.207 0.444 2.95 8 24.9 1.3 466 2 14 5 43.116 86.232 0.444 2.95 8 197.0 84.1 467 2 2 7 43.134 86.269 0.444 2.94 8 209.3 94.8 468 3 10 3 43.146 86.292 0.444 2.94 8 376.1 306.1 469 0 8 8 43.149 86.299 0.444 2.94 4 186.9 37.8 470 0 17 6 43.174 86.349 0.444 2.94 4 21.4 0.5 471 2 20 0 43.283 86.566 0.445 2.93 4 101.4 11.1 472 3 12 2 43.328 86.656 0.445 2.93 8 37.8 3.1 473 2 3 7 43.367 86.734 0.446 2.93 8 186.2 74.7 474 1 12 7 43.37 86.739 0.446 2.93 8 118.5 30.2 475 3 13 1 43.372 86.745 0.446 2.93 8 49.2 5.2 476 1 23 1 43.379 86.759 0.446 2.93 8 208.9 93.9 477 3 7 4 43.384 86.768 0.446 2.93 8 99.5 21.3 478 1 5 8 43.428 86.855 0.446 2.92 8 26.0 1.4 479 0 24 1 43.473 86.946 0.447 2.92 4 159.1 27.2 480 2 20 1 43.656 87.311 0.448 2.91 8 38.2 3.1 481 2 4 7 43.692 87.385 0.448 2.9 8 88.8 16.8 482 0 14 7 43.696 87.392 0.448 2.9 4 1.8 0.0 483 2 11 6 43.729 87.458 0.449 2.9 8 178.8 68.2 484 1 16 6 43.732 87.463 0.449 2.9 8 4.1 0.0 485 1 6 8 43.939 87.878 0.45 2.89 8 255.0 138.1 486 0 9 8 43.94 87.88 0.45 2.89 4 58.5 3.6 487 3 8 4 44.081 88.162 0.452 2.88 8 85.3 15.4 488 2 17 4 44.085 88.171 0.452 2.88 8 84.5 15.1 489 2 5 7 44.111 88.222 0.452 2.88 8 131.3 36.5 490 3 11 3 44.122 88.245 0.452 2.88 8 66.6 9.4 491 0 20 5 44.235 88.47 0.453 2.87 4 55.4 3.2 492 1 22 3 44.269 88.537 0.453 2.87 8 73.5 11.4 493 0 23 3 44.269 88.539 0.453 2.87 4 314.2 104.1 494 2 15 5 44.464 88.928 0.455 2.86 8 35.5 2.6 495 3 13 2 44.49 88.98 0.455 2.86 8 170.6 61.1 496 1 23 2 44.497 88.994 0.455 2.85 8 7.8 0.1 497 3 1 5 44.506 89.012 0.455 2.85 8 171.6 61.8 498 1 19 5 44.513 89.026 0.455 2.85 8 15.3 0.5 499 1 13 7 44.531 89.063 0.455 2.85 8 280.1 164.7 500 1 7 8 44.543 89.086 0.455 2.85 8 108.0 24.5 501 0 24 2 44.591 89.181 0.456 2.85 4 236.0 58.3 502 2 6 7 44.622 89.243 0.456 2.85 8 49.5 5.1 503 3 14 1 44.627 89.254 0.456 2.85 8 15.6 0.5 504 3 2 5 44.645 89.291 0.456 2.85 8 46.8 4.6 505 2 20 2 44.773 89.546 0.457 2.84 8 75.7 12.0 506 0 22 4 44.786 89.571 0.457 2.84 4 150.8 23.7 507 2 12 6 44.798 89.595 0.457 2.84 8 17.3 0.6 508 0 18 6 44.801 89.602 0.457 2.84 4 59.3 3.7 509 0 10 8 44.822 89.645 0.458 2.84 4 26.4 0.7 510 2 19 3 44.823 89.647 0.458 2.84 8 28.2 1.7 511 3 9 4 44.871 89.742 0.458 2.83 8 45.9 4.4 512 1 21 4 44.878 89.755 0.458 2.83 8 16.3 0.6 513 3 3 5 44.878 89.755 0.458 2.83 8 152.0 48.2 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 0 2 0 3.264 6.528 13.528 1668.8 44.0 45.3 5.5 2 0 1 1 4.904 9.808 9.01042 1127.8 29.7 30.6 5.6 3 0 2 1 5.664 11.327 7.80504 114.9 3.0 3.1 5.6 4 0 4 0 6.539 13.078 6.764 65.7 1.7 1.8 5.6 5 0 4 1 8.02 16.04 5.52089 263.3 6.9 7.1 5.6 6 0 5 1 9.415 18.83 4.70867 430.9 11.4 11.6 5.6 7 0 2 2 9.845 19.689 4.50521 912.4 24.0 24.6 5.6 8 0 3 2 10.512 21.024 4.22204 803.4 21.2 21.6 5.6 9 0 6 1 10.888 21.775 4.07808 605.2 15.9 16.3 5.6 10 1 3 0 12.074 24.148 3.68249 78.9 2.1 2.1 5.6 11 1 2 1 12.412 24.824 3.58372 2120.7 55.9 56.9 5.6 12 1 3 1 12.954 25.908 3.43617 1000.5 26.4 26.8 5.6 13 0 8 0 13.165 26.33 3.382 491.5 13.0 13.2 5.6 14 0 6 2 13.585 27.169 3.27943 687.2 18.1 18.4 5.6 15 1 4 1 13.679 27.358 3.25721 297.5 7.8 8.0 5.6 16 1 5 0 13.778 27.556 3.23424 449.1 11.8 12.0 5.6 17 0 8 1 13.981 27.962 3.18822 424.4 11.2 11.4 5.6 18 0 1 3 14.093 28.186 3.16345 1553.0 40.9 41.6 5.6 19 0 2 3 14.385 28.77 3.10051 711.0 18.7 19.0 5.6 20 1 0 2 14.472 28.943 3.08237 3641.9 96.0 97.4 5.6 21 1 5 1 14.562 29.125 3.06353 3224.3 85.0 86.2 5.6 22 0 3 3 14.86 29.721 3.00347 652.2 17.2 17.4 5.6 23 1 3 2 15.313 30.626 2.91672 66.3 1.7 1.8 5.6 24 0 4 3 15.503 31.007 2.88175 231.4 6.1 6.2 5.6 25 0 9 1 15.582 31.163 2.86766 3032.3 79.9 81.0 5.6 26 1 4 2 15.94 31.879 2.80486 449.9 11.9 12.0 5.6 27 1 7 0 16.022 32.043 2.79089 919.7 24.2 24.5 5.6 28 0 8 2 16.203 32.406 2.76044 1170.6 30.8 31.2 5.6 29 0 5 3 16.297 32.593 2.74502 1838.8 48.5 49.0 5.6 30 1 7 1 16.71 33.42 2.67897 787.8 20.8 21.0 5.7 31 0 10 1 17.211 34.422 2.60327 269.5 7.1 7.2 5.7 32 1 6 2 17.62 35.24 2.54468 569.8 15.0 15.2 5.7 33 1 1 3 18.025 36.05 2.48934 848.5 22.4 22.6 5.7 34 1 2 3 18.26 36.521 2.45832 61.7 1.6 1.6 5.7 35 1 3 3 18.647 37.294 2.4091 538.9 14.2 14.3 5.7 36 0 0 4 18.81 37.62 2.38897 53.7 1.4 1.4 5.7 37 0 10 2 19.097 38.195 2.35433 214.9 5.7 5.7 5.7 38 1 9 1 19.242 38.484 2.3373 1362.2 35.9 36.1 5.7 39 0 3 4 19.484 38.969 2.30933 90.5 2.4 2.4 5.7 40 1 8 2 19.762 39.524 2.27814 2340.6 61.7 62.0 5.7 41 1 5 3 19.841 39.682 2.26945 154.8 4.1 4.1 5.7 42 0 4 4 19.996 39.992 2.2526 143.8 3.8 3.8 5.7 43 0 12 1 20.55 41.099 2.19441 617.4 16.3 16.3 5.7 44 1 10 1 20.619 41.238 2.18736 1506.0 39.7 39.8 5.7 45 0 10 3 21.934 43.868 2.06211 532.4 14.0 14.0 5.7 46 1 0 4 22.007 44.015 2.05557 600.2 15.8 15.8 5.7 47 1 11 1 22.058 44.115 2.05112 340.8 9.0 9.0 5.7 48 0 7 4 22.275 44.55 2.03214 3658.0 96.4 96.4 5.7 49 2 0 0 22.45 44.901 2.01705 3794.8 100.0 100.0 5.7 50 1 8 3 22.53 45.059 2.01034 556.4 14.7 14.7 5.7 51 1 3 4 22.603 45.205 2.00417 170.0 4.5 4.5 5.7 52 2 2 0 22.712 45.425 1.995 41.0 1.1 1.1 5.7 53 2 1 1 23.038 46.075 1.96833 84.7 2.2 2.2 5.7 54 0 8 4 23.251 46.502 1.95126 573.7 15.1 15.1 5.7 55 0 11 3 23.308 46.615 1.94679 56.3 1.5 1.5 5.7 56 0 14 0 23.489 46.979 1.93257 309.9 8.2 8.1 5.7 57 1 12 1 23.553 47.105 1.92767 427.2 11.3 11.2 5.7 58 1 5 4 23.632 47.263 1.9216 2894.7 76.3 76.1 5.7 59 0 1 5 23.831 47.662 1.90643 463.0 12.2 12.2 5.7 60 2 4 1 23.99 47.98 1.89457 53.7 1.4 1.4 5.7 61 0 3 5 24.33 48.66 1.86966 778.8 20.5 20.4 5.7 62 2 5 1 24.548 49.095 1.8541 69.9 1.8 1.8 5.7 63 1 13 0 24.611 49.223 1.84959 1241.8 32.7 32.6 5.7 64 0 12 3 24.744 49.488 1.8403 423.1 11.1 11.1 5.7 65 1 10 3 24.804 49.608 1.83613 1512.6 39.9 39.6 5.7 66 2 3 2 25.038 50.077 1.82002 175.0 4.6 4.6 5.7 67 1 7 4 25.114 50.229 1.81488 120.0 3.2 3.1 5.8 68 2 6 1 25.217 50.433 1.80799 158.2 4.2 4.1 5.8 69 0 5 5 25.305 50.61 1.80208 113.9 3.0 3.0 5.8 70 0 10 4 25.476 50.952 1.79079 261.8 6.9 6.9 5.8 71 0 15 1 25.759 51.518 1.77243 118.3 3.1 3.1 5.8 72 0 6 5 25.96 51.92 1.75966 52.1 1.4 1.4 5.8 73 1 8 4 26.009 52.018 1.75657 207.8 5.5 5.4 5.8 74 1 11 3 26.061 52.122 1.7533 42.1 1.1 1.1 5.8 75 0 13 3 26.238 52.477 1.74229 374.8 9.9 9.8 5.8 76 2 8 0 26.401 52.801 1.73235 163.6 4.3 4.3 5.8 77 1 1 5 26.544 53.089 1.72365 521.5 13.7 13.6 5.8 78 2 6 2 26.637 53.274 1.71809 186.6 4.9 4.9 5.8 79 0 7 5 26.719 53.438 1.71319 172.6 4.5 4.5 5.8 80 2 8 1 26.865 53.73 1.70456 138.2 3.6 3.6 5.8 81 2 1 3 26.93 53.861 1.70075 515.6 13.6 13.4 5.8 82 1 3 5 27.006 54.012 1.69633 215.5 5.7 5.6 5.8 83 2 2 3 27.102 54.205 1.69075 288.4 7.6 7.5 5.8 84 1 4 5 27.406 54.812 1.67346 469.3 12.4 12.2 5.8 85 2 4 3 27.784 55.568 1.65248 175.3 4.6 4.6 5.8 86 2 9 1 27.833 55.665 1.64981 696.6 18.4 18.1 5.8 87 1 5 5 27.914 55.828 1.64538 200.2 5.3 5.2 5.8 88 1 14 2 28.063 56.126 1.63736 113.9 3.0 3.0 5.8 89 2 8 2 28.227 56.454 1.6286 500.9 13.2 13.0 5.8 90 2 5 3 28.288 56.575 1.62542 766.5 20.2 19.9 5.8 91 1 15 1 28.339 56.678 1.62272 48.3 1.3 1.3 5.8 92 0 9 5 28.528 57.056 1.61284 137.8 3.6 3.6 5.8 93 1 13 3 28.789 57.577 1.59949 87.6 2.3 2.3 5.8 94 0 16 2 28.895 57.79 1.59411 233.9 6.2 6.1 5.8 95 0 2 6 29.143 58.285 1.58173 170.0 4.5 4.4 5.8 96 1 11 4 29.233 58.466 1.57728 478.3 12.6 12.4 5.8 97 0 17 1 29.384 58.767 1.5699 133.3 3.5 3.5 5.8 98 0 3 6 29.415 58.83 1.56838 89.4 2.4 2.3 5.8 99 1 8 5 30.051 60.102 1.53818 284.5 7.5 7.4 5.8 100 2 10 2 30.19 60.38 1.53176 115.2 3.0 3.0 5.8 101 1 14 3 30.251 60.502 1.52898 153.2 4.0 4.0 5.8 102 2 3 4 30.467 60.934 1.51916 69.1 1.8 1.8 5.8 103 0 11 5 30.691 61.382 1.50915 195.8 5.2 5.1 5.8 104 0 14 4 30.842 61.683 1.5025 658.6 17.4 17.0 5.8 105 2 12 1 31.245 62.49 1.48502 407.6 10.7 10.5 5.8 106 1 16 2 31.303 62.606 1.48255 371.9 9.8 9.6 5.8 107 1 1 6 31.383 62.766 1.47917 45.2 1.2 1.2 5.9 108 1 17 1 31.769 63.538 1.46303 178.7 4.7 4.6 5.9 109 1 3 6 31.799 63.598 1.46179 213.4 5.6 5.5 5.9 110 0 12 5 31.894 63.788 1.45789 66.4 1.7 1.7 5.9 111 1 10 5 31.945 63.89 1.45582 328.4 8.7 8.4 5.9 112 1 4 6 32.161 64.322 1.44708 70.5 1.9 1.8 5.9 113 2 10 3 32.29 64.579 1.44194 384.7 10.1 9.9 5.9 114 0 15 4 32.351 64.701 1.43951 144.3 3.8 3.7 5.9 115 2 7 4 32.552 65.104 1.43158 118.5 3.1 3.0 5.9 116 1 5 6 32.623 65.246 1.42881 70.5 1.9 1.8 5.9 117 0 9 6 33.184 66.368 1.40735 247.0 6.5 6.3 5.9 118 2 8 4 33.315 66.631 1.40243 389.5 10.3 10.0 5.9 119 2 11 3 33.36 66.72 1.40077 40.8 1.1 1.0 5.9 120 2 14 0 33.504 67.008 1.39544 211.1 5.6 5.4 5.9 121 1 18 1 33.558 67.116 1.39346 166.0 4.4 4.2 5.9 122 2 1 5 33.777 67.553 1.38551 326.4 8.6 8.3 5.9 123 1 7 6 33.839 67.677 1.38326 53.2 1.4 1.4 5.9 124 2 2 5 33.927 67.854 1.38009 41.5 1.1 1.1 5.9 125 0 10 6 34.14 68.28 1.37251 98.6 2.6 2.5 5.9 126 1 12 5 34.18 68.36 1.3711 578.1 15.2 14.7 5.9 127 0 19 2 34.363 68.727 1.36468 44.9 1.2 1.1 5.9 128 2 12 3 34.513 69.026 1.35949 260.6 6.9 6.6 5.9 129 0 2 7 34.55 69.099 1.35823 83.0 2.2 2.1 5.9 130 1 8 6 34.588 69.176 1.35692 128.6 3.4 3.3 5.9 131 1 15 4 34.621 69.242 1.35578 91.5 2.4 2.3 5.9 132 1 18 2 34.76 69.52 1.35103 195.2 5.1 5.0 5.9 133 0 3 7 34.798 69.596 1.34975 66.6 1.8 1.7 5.9 134 2 5 5 34.973 69.945 1.34386 87.3 2.3 2.2 5.9 135 1 17 3 35.012 70.023 1.34255 416.7 11.0 10.6 5.9 136 2 10 4 35.113 70.227 1.33916 201.7 5.3 5.1 5.9 137 0 11 6 35.183 70.365 1.33686 58.6 1.5 1.5 5.9 138 2 15 1 35.348 70.695 1.33143 90.1 2.4 2.3 5.9 139 1 9 6 35.428 70.856 1.32881 52.8 1.4 1.3 5.9 140 3 2 1 35.54 71.079 1.32518 137.1 3.6 3.5 5.9 141 0 5 7 35.587 71.173 1.32366 44.8 1.2 1.1 5.9 142 2 13 3 35.747 71.494 1.31851 296.2 7.8 7.5 5.9 143 3 3 1 35.785 71.569 1.3173 55.8 1.5 1.4 5.9 144 2 7 5 36.151 72.301 1.30576 204.0 5.4 5.2 5.9 145 3 0 2 36.518 73.037 1.29441 291.9 7.7 7.4 6.0 146 3 5 1 36.565 73.129 1.29301 263.1 6.9 6.7 6.0 147 1 1 7 36.61 73.22 1.29162 310.0 8.2 7.8 6.0 148 1 14 5 36.736 73.473 1.28781 306.2 8.1 7.7 6.0 149 2 14 3 37.059 74.119 1.27817 68.3 1.8 1.7 6.0 150 0 21 1 37.105 74.21 1.27683 246.2 6.5 6.2 6.0 151 1 20 1 37.297 74.594 1.2712 138.9 3.7 3.5 6.0 152 3 7 0 37.337 74.674 1.27003 150.0 4.0 3.8 6.0 153 2 9 5 37.698 75.396 1.25966 190.9 5.0 4.8 6.0 154 1 5 7 37.767 75.535 1.25769 127.4 3.4 3.2 6.0 155 2 16 2 38.017 76.033 1.25067 100.3 2.6 2.5 6.0 156 1 15 5 38.132 76.263 1.24748 75.9 2.0 1.9 6.0 157 2 2 6 38.233 76.466 1.24467 343.4 9.0 8.6 6.0 158 1 6 7 38.294 76.588 1.243 52.3 1.4 1.3 6.0 159 2 17 1 38.444 76.889 1.23888 206.4 5.4 5.2 6.0 160 1 19 3 38.501 77.002 1.23734 316.5 8.3 7.9 6.0 161 0 22 0 38.78 77.561 1.22982 82.9 2.2 2.1 6.0 162 3 3 3 38.875 77.749 1.22731 127.8 3.4 3.2 6.0 163 0 17 5 39.037 78.075 1.223 139.2 3.7 3.5 6.0 164 0 22 1 39.161 78.322 1.21976 55.5 1.5 1.4 6.0 165 3 9 1 39.248 78.496 1.21749 217.1 5.7 5.4 6.0 166 1 18 4 39.409 78.818 1.21333 63.4 1.7 1.6 6.0 167 3 8 2 39.582 79.163 1.20889 631.5 16.6 15.8 6.0 168 1 8 7 39.624 79.247 1.20782 118.6 3.1 3.0 6.0 169 2 18 0 39.725 79.449 1.20526 560.6 14.8 14.0 6.0 170 2 18 1 40.103 80.206 1.19578 39.8 1.0 1.0 6.0 171 3 10 1 40.146 80.291 1.19473 179.2 4.7 4.5 6.0 172 0 15 6 40.181 80.361 1.19386 129.3 3.4 3.2 6.0 173 1 20 3 40.347 80.694 1.18977 211.5 5.6 5.3 6.1 174 1 21 2 40.39 80.781 1.18872 41.5 1.1 1.0 6.1 175 1 9 7 40.425 80.851 1.18787 309.8 8.2 7.7 6.1 176 2 12 5 40.686 81.372 1.18157 66.3 1.7 1.6 6.1 177 1 14 6 40.932 81.864 1.17571 181.7 4.8 4.5 6.1 178 2 15 4 41.101 82.203 1.17172 291.4 7.7 7.2 6.1 179 1 17 5 41.158 82.316 1.1704 326.6 8.6 8.1 6.1 180 3 2 4 41.285 82.569 1.16745 593.8 15.6 14.7 6.1 181 0 5 8 41.329 82.659 1.16641 50.8 1.3 1.3 6.1 182 3 8 3 41.466 82.933 1.16325 121.1 3.2 3.0 6.1 183 2 9 6 41.866 83.731 1.15418 241.6 6.4 6.0 6.1 184 3 12 1 42.208 84.416 1.14655 81.8 2.2 2.0 6.1 185 3 5 4 42.266 84.532 1.14527 832.4 21.9 20.5 6.1 186 1 22 2 42.404 84.807 1.14226 373.1 9.8 9.2 6.1 187 0 7 8 42.451 84.901 1.14123 341.0 9.0 8.4 6.1 188 2 10 6 42.752 85.504 1.13473 133.1 3.5 3.3 6.1 189 2 19 2 42.96 85.92 1.13029 51.6 1.4 1.3 6.1 190 1 23 0 43.006 86.012 1.12931 268.0 7.1 6.6 6.1 191 3 10 3 43.146 86.292 1.12637 524.2 13.8 12.9 6.1 192 1 23 1 43.379 86.759 1.12151 225.3 5.9 5.5 6.1 193 2 11 6 43.729 87.458 1.11433 68.2 1.8 1.7 6.2 194 1 6 8 43.939 87.878 1.11009 141.7 3.7 3.5 6.2 195 2 5 7 44.111 88.222 1.10665 76.4 2.0 1.9 6.2 196 0 23 3 44.269 88.539 1.1035 115.5 3.0 2.8 6.2 197 3 13 2 44.49 88.98 1.09917 63.7 1.7 1.6 6.2 198 1 13 7 44.531 89.063 1.09836 251.4 6.6 6.1 6.2 199 0 24 2 44.591 89.181 1.09721 58.3 1.5 1.4 6.2 200 0 22 4 44.786 89.571 1.09344 40.0 1.1 1.0 6.2 201 3 3 5 44.878 89.755 1.09167 53.1 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) |