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 *** *********************** ANILITE 1, s-chalcosine Cu(7)S(4) Orthorhombic P nma Z = 4 Pnma 25 .4 .1988 Ref.Str.: Koto K., Morimoto N. (1970) * Acta Cryst., 826, 915-924 Initial data from BDM-file Lattice parameters (cub. angs.,degr.): a = 7.89 alpha = 90.0 b = 7.84 beta = 90.0 c = 11.01 gamma = 90.0 Unit cell volume (cub. angs.) = 681.05 Molar volume ( cub.cm/mol.) = 102.56 Co-ordinates, thermal parameters, occupation for atomic positions: NoP x/a y/b z/c B(j) atom / occupation 1 0.246 0.25 0.9873 0.25 S = 1.00 2 0.785 0.25 0.9841 0.41 S = 1.00 3 0.9988 0.998 0.2611 0.31 S = 1.00 4 0.4832 0.75 0.0942 0.94 Cu = 1.00 5 0.4258 0.25 0.3335 0.77 Cu = 1.00 6 0.479 0.75 0.3545 0.74 Cu = 1.00 7 0.2371 0.4303 0.1553 1.35 Cu = 1.00 8 0.177 0.4767 0.4186 1.52 Cu = 1.00 Co-ordinates for all atomic positions : No NoP x/a y/b z/c 1 1 0.246 0.25 0.9873 2 2 0.785 0.25 0.9841 3 3 0.9988 0.998 0.2611 4 4 0.4832 0.75 0.0942 5 5 0.4258 0.25 0.3335 6 6 0.479 0.75 0.3545 7 7 0.2371 0.4303 0.1553 8 8 0.177 0.4767 0.4186 9 1 0.254 0.75 0.4873 10 2 0.715 0.75 0.4841 11 3 0.5012 0.002 0.7611 12 4 0.0168 0.25 0.5942 13 5 0.0742 0.75 0.8335 14 6 0.021 0.25 0.8545 15 7 0.2629 0.5697 0.6553 16 8 0.323 0.5233 0.9186 17 3 0.5012 0.498 0.7611 18 7 0.2629 0.9303 0.6553 19 8 0.323 0.9767 0.9186 20 3 0.9988 0.502 0.2611 21 7 0.2371 0.0697 0.1553 22 8 0.177 0.0233 0.4186 23 1 0.746 0.25 0.5127 24 2 0.285 0.25 0.5159 25 3 0.4988 0.998 0.2389 26 4 0.9832 0.75 0.4058 27 5 0.9258 0.25 0.1665 28 6 0.979 0.75 0.1455 29 7 0.7371 0.4303 0.3447 30 8 0.677 0.4767 0.0814 31 1 0.754 0.75 0.0127 32 2 0.215 0.75 0.0159 33 3 0.0012 0.002 0.7389 34 4 0.5168 0.25 0.9058 35 5 0.5742 0.75 0.6665 36 6 0.521 0.25 0.6455 37 7 0.7629 0.5697 0.8447 38 8 0.823 0.5233 0.5814 39 3 0.0012 0.498 0.7389 40 7 0.7629 0.9303 0.8447 41 8 0.823 0.9767 0.5814 42 3 0.4988 0.502 0.2389 43 7 0.7371 0.0697 0.3447 44 8 0.677 0.0233 0.0814 X-ray density (g/cm cub.) = 5.59 MU (1/cm) = 340.82 Mass attenuation coefficient (cm**2/g) = 61.001 Selected interatomic distances (cation-anion,anion-anion): NoP Atom Rad.sph. C.N. Distance NoP N. (angs.) (angs.) 1 S 4.368 12 4.2529 2 3.6375 2 4.0982 3 3.7466 3 3.7466 3 4.0982 3 3.944 3 3.9402 2 3.9402 2 3.8718 3 3.8718 3 3.944 3 2 S 4.368 12 3.6375 1 4.2529 1 4.0062 3 3.85 3 3.85 3 4.0062 3 4.1076 3 3.9402 1 3.9402 1 3.7388 3 3.7388 3 4.1076 3 3 S 4.368 12 4.0982 1 4.0062 2 3.7466 1 3.85 2 3.9514 3 3.8886 3 3.944 1 4.1076 2 3.9526 3 3.9526 3 3.8718 1 3.7388 2 4 Cu 3.36 4 2.5167 3 2.3174 1 2.285 2 2.5167 3 5 Cu 3.36 4 3.2055 1 2.295 2 2.3065 3 2.3065 3 6 Cu 3.36 4 2.2999 1 2.3459 2 2.3291 3 2.3291 3 7 Cu 3.36 4 2.329 1 2.2821 3 2.9442 2 2.3295 3 8 Cu 3.36 4 2.3521 1 2.2412 3 2.2434 2 3.225 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 6.898 13.797 0.078 135.68 4 40.5 192.3 2 0 1 1 6.928 13.855 0.078 134.52 4 24.8 71.4 3 0 0 2 8.043 16.087 0.091 99.21 2 9.1 3.5 4 1 1 1 8.927 17.854 0.101 80.13 8 2.8 1.1 5 1 0 2 9.824 19.647 0.111 65.79 4 7.9 3.5 6 2 0 0 11.26 22.519 0.127 49.57 2 56.0 67.1 7 0 2 0 11.332 22.665 0.128 48.9 2 16.1 5.4 8 1 1 2 11.355 22.709 0.128 48.7 8 65.6 361.0 9 2 0 1 11.971 23.941 0.135 43.61 4 1.7 0.1 10 2 1 0 12.626 25.251 0.142 38.99 4 16.7 9.3 11 2 1 1 13.268 26.536 0.149 35.12 8 143.1 1240.6 12 1 2 1 13.315 26.629 0.149 34.86 8 106.3 679.3 13 1 0 3 13.384 26.768 0.15 34.48 4 139.3 577.3 14 0 1 3 13.4 26.799 0.15 34.39 4 112.2 373.6 15 2 0 2 13.899 27.798 0.156 31.82 4 201.9 1118.5 16 0 2 2 13.959 27.918 0.157 31.53 4 114.5 356.4 17 1 1 3 14.564 29.129 0.163 28.81 8 42.7 90.6 18 2 1 2 15.042 30.084 0.168 26.88 8 27.3 34.4 19 1 2 2 15.084 30.168 0.169 26.72 8 12.6 7.4 20 2 2 0 16.082 32.164 0.18 23.28 4 270.3 1466.4 21 0 0 4 16.251 32.502 0.182 22.76 2 227.7 509.0 22 2 2 1 16.601 33.203 0.185 21.73 8 173.0 1121.2 23 2 0 3 16.658 33.317 0.186 21.57 4 126.9 299.8 24 1 0 4 17.241 34.482 0.192 20.02 4 213.9 789.8 25 3 0 1 17.525 35.05 0.195 19.32 4 77.5 100.1 26 0 3 1 17.634 35.268 0.197 19.06 4 227.6 851.5 27 2 1 3 17.64 35.28 0.197 19.04 8 127.7 536.0 28 1 2 3 17.676 35.352 0.197 18.96 8 142.6 664.6 29 2 2 2 18.08 36.16 0.201 18.04 8 0.6 0.0 30 1 1 4 18.195 36.389 0.203 17.79 8 18.1 10.0 31 3 1 1 18.466 36.932 0.206 17.22 8 91.9 250.9 32 1 3 1 18.559 37.118 0.207 17.03 8 56.1 92.6 33 3 0 2 18.941 37.881 0.211 16.29 4 211.8 630.1 34 3 1 2 19.824 39.648 0.22 14.72 8 21.7 11.9 35 1 3 2 19.912 39.823 0.221 14.58 8 76.4 146.8 36 2 0 4 19.952 39.904 0.221 14.51 4 14.0 2.4 37 0 2 4 19.995 39.991 0.222 14.44 4 32.1 12.8 38 2 2 3 20.337 40.675 0.226 13.91 8 155.0 576.1 39 2 3 0 20.705 41.41 0.229 13.36 4 127.7 187.8 40 2 1 4 20.799 41.598 0.23 13.23 8 29.1 19.3 41 1 2 4 20.831 41.662 0.231 13.18 8 250.1 1421.7 42 3 2 1 21.073 42.147 0.233 12.85 8 155.6 536.7 43 3 0 3 21.12 42.24 0.234 12.78 4 36.6 14.8 44 2 3 1 21.125 42.251 0.234 12.78 8 95.3 200.0 45 0 3 3 21.213 42.427 0.235 12.66 4 247.1 666.4 46 1 0 5 21.295 42.591 0.236 12.55 4 153.4 254.8 47 0 1 5 21.306 42.612 0.236 12.53 4 98.4 104.6 48 3 1 3 21.93 43.86 0.242 11.75 8 116.6 275.5 49 1 3 3 22.011 44.022 0.243 11.65 8 189.3 720.2 50 1 1 5 22.1 44.201 0.244 11.54 8 20.5 8.3 51 3 2 2 22.299 44.597 0.246 11.31 8 11.2 2.5 52 2 3 2 22.348 44.697 0.247 11.26 8 1.2 0.0 53 4 0 0 22.986 45.972 0.253 10.56 2 381.3 662.1 54 0 4 0 23.141 46.283 0.255 10.4 2 514.1 1185.9 55 2 2 4 23.189 46.378 0.256 10.36 8 417.3 3111.0 56 4 0 1 23.374 46.747 0.258 10.17 4 244.1 522.9 57 2 0 5 23.617 47.233 0.26 9.94 4 126.4 136.9 58 4 1 0 23.746 47.492 0.261 9.81 4 21.6 3.9 59 3 0 4 23.897 47.793 0.263 9.67 4 237.7 471.5 60 4 1 1 24.124 48.248 0.265 9.47 8 75.6 93.2 61 3 2 3 24.231 48.462 0.266 9.37 8 139.5 314.5 62 1 4 1 24.264 48.528 0.267 9.34 8 28.0 12.6 63 2 3 3 24.278 48.556 0.267 9.33 8 19.6 6.2 64 2 1 5 24.361 48.722 0.268 9.26 8 110.3 194.2 65 1 2 5 24.389 48.778 0.268 9.24 8 82.7 108.9 66 4 0 2 24.508 49.016 0.269 9.13 4 69.3 37.9 67 3 1 4 24.635 49.269 0.271 9.03 8 119.5 222.5 68 0 4 2 24.656 49.312 0.271 9.01 4 46.1 16.5 69 1 3 4 24.708 49.417 0.271 8.97 8 64.7 64.8 70 0 0 6 24.82 49.64 0.272 8.87 2 48.6 9.0 71 3 3 1 24.921 49.842 0.274 8.79 8 20.9 6.6 72 4 1 2 25.233 50.466 0.277 8.55 8 62.0 56.6 73 1 4 2 25.368 50.737 0.278 8.44 8 156.0 354.4 74 1 0 6 25.529 51.059 0.28 8.32 4 65.9 31.2 75 4 2 0 25.923 51.846 0.284 8.04 4 49.4 16.9 76 3 3 2 26.005 52.01 0.285 7.98 8 6.3 0.5 77 2 4 0 26.029 52.059 0.285 7.96 4 156.9 169.0 78 1 1 6 26.234 52.467 0.287 7.82 8 17.7 4.2 79 4 2 1 26.278 52.556 0.287 7.79 8 22.7 6.9 80 4 0 3 26.317 52.634 0.288 7.77 4 207.6 288.6 81 2 4 1 26.383 52.767 0.288 7.72 8 35.9 17.2 82 2 2 5 26.501 53.002 0.29 7.64 8 33.7 15.0 83 3 2 4 26.758 53.517 0.292 7.48 8 11.2 1.6 84 2 3 4 26.802 53.604 0.293 7.45 8 29.6 11.2 85 4 1 3 27.007 54.013 0.295 7.32 8 103.5 135.2 86 1 4 3 27.136 54.272 0.296 7.24 8 102.7 131.7 87 3 0 5 27.144 54.288 0.296 7.24 4 104.9 68.7 88 0 3 5 27.222 54.443 0.297 7.19 4 74.4 34.3 89 4 2 2 27.323 54.646 0.298 7.13 8 204.7 515.3 90 2 4 2 27.426 54.852 0.299 7.07 8 203.3 503.9 91 2 0 6 27.578 55.157 0.301 6.98 4 140.4 118.7 92 0 2 6 27.612 55.225 0.301 6.96 4 244.1 357.8 93 3 3 3 27.744 55.488 0.302 6.89 8 90.3 96.8 94 3 1 5 27.82 55.639 0.303 6.85 8 40.8 19.7 95 1 3 5 27.887 55.775 0.304 6.81 8 77.6 70.7 96 2 1 6 28.247 56.494 0.307 6.61 8 80.9 74.7 97 1 2 6 28.272 56.544 0.307 6.6 8 54.8 34.1 98 4 0 4 28.713 57.427 0.312 6.37 4 54.5 16.3 99 0 4 4 28.846 57.692 0.313 6.31 4 59.0 18.9 100 4 2 3 29.008 58.016 0.315 6.23 8 82.4 72.9 101 2 4 3 29.107 58.214 0.316 6.18 8 74.2 58.7 102 4 3 0 29.292 58.584 0.318 6.09 4 121.4 77.4 103 4 1 4 29.365 58.73 0.318 6.06 8 25.9 7.0 104 1 4 4 29.488 58.975 0.32 6.0 8 33.7 11.7 105 5 0 1 29.546 59.092 0.32 5.97 4 72.2 26.9 106 4 3 1 29.619 59.239 0.321 5.94 8 210.9 455.9 107 3 4 1 29.676 59.353 0.321 5.92 8 64.7 42.7 108 0 5 1 29.749 59.499 0.322 5.88 4 94.5 45.3 109 3 2 5 29.785 59.57 0.322 5.87 8 180.9 331.3 110 2 3 5 29.826 59.651 0.323 5.85 8 62.0 38.7 111 1 0 7 29.958 59.917 0.324 5.79 4 252.0 317.1 112 0 1 7 29.966 59.933 0.324 5.79 4 100.2 50.1 113 3 3 4 30.064 60.129 0.325 5.75 8 7.8 0.6 114 5 1 1 30.187 60.373 0.326 5.69 8 31.7 9.8 115 2 2 6 30.194 60.389 0.326 5.69 8 36.7 13.2 116 1 5 1 30.379 60.758 0.328 5.61 8 23.8 5.5 117 5 0 2 30.517 61.034 0.33 5.56 4 137.2 90.3 118 4 3 2 30.589 61.178 0.33 5.53 8 72.8 50.6 119 1 1 7 30.593 61.187 0.33 5.53 8 67.3 43.2 120 3 4 2 30.645 61.289 0.331 5.51 8 28.3 7.6 121 3 0 6 30.787 61.574 0.332 5.45 4 71.1 23.7 122 5 1 2 31.145 62.291 0.336 5.31 8 40.3 14.9 123 4 2 4 31.269 62.539 0.337 5.27 8 59.9 32.5 124 1 5 2 31.335 62.669 0.338 5.24 8 25.8 6.0 125 2 4 4 31.364 62.727 0.338 5.23 8 115.3 120.0 126 3 1 6 31.412 62.824 0.338 5.21 8 41.7 15.6 127 1 3 6 31.475 62.95 0.339 5.19 8 23.9 5.1 128 4 0 5 31.619 63.239 0.34 5.14 4 50.2 11.2 129 2 0 7 31.818 63.636 0.342 5.07 4 64.0 17.9 130 2 5 0 31.913 63.826 0.343 5.04 4 51.3 11.4 131 5 2 1 32.062 64.124 0.345 4.99 8 61.6 32.6 132 5 0 3 32.097 64.193 0.345 4.97 4 0.6 0.0 133 4 3 3 32.166 64.333 0.346 4.95 8 115.8 114.5 134 3 4 3 32.221 64.441 0.346 4.93 8 69.9 41.6 135 2 5 1 32.225 64.449 0.346 4.93 8 170.6 247.5 136 4 1 5 32.236 64.471 0.346 4.93 8 11.9 1.2 137 0 5 3 32.29 64.58 0.347 4.91 4 0.4 0.0 138 1 4 5 32.352 64.703 0.347 4.89 8 114.7 110.9 139 2 1 7 32.432 64.864 0.348 4.86 8 100.5 84.8 140 1 2 7 32.455 64.91 0.348 4.86 8 59.4 29.6 141 5 1 3 32.708 65.416 0.351 4.77 8 13.5 1.5 142 1 5 3 32.892 65.784 0.353 4.72 8 81.0 53.4 143 3 3 5 32.899 65.798 0.353 4.72 8 4.2 0.1 144 5 2 2 32.99 65.98 0.353 4.69 8 199.1 320.4 145 2 5 2 33.15 66.3 0.355 4.64 8 46.1 17.0 146 3 2 6 33.248 66.497 0.356 4.61 8 24.0 4.6 147 2 3 6 33.286 66.573 0.356 4.6 8 42.5 14.3 148 4 4 0 33.644 67.288 0.36 4.5 4 173.3 116.5 149 4 4 1 33.947 67.894 0.362 4.41 8 149.1 169.3 150 0 0 8 34.035 68.069 0.363 4.39 2 41.2 3.2 151 4 2 5 34.048 68.096 0.363 4.39 8 117.2 103.9 152 2 4 5 34.138 68.277 0.364 4.36 8 118.6 105.8 153 2 2 7 34.239 68.479 0.365 4.34 8 2.6 0.0 154 5 0 4 34.24 68.481 0.365 4.33 4 75.5 21.3 155 4 3 4 34.308 68.616 0.366 4.32 8 49.3 18.1 156 3 4 4 34.36 68.721 0.366 4.3 8 89.3 59.3 157 5 2 3 34.508 69.015 0.368 4.27 8 61.6 27.9 158 1 0 8 34.621 69.242 0.369 4.24 4 178.3 116.2 159 2 5 3 34.665 69.329 0.369 4.23 8 142.0 146.9 160 3 0 7 34.794 69.588 0.37 4.19 4 19.2 1.3 161 5 1 4 34.832 69.665 0.371 4.19 8 68.8 34.2 162 4 4 2 34.85 69.699 0.371 4.18 8 0.2 0.0 163 0 3 7 34.861 69.722 0.371 4.18 4 25.9 2.4 164 4 0 6 34.983 69.965 0.372 4.15 4 93.1 31.0 165 1 5 4 35.011 70.022 0.372 4.14 8 15.1 1.6 166 5 3 1 35.065 70.129 0.373 4.13 8 102.1 74.2 167 0 4 6 35.102 70.203 0.373 4.12 4 71.6 18.2 168 3 5 1 35.183 70.367 0.374 4.1 8 84.0 49.9 169 1 1 8 35.21 70.42 0.374 4.1 8 66.5 31.2 170 3 1 7 35.382 70.764 0.376 4.06 8 52.0 18.9 171 1 3 7 35.441 70.883 0.376 4.04 8 143.9 144.5 172 4 1 6 35.569 71.138 0.378 4.01 8 46.6 15.0 173 1 4 6 35.68 71.36 0.379 3.99 8 9.2 0.6 174 6 0 0 35.857 71.714 0.38 3.95 2 63.7 6.9 175 5 3 2 35.954 71.909 0.381 3.93 8 56.8 21.8 176 3 5 2 36.072 72.144 0.382 3.9 8 57.1 21.9 177 0 6 0 36.122 72.243 0.383 3.89 2 230.1 88.9 178 6 0 1 36.152 72.304 0.383 3.89 4 9.4 0.3 179 3 3 6 36.203 72.406 0.383 3.88 8 15.1 1.5 180 4 4 3 36.331 72.662 0.385 3.85 8 138.5 127.3 181 2 0 8 36.354 72.708 0.385 3.85 4 60.1 12.0 182 0 2 8 36.383 72.767 0.385 3.84 4 59.4 11.7 183 6 1 0 36.438 72.875 0.386 3.83 4 68.8 15.6 184 5 2 4 36.583 73.167 0.387 3.8 8 63.3 26.3 185 6 1 1 36.731 73.461 0.388 3.77 8 147.4 141.3 186 2 5 4 36.736 73.473 0.388 3.77 8 48.9 15.6 187 5 0 5 36.908 73.817 0.39 3.74 4 112.8 41.0 188 2 1 8 36.932 73.863 0.39 3.73 8 19.8 2.5 189 1 2 8 36.954 73.907 0.39 3.73 8 196.2 247.5 190 4 3 5 36.974 73.948 0.39 3.72 8 159.3 163.1 191 1 6 1 36.985 73.971 0.391 3.72 8 62.3 24.9 192 3 4 5 37.025 74.049 0.391 3.72 8 62.9 25.3 193 6 0 2 37.031 74.062 0.391 3.71 4 33.4 3.6 194 0 5 5 37.09 74.18 0.391 3.7 4 87.8 24.6 195 3 2 7 37.122 74.244 0.392 3.7 8 168.3 180.6 196 2 3 7 37.158 74.317 0.392 3.69 8 158.8 160.6 197 0 6 2 37.292 74.584 0.393 3.67 4 21.2 1.4 198 4 2 6 37.306 74.611 0.393 3.66 8 25.9 4.2 199 2 4 6 37.393 74.785 0.394 3.65 8 4.6 0.1 200 5 3 3 37.418 74.836 0.394 3.64 8 136.6 117.2 201 5 1 5 37.483 74.965 0.395 3.63 8 17.4 1.9 202 3 5 3 37.534 75.067 0.395 3.62 8 130.3 106.0 203 6 1 2 37.604 75.209 0.396 3.61 8 16.9 1.8 204 1 5 5 37.656 75.312 0.397 3.6 8 67.4 28.2 205 1 6 2 37.857 75.714 0.398 3.57 8 125.1 96.2 206 6 2 0 38.159 76.318 0.401 3.52 4 100.4 30.6 207 4 4 4 38.367 76.734 0.403 3.48 8 53.3 17.0 208 2 6 0 38.389 76.778 0.403 3.48 4 15.8 0.8 209 6 2 1 38.447 76.894 0.404 3.47 8 119.4 85.4 210 6 0 3 38.479 76.959 0.404 3.47 4 11.0 0.4 211 2 2 8 38.645 77.29 0.405 3.44 8 117.2 81.6 212 2 6 1 38.677 77.353 0.406 3.44 8 77.3 35.4 213 4 0 7 38.783 77.565 0.407 3.42 4 19.8 1.2 214 4 5 0 38.87 77.74 0.407 3.41 4 85.4 21.4 215 6 1 3 39.046 78.091 0.409 3.38 8 50.0 14.6 216 5 4 1 39.092 78.185 0.409 3.38 8 74.3 32.2 217 4 5 1 39.157 78.313 0.41 3.37 8 35.1 7.1 218 3 0 8 39.175 78.351 0.41 3.36 4 222.6 143.8 219 5 2 5 39.188 78.376 0.41 3.36 8 0.3 0.0 220 1 6 3 39.295 78.591 0.411 3.35 8 114.4 75.5 221 6 2 2 39.308 78.616 0.411 3.35 8 15.3 1.4 222 2 5 5 39.338 78.676 0.411 3.34 8 104.4 62.8 223 4 1 7 39.348 78.696 0.412 3.34 8 22.6 2.9 224 5 3 4 39.434 78.869 0.412 3.33 8 149.5 128.3 225 1 4 7 39.455 78.909 0.412 3.33 8 193.6 215.0 226 2 6 2 39.536 79.072 0.413 3.31 8 50.3 14.5 227 3 5 4 39.548 79.096 0.413 3.31 8 146.7 122.9 228 1 0 9 39.582 79.164 0.414 3.31 4 147.3 61.9 229 0 1 9 39.589 79.178 0.414 3.31 4 40.1 4.6 230 3 1 8 39.739 79.478 0.415 3.29 8 108.4 66.6 231 1 3 8 39.796 79.591 0.415 3.28 8 94.8 50.9 232 5 4 2 39.949 79.899 0.417 3.26 8 15.7 1.4 233 3 3 7 39.96 79.921 0.417 3.26 8 93.6 49.3 234 4 5 2 40.013 80.026 0.417 3.25 8 24.6 3.4 235 5 0 6 40.076 80.152 0.418 3.25 4 27.5 2.1 236 4 3 6 40.14 80.28 0.418 3.24 8 57.0 18.1 237 1 1 9 40.144 80.288 0.418 3.24 8 10.2 0.6 238 3 4 6 40.19 80.379 0.419 3.23 8 4.6 0.1 239 6 0 4 40.48 80.96 0.421 3.2 4 5.0 0.1 240 5 1 6 40.637 81.273 0.423 3.18 8 10.3 0.6 241 6 2 3 40.732 81.464 0.424 3.17 8 93.0 47.3 242 0 6 4 40.734 81.469 0.424 3.17 4 167.3 76.5 243 1 5 6 40.806 81.612 0.424 3.16 8 12.1 0.8 244 4 4 5 40.936 81.873 0.425 3.15 8 12.0 0.8 245 2 6 3 40.958 81.916 0.425 3.14 8 66.9 24.3 246 6 3 0 40.976 81.952 0.426 3.14 4 33.0 3.0 247 4 2 7 41.031 82.062 0.426 3.13 8 78.4 33.2 248 6 1 4 41.039 82.078 0.426 3.13 8 93.2 47.0 249 2 4 7 41.116 82.231 0.427 3.13 8 57.1 17.6 250 2 0 9 41.242 82.483 0.428 3.11 4 70.3 13.2 251 6 3 1 41.259 82.518 0.428 3.11 8 47.7 12.2 252 1 6 4 41.286 82.572 0.428 3.11 8 22.2 2.6 253 5 4 3 41.368 82.736 0.429 3.1 8 54.1 15.7 254 3 2 8 41.418 82.837 0.429 3.09 8 4.8 0.1 255 4 5 3 41.431 82.863 0.43 3.09 8 82.5 36.3 256 3 6 1 41.449 82.898 0.43 3.09 8 93.3 46.4 257 2 3 8 41.454 82.907 0.43 3.09 8 44.8 10.7 258 2 1 9 41.799 83.598 0.433 3.06 8 14.7 1.1 259 1 2 9 41.82 83.64 0.433 3.06 8 69.8 25.7 260 5 3 5 41.988 83.975 0.434 3.04 8 26.6 3.7 261 3 5 5 42.1 84.2 0.435 3.03 8 47.5 11.8 262 6 3 2 42.106 84.212 0.435 3.03 8 1.8 0.0 263 3 6 2 42.296 84.591 0.437 3.01 8 151.4 119.1 264 5 2 6 42.309 84.617 0.437 3.01 8 29.2 4.4 265 2 5 6 42.456 84.912 0.438 3.0 8 98.7 50.4 266 6 2 4 42.708 85.417 0.44 2.98 8 134.8 93.3 267 2 6 4 42.933 85.865 0.442 2.96 8 169.0 145.8 268 6 0 5 43.021 86.042 0.443 2.95 4 34.9 3.1 269 4 0 8 43.036 86.073 0.443 2.95 4 142.7 51.9 270 0 4 8 43.148 86.297 0.444 2.94 4 46.7 5.5 271 5 4 4 43.34 86.68 0.446 2.93 8 130.9 86.5 272 7 0 1 43.39 86.78 0.446 2.93 4 117.4 34.8 273 4 5 4 43.403 86.806 0.446 2.92 8 52.8 14.1 274 2 2 9 43.464 86.928 0.447 2.92 8 73.8 27.4 275 6 3 3 43.512 87.025 0.447 2.92 8 74.4 27.8 276 6 1 5 43.575 87.15 0.447 2.91 8 140.1 98.6 277 4 1 8 43.59 87.181 0.448 2.91 8 63.8 20.4 278 1 4 8 43.695 87.391 0.448 2.9 8 9.2 0.4 279 3 6 3 43.701 87.403 0.448 2.9 8 61.0 18.6 280 0 7 1 43.733 87.466 0.449 2.9 4 75.7 14.3 281 5 0 7 43.746 87.491 0.449 2.9 4 204.4 104.5 282 4 3 7 43.809 87.617 0.449 2.9 8 60.5 18.3 283 1 6 5 43.82 87.64 0.449 2.9 8 76.1 28.9 284 3 4 7 43.858 87.715 0.45 2.89 8 29.3 4.3 285 0 5 7 43.921 87.841 0.45 2.89 4 74.8 13.9 286 7 1 1 43.944 87.888 0.45 2.89 8 60.7 18.4 287 3 0 9 43.983 87.965 0.451 2.89 4 97.8 23.8 288 4 4 6 44.035 88.069 0.451 2.88 8 34.9 6.1 289 0 3 9 44.046 88.091 0.451 2.88 4 65.6 10.7 290 5 5 1 44.112 88.223 0.452 2.88 8 74.9 27.8 291 3 3 8 44.193 88.386 0.452 2.87 8 17.8 1.6 292 7 0 2 44.232 88.465 0.453 2.87 4 163.1 65.9 293 1 7 1 44.279 88.559 0.453 2.87 8 50.1 12.4 294 5 1 7 44.299 88.598 0.453 2.87 8 69.4 23.8 295 0 0 10 44.396 88.793 0.454 2.86 2 99.2 12.1 296 1 5 7 44.467 88.934 0.455 2.86 8 125.0 77.0 297 3 1 9 44.536 89.072 0.455 2.85 8 63.4 19.8 298 1 3 9 44.592 89.184 0.456 2.85 8 98.6 47.8 299 7 1 2 44.785 89.571 0.457 2.84 8 60.5 17.9 300 6 4 0 44.861 89.721 0.458 2.84 4 143.6 50.4 301 1 0 10 44.943 89.885 0.459 2.83 4 67.7 11.2 302 5 5 2 44.953 89.906 0.459 2.83 8 50.4 12.4 X-ray diffraction powder data (I)...X-Ray wave length = 1.54056 (angs.): No H K L Theta 2*Theta d I int I int.n. I p.h.n. H(Si) ( degree ) (angstrem) *100 *100 1 1 0 1 6.898 13.797 6.41327 192.3 6.2 6.4 5.6 2 0 1 1 6.928 13.855 6.38633 71.4 2.3 2.4 5.6 3 2 0 0 11.26 22.519 3.945 67.1 2.2 2.2 5.6 4 1 1 2 11.355 22.709 3.91238 366.4 11.8 12.0 5.6 5 2 1 1 13.268 26.536 3.35628 1240.6 39.9 40.6 5.6 6 1 2 1 13.315 26.629 3.34468 679.3 21.8 22.2 5.6 7 1 0 3 13.384 26.768 3.32763 950.8 30.6 31.1 5.6 8 2 0 2 13.899 27.798 3.20663 1118.5 36.0 36.6 5.6 9 0 2 2 13.959 27.918 3.19316 356.4 11.5 11.7 5.6 10 1 1 3 14.564 29.129 3.06313 90.6 2.9 3.0 5.6 11 2 1 2 15.042 30.084 2.96797 34.4 1.1 1.1 5.6 12 2 2 0 16.082 32.164 2.78065 1466.4 47.1 47.8 5.6 13 0 0 4 16.251 32.502 2.7525 509.0 16.4 16.6 5.6 14 2 2 1 16.601 33.203 2.696 1121.2 36.0 36.5 5.6 15 2 0 3 16.658 33.317 2.68705 299.8 9.6 9.8 5.6 16 1 0 4 17.241 34.482 2.59889 789.8 25.4 25.7 5.7 17 3 0 1 17.525 35.05 2.55803 100.1 3.2 3.3 5.7 18 0 3 1 17.634 35.268 2.54269 1387.5 44.6 45.1 5.7 19 1 2 3 17.676 35.352 2.53685 664.6 21.4 21.6 5.7 20 3 1 1 18.466 36.932 2.43186 250.9 8.1 8.1 5.7 21 1 3 1 18.559 37.118 2.42012 92.6 3.0 3.0 5.7 22 3 0 2 18.941 37.881 2.37309 630.1 20.3 20.4 5.7 23 1 3 2 19.912 39.823 2.26174 146.8 4.7 4.8 5.7 24 2 2 3 20.337 40.675 2.21634 576.1 18.5 18.6 5.7 25 2 3 0 20.705 41.41 2.17866 187.8 6.0 6.1 5.7 26 1 2 4 20.831 41.662 2.16609 1421.7 45.7 45.9 5.7 27 3 2 1 21.073 42.147 2.14226 536.7 17.3 17.3 5.7 28 2 3 1 21.125 42.251 2.13722 214.7 6.9 6.9 5.7 29 0 3 3 21.213 42.427 2.12878 666.4 21.4 21.5 5.7 30 1 0 5 21.295 42.591 2.12095 359.4 11.6 11.6 5.7 31 3 1 3 21.93 43.86 2.06246 275.5 8.9 8.9 5.7 32 1 3 3 22.011 44.022 2.05528 720.2 23.1 23.2 5.7 33 4 0 0 22.986 45.972 1.9725 662.1 21.3 21.3 5.7 34 0 4 0 23.141 46.283 1.96 1185.9 38.1 38.1 5.7 35 2 2 4 23.189 46.378 1.95619 3111.0 100.0 100.0 5.7 36 4 0 1 23.374 46.747 1.94159 522.9 16.8 16.8 5.7 37 2 0 5 23.617 47.233 1.92275 136.9 4.4 4.4 5.7 38 3 0 4 23.897 47.793 1.90152 471.5 15.2 15.1 5.7 39 4 1 1 24.124 48.248 1.88465 93.2 3.0 3.0 5.7 40 3 2 3 24.231 48.462 1.87681 314.5 10.1 10.1 5.7 41 2 1 5 24.361 48.722 1.86741 303.0 9.7 9.7 5.7 42 4 0 2 24.508 49.016 1.8569 37.9 1.2 1.2 5.7 43 3 1 4 24.635 49.269 1.84795 239.0 7.7 7.7 5.7 44 1 3 4 24.708 49.417 1.84278 64.8 2.1 2.1 5.7 45 4 1 2 25.233 50.466 1.80691 56.6 1.8 1.8 5.8 46 1 4 2 25.368 50.737 1.79788 354.4 11.4 11.3 5.8 47 1 0 6 25.529 51.059 1.7873 31.2 1.0 1.0 5.8 48 2 4 0 26.029 52.059 1.7553 169.0 5.4 5.4 5.8 49 4 0 3 26.317 52.634 1.73745 288.6 9.3 9.2 5.8 50 4 1 3 27.007 54.013 1.6963 135.2 4.3 4.3 5.8 51 1 4 3 27.136 54.272 1.68882 200.4 6.4 6.4 5.8 52 0 3 5 27.222 54.443 1.68392 34.3 1.1 1.1 5.8 53 4 2 2 27.323 54.646 1.67814 515.3 16.6 16.4 5.8 54 2 4 2 27.426 54.852 1.67234 503.9 16.2 16.0 5.8 55 2 0 6 27.578 55.157 1.66381 118.7 3.8 3.8 5.8 56 0 2 6 27.612 55.225 1.66192 357.8 11.5 11.4 5.8 57 3 3 3 27.744 55.488 1.65466 96.8 3.1 3.1 5.8 58 1 3 5 27.887 55.775 1.64683 70.7 2.3 2.2 5.8 59 2 1 6 28.247 56.494 1.62757 108.9 3.5 3.5 5.8 60 4 2 3 29.008 58.016 1.58842 72.9 2.3 2.3 5.8 61 2 4 3 29.107 58.214 1.5835 58.7 1.9 1.9 5.8 62 4 3 0 29.292 58.584 1.57438 77.4 2.5 2.4 5.8 63 4 3 1 29.619 59.239 1.55852 455.9 14.7 14.4 5.8 64 3 4 1 29.676 59.353 1.55581 42.7 1.4 1.3 5.8 65 0 5 1 29.749 59.499 1.55234 45.3 1.5 1.4 5.8 66 3 2 5 29.785 59.57 1.55064 331.3 10.6 10.5 5.8 67 2 3 5 29.826 59.651 1.54873 38.7 1.2 1.2 5.8 68 1 0 7 29.958 59.917 1.54251 367.2 11.8 11.6 5.8 69 5 0 2 30.517 61.034 1.51691 90.3 2.9 2.8 5.8 70 4 3 2 30.589 61.178 1.51369 93.8 3.0 3.0 5.8 71 4 2 4 31.269 62.539 1.48399 32.5 1.0 1.0 5.8 72 2 4 4 31.364 62.727 1.47997 126.0 4.0 4.0 5.8 73 5 2 1 32.062 64.124 1.45108 32.6 1.0 1.0 5.9 74 4 3 3 32.166 64.333 1.44686 114.5 3.7 3.6 5.9 75 2 5 1 32.225 64.449 1.44453 290.3 9.3 9.1 5.9 76 1 4 5 32.352 64.703 1.43947 110.9 3.6 3.5 5.9 77 2 1 7 32.432 64.864 1.43629 114.3 3.7 3.6 5.9 78 1 5 3 32.892 65.784 1.41842 53.6 1.7 1.7 5.9 79 5 2 2 32.99 65.98 1.41468 320.4 10.3 10.0 5.9 80 4 4 0 33.644 67.288 1.39033 116.5 3.7 3.6 5.9 81 4 4 1 33.947 67.894 1.37937 169.3 5.4 5.3 5.9 82 4 2 5 34.048 68.096 1.37577 107.1 3.4 3.3 5.9 83 2 4 5 34.138 68.277 1.37257 105.8 3.4 3.3 5.9 84 3 4 4 34.36 68.721 1.36478 59.3 1.9 1.8 5.9 85 1 0 8 34.621 69.242 1.35578 116.2 3.7 3.6 5.9 86 2 5 3 34.665 69.329 1.35428 146.9 4.7 4.6 5.9 87 5 1 4 34.832 69.665 1.34858 36.6 1.2 1.1 5.9 88 4 0 6 34.983 69.965 1.34352 32.6 1.0 1.0 5.9 89 5 3 1 35.065 70.129 1.34078 74.2 2.4 2.3 5.9 90 3 5 1 35.183 70.367 1.33684 81.1 2.6 2.5 5.9 91 1 3 7 35.441 70.883 1.32837 144.5 4.6 4.5 5.9 92 0 6 0 36.122 72.243 1.30667 88.9 2.9 2.8 5.9 93 4 4 3 36.331 72.662 1.30016 139.3 4.5 4.3 6.0 94 6 1 1 36.731 73.461 1.28798 156.9 5.0 4.8 6.0 95 5 0 5 36.908 73.817 1.28265 43.5 1.4 1.3 6.0 96 1 2 8 36.954 73.907 1.28131 410.6 13.2 12.7 6.0 97 3 2 7 37.122 74.244 1.27632 180.6 5.8 5.6 6.0 98 2 3 7 37.158 74.317 1.27526 160.6 5.2 4.9 6.0 99 5 3 3 37.418 74.836 1.26769 117.2 3.8 3.6 6.0 100 3 5 3 37.534 75.067 1.26435 106.0 3.4 3.3 6.0 101 1 6 2 37.857 75.714 1.25515 96.2 3.1 3.0 6.0 102 6 2 1 38.447 76.894 1.2388 85.4 2.7 2.6 6.0 103 2 2 8 38.645 77.29 1.23344 81.6 2.6 2.5 6.0 104 2 6 1 38.677 77.353 1.2326 35.4 1.1 1.1 6.0 105 5 4 1 39.092 78.185 1.22156 32.2 1.0 1.0 6.0 106 3 0 8 39.175 78.351 1.21939 151.0 4.9 4.6 6.0 107 1 6 3 39.295 78.591 1.21626 76.9 2.5 2.3 6.0 108 2 5 5 39.338 78.676 1.21516 65.7 2.1 2.0 6.0 109 1 4 7 39.455 78.909 1.21215 343.2 11.0 10.5 6.0 110 3 5 4 39.548 79.096 1.20975 137.4 4.4 4.2 6.0 111 1 0 9 39.582 79.164 1.20889 66.5 2.1 2.0 6.0 112 3 1 8 39.739 79.478 1.2049 66.6 2.1 2.0 6.0 113 1 3 8 39.796 79.591 1.20346 50.9 1.6 1.6 6.0 114 3 3 7 39.96 79.921 1.19933 50.7 1.6 1.5 6.0 115 0 6 4 40.734 81.469 1.18041 123.8 4.0 3.8 6.1 116 6 1 4 41.039 82.078 1.17318 80.2 2.6 2.4 6.1 117 3 6 1 41.449 82.898 1.16364 93.5 3.0 2.8 6.1 118 3 6 2 42.296 84.591 1.14462 123.5 4.0 3.7 6.1 119 2 5 6 42.456 84.912 1.14111 50.4 1.6 1.5 6.1 120 6 2 4 42.708 85.417 1.13566 93.3 3.0 2.8 6.1 121 2 6 4 42.933 85.865 1.13087 145.8 4.7 4.4 6.1 122 4 0 8 43.036 86.073 1.12868 55.0 1.8 1.6 6.1 123 5 4 4 43.34 86.68 1.12233 86.5 2.8 2.6 6.1 124 7 0 1 43.39 86.78 1.12128 48.9 1.6 1.5 6.1 125 6 1 5 43.575 87.15 1.11748 119.0 3.8 3.6 6.2 126 5 0 7 43.746 87.491 1.11399 118.9 3.8 3.6 6.2 127 1 6 5 43.82 87.64 1.11249 47.2 1.5 1.4 6.2 128 7 1 1 43.944 87.888 1.10999 32.3 1.0 1.0 6.2 129 7 0 2 44.232 88.465 1.10423 65.9 2.1 2.0 6.2 130 5 1 7 44.299 88.598 1.10291 36.2 1.2 1.1 6.2 131 1 5 7 44.467 88.934 1.09962 77.0 2.5 2.3 6.2 132 1 3 9 44.592 89.184 1.09718 47.8 1.5 1.4 6.2 133 6 4 0 44.861 89.721 1.092 50.4 1.6 1.5 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) |