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 *** *********************** STANNOIDITE 1, f-stannite, sf-stannoidite, s-stannoidite Cu(16)(Fe,Zn)(6)S(24)Sn(4) Orthorhombic I 222 Z = 1 I222 7 .4 .1988 Ref.Str.: Kudoh Y., Takeuchi Y. (1976) * Z. Kristallogr., 144, 145-160 Initial data from BDM-file Lattice parameters (cub. angs.,degr.): a = 10.767 alpha = 90.0 b = 5.411 beta = 90.0 c = 16.118 gamma = 90.0 Unit cell volume (cub. angs.) = 939.04 Molar volume ( cub.cm/mol.) = 565.62 Co-ordinates, thermal parameters, occupation for atomic positions: NoP x/a y/b z/c B(j) atom / occupation 1 0.0 0.0 0.0 0.0 Fe = 0.25, Zn = 0.75 2 0.0 0.0 0.3298 0.0 Fe = 1.00 3 0.5 0.0 0.0 0.0 Cu = 1.00 4 0.0 0.0 0.5 0.0 Cu = 1.00 5 0.2511 0.0 0.5 0.0 Cu = 1.00 6 0.2465 0.0107 0.1695 0.0 Cu = 1.00 7 0.0 0.5 0.1693 0.0 Sn = 1.00 8 0.1308 0.2443 0.0826 0.0 S = 1.00 9 0.3792 0.7558 0.0801 0.0 S = 1.00 10 0.1294 0.7488 0.2546 0.0 S = 1.00 Co-ordinates for all atomic positions : No NoP x/a y/b z/c 1 1 0.0 0.0 0.0 2 2 0.0 0.0 0.3298 3 3 0.5 0.0 0.0 4 4 0.0 0.0 0.5 5 5 0.2511 0.0 0.5 6 6 0.2465 0.0107 0.1695 7 7 0.0 0.5 0.1693 8 8 0.1308 0.2443 0.0826 9 9 0.3792 0.7558 0.0801 10 10 0.1294 0.7488 0.2546 11 5 0.7489 0.0 0.5 12 6 0.7535 0.9893 0.1695 13 8 0.8692 0.7557 0.0826 14 9 0.6208 0.2442 0.0801 15 10 0.8706 0.2512 0.2546 16 2 0.0 0.0 0.6702 17 6 0.7535 0.0107 0.8305 18 7 0.0 0.5 0.8307 19 8 0.8692 0.2443 0.9174 20 9 0.6208 0.7558 0.9199 21 10 0.8706 0.7488 0.7454 22 6 0.2465 0.9893 0.8305 23 8 0.1308 0.7557 0.9174 24 9 0.3792 0.2442 0.9199 25 10 0.1294 0.2512 0.7454 26 1 0.5 0.5 0.5 27 2 0.5 0.5 0.8298 28 3 0.0 0.5 0.5 29 4 0.5 0.5 0.0 30 5 0.2489 0.5 0.0 31 6 0.2535 0.4893 0.6695 32 7 0.5 0.0 0.6693 33 8 0.3692 0.2557 0.5826 34 9 0.1208 0.7442 0.5801 35 10 0.3706 0.7512 0.7546 36 5 0.7511 0.5 0.0 37 6 0.7465 0.5107 0.6695 38 8 0.6308 0.7443 0.5826 39 9 0.8792 0.2558 0.5801 40 10 0.6294 0.2488 0.7546 41 2 0.5 0.5 0.1702 42 6 0.7465 0.4893 0.3305 43 7 0.5 0.0 0.3307 44 8 0.6308 0.2557 0.4174 45 9 0.8792 0.7442 0.4199 46 10 0.6294 0.7512 0.2454 47 6 0.2535 0.5107 0.3305 48 8 0.3692 0.7443 0.4174 49 9 0.1208 0.2558 0.4199 50 10 0.3706 0.2488 0.2454 X-ray density (g/cm cub.) = 4.61 MU (1/cm) = 668.152 Mass attenuation coefficient (cm**2/g) = 144.796 Selected interatomic distances (cation-anion,anion-anion): NoP Atom Rad.sph. C.N. Distance NoP N. (angs.) (angs.) 1 Fe ,Zn 3.18 4 2.3459 8 2.3459 8 2.3459 8 2.3459 8 2 Fe 3.144 4 2.293 10 2.293 10 2.3909 9 2.3909 9 3 Cu 3.36 4 2.2593 9 2.2593 9 2.2593 9 2.2593 9 4 Cu 3.36 4 2.2966 9 2.2966 9 2.2966 9 2.2966 9 5 Cu 3.36 4 2.303 8 2.356 9 2.303 8 2.356 9 6 Cu 3.36 4 2.2608 8 2.4536 9 2.3408 10 2.223 10 7 Sn 3.408 4 2.4188 8 2.3757 10 2.4188 8 2.3757 10 8 S 4.368 12 3.849 9 3.7605 9 3.8907 10 3.8567 10 3.9485 8 3.8631 8 3.9416 10 3.876 8 3.8402 8 3.7523 8 3.7457 9 3.6814 10 9 S 4.368 12 3.7605 8 3.849 8 3.8918 10 3.7082 9 3.7987 9 3.6653 9 3.7457 8 3.6948 9 3.7856 9 3.789 10 3.7714 10 3.8253 10 10 S 4.368 12 3.8567 8 3.8907 8 3.8918 9 3.9416 8 3.8929 10 3.8748 10 3.789 9 3.6814 8 3.8253 9 3.7714 9 3.7531 10 3.7531 10 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 1 0 1 5.734 11.467 0.056 197.41 4 16.0 22.9 2 0 0 2 6.372 12.745 0.062 159.39 2 12.2 5.4 3 2 0 0 9.564 19.128 0.093 69.53 2 106.3 178.3 4 0 1 1 10.042 20.084 0.097 62.86 4 78.6 176.1 5 1 1 0 10.661 21.323 0.103 55.53 4 33.6 28.5 6 1 0 3 10.723 21.446 0.104 54.87 4 148.4 547.8 7 2 0 2 11.526 23.052 0.112 47.21 4 27.6 16.3 8 1 1 2 12.459 24.918 0.121 40.1 8 98.0 349.1 9 0 0 4 12.825 25.65 0.124 37.73 2 65.0 36.2 10 0 1 3 13.569 27.137 0.131 33.49 4 3.1 0.1 11 2 1 1 13.937 27.874 0.135 31.64 8 74.2 158.0 12 3 0 1 14.793 29.586 0.143 27.86 4 31.4 12.5 13 2 0 4 16.097 32.195 0.155 23.23 4 25.2 6.7 14 2 1 3 16.707 33.415 0.161 21.43 8 684.8 9119.3 15 1 1 4 16.796 33.592 0.162 21.19 8 87.2 146.3 16 1 0 5 16.837 33.673 0.162 21.08 4 15.0 2.1 17 3 1 0 17.401 34.802 0.167 19.62 4 46.9 19.5 18 3 0 3 17.44 34.881 0.168 19.52 4 131.8 153.7 19 3 1 2 18.602 37.204 0.178 16.95 8 101.4 158.1 20 0 1 5 18.843 37.687 0.181 16.47 4 86.1 55.4 21 0 2 0 19.306 38.611 0.185 15.61 2 427.5 647.2 22 4 0 0 19.408 38.816 0.186 15.43 2 430.0 647.0 23 0 0 6 19.449 38.898 0.186 15.36 2 428.1 638.4 24 1 2 1 20.205 40.409 0.193 14.11 8 25.9 8.6 25 0 2 2 20.41 40.821 0.195 13.8 4 10.3 0.7 26 4 0 2 20.508 41.017 0.196 13.65 4 9.7 0.6 27 2 1 5 21.297 42.595 0.203 12.54 8 107.7 132.1 28 2 2 0 21.716 43.432 0.207 12.01 4 92.0 46.1 29 2 0 6 21.846 43.693 0.208 11.85 4 89.5 43.0 30 3 1 4 21.866 43.732 0.208 11.82 8 91.8 90.4 31 3 0 5 21.899 43.797 0.208 11.78 4 1.2 0.0 32 4 1 1 22.041 44.082 0.21 11.61 8 78.8 65.3 33 1 2 3 22.295 44.589 0.212 11.32 8 140.4 202.3 34 1 1 6 22.39 44.78 0.213 11.21 8 30.7 9.6 35 2 2 2 22.724 45.449 0.216 10.84 8 24.0 5.6 36 1 0 7 23.406 46.812 0.222 10.14 4 0.1 0.0 37 0 2 4 23.467 46.933 0.223 10.08 4 48.9 10.9 38 4 0 4 23.554 47.109 0.223 10.0 4 48.5 10.7 39 4 1 3 24.002 48.004 0.227 9.58 8 23.2 4.7 40 3 2 1 24.691 49.382 0.234 8.98 8 28.3 6.5 41 5 0 1 24.775 49.551 0.234 8.91 4 15.9 1.0 42 0 1 7 24.972 49.943 0.236 8.75 4 71.4 20.2 43 2 2 4 25.562 51.124 0.241 8.3 8 34.2 8.8 44 1 2 5 26.074 52.149 0.246 7.93 8 20.6 3.1 45 0 0 8 26.357 52.713 0.248 7.74 2 37.4 2.5 46 3 2 3 26.503 53.005 0.249 7.64 8 116.6 94.3 47 5 1 0 26.555 53.11 0.25 7.61 4 14.6 0.7 48 5 0 3 26.583 53.166 0.25 7.59 4 148.9 76.4 49 3 1 6 26.587 53.174 0.25 7.59 8 44.2 13.4 50 2 1 7 26.981 53.961 0.254 7.34 8 23.8 3.8 51 5 1 2 27.428 54.855 0.257 7.07 8 67.8 29.5 52 3 0 7 27.486 54.972 0.258 7.04 4 33.1 3.5 53 4 1 5 27.607 55.213 0.259 6.97 8 67.0 28.4 54 4 2 0 27.953 55.906 0.262 6.77 4 871.1 2331.0 55 0 2 6 27.984 55.968 0.262 6.75 4 869.1 2314.2 56 4 0 6 28.061 56.122 0.263 6.71 4 867.9 2293.5 57 2 0 8 28.296 56.592 0.265 6.59 4 20.2 1.2 58 1 1 8 28.748 57.496 0.269 6.35 8 81.9 38.7 59 4 2 2 28.797 57.594 0.269 6.33 8 19.9 2.3 60 2 2 6 29.853 59.705 0.278 5.84 8 62.6 20.7 61 3 2 5 29.894 59.789 0.279 5.82 8 45.2 10.8 62 6 0 0 29.897 59.794 0.279 5.82 2 85.1 9.5 63 0 3 1 29.934 59.869 0.279 5.8 4 81.3 17.4 64 5 1 4 29.943 59.885 0.279 5.8 8 65.2 22.4 65 5 0 5 29.969 59.937 0.279 5.79 4 2.8 0.0 66 1 3 0 30.187 60.374 0.281 5.69 4 28.0 2.0 67 1 0 9 30.418 60.837 0.283 5.6 4 135.0 46.3 68 6 0 2 30.707 61.415 0.285 5.48 4 16.1 0.6 69 1 3 2 30.992 61.985 0.288 5.37 8 78.8 30.2 70 1 2 7 31.119 62.239 0.289 5.32 8 40.7 8.0 71 4 2 4 31.242 62.483 0.29 5.28 8 60.7 17.7 72 0 3 3 31.541 63.082 0.292 5.17 4 25.6 1.5 73 2 3 1 31.732 63.463 0.294 5.1 8 56.1 14.6 74 0 1 9 31.742 63.484 0.294 5.1 4 29.6 2.0 75 6 1 1 31.875 63.75 0.295 5.05 8 57.0 14.9 76 5 2 1 32.261 64.522 0.298 4.92 8 28.2 3.6 77 3 1 8 32.364 64.727 0.299 4.88 8 92.4 37.8 78 4 1 7 32.497 64.995 0.3 4.84 8 56.3 13.9 79 6 0 4 33.068 66.137 0.305 4.66 4 38.4 3.1 80 2 3 3 33.289 66.578 0.307 4.6 8 554.1 1280.9 81 1 3 4 33.342 66.685 0.307 4.58 8 76.2 24.1 82 6 1 3 33.429 66.857 0.308 4.56 8 554.0 1269.0 83 2 1 9 33.484 66.968 0.308 4.54 8 550.7 1249.7 84 0 2 8 33.61 67.219 0.309 4.51 4 3.5 0.0 85 4 0 8 33.679 67.358 0.31 4.49 4 4.1 0.0 86 0 0 10 33.707 67.414 0.31 4.48 2 78.1 6.2 87 3 3 0 33.712 67.423 0.31 4.48 4 42.7 3.7 88 5 2 3 33.805 67.611 0.311 4.45 8 138.9 77.9 89 5 1 6 33.878 67.756 0.312 4.43 8 17.5 1.2 90 3 0 9 33.93 67.86 0.312 4.42 4 105.1 22.1 91 3 3 2 34.472 68.944 0.316 4.28 8 88.6 30.5 92 3 2 7 34.592 69.184 0.317 4.24 8 32.3 4.0 93 0 3 5 34.629 69.258 0.318 4.24 4 53.6 5.5 94 5 0 7 34.661 69.321 0.318 4.23 4 35.6 2.4 95 4 2 6 35.097 70.195 0.321 4.12 8 384.7 553.4 96 2 2 8 35.305 70.61 0.323 4.07 8 28.2 2.9 97 2 0 10 35.4 70.8 0.324 4.05 4 34.7 2.2 98 7 0 1 35.744 71.488 0.327 3.97 4 18.6 0.6 99 1 1 10 35.801 71.602 0.327 3.96 8 64.3 14.9 100 2 3 5 36.303 72.605 0.331 3.86 8 87.5 26.8 101 6 1 5 36.437 72.874 0.332 3.83 8 88.4 27.2 102 3 3 4 36.71 73.419 0.334 3.78 8 87.4 26.2 103 6 2 0 36.735 73.471 0.334 3.77 4 43.7 3.3 104 5 2 5 36.8 73.6 0.335 3.76 8 21.3 1.5 105 6 0 6 36.829 73.658 0.335 3.75 4 41.8 3.0 106 4 3 1 36.836 73.672 0.335 3.75 8 49.8 8.4 107 1 3 6 37.09 74.181 0.337 3.7 8 30.4 3.1 108 7 1 0 37.197 74.394 0.338 3.68 4 54.6 5.0 109 1 2 9 37.207 74.414 0.338 3.68 8 118.0 46.5 110 7 0 3 37.22 74.441 0.338 3.68 4 94.0 14.7 111 6 2 2 37.469 74.938 0.34 3.63 8 35.4 4.1 112 7 1 2 37.927 75.855 0.344 3.56 8 91.6 27.1 113 1 0 11 38.029 76.059 0.344 3.54 4 11.4 0.2 114 4 3 3 38.297 76.593 0.346 3.5 8 30.3 2.9 115 4 1 9 38.481 76.962 0.348 3.47 8 33.6 3.6 116 0 3 7 39.046 78.092 0.352 3.38 4 44.1 3.0 117 5 1 8 39.053 78.107 0.352 3.38 8 70.7 15.3 118 3 1 10 39.079 78.159 0.352 3.38 8 76.2 17.8 119 0 1 11 39.229 78.459 0.354 3.36 4 58.7 5.2 120 6 2 4 39.642 79.283 0.357 3.3 8 22.3 1.5 121 7 1 4 40.092 80.185 0.36 3.24 8 88.3 23.0 122 7 0 5 40.115 80.23 0.36 3.24 4 58.3 5.0 123 4 2 8 40.212 80.424 0.361 3.23 8 26.3 2.0 124 0 2 10 40.238 80.476 0.361 3.23 4 98.8 14.3 125 4 0 10 40.303 80.606 0.362 3.22 4 98.4 14.1 126 5 3 0 40.307 80.615 0.362 3.22 4 19.2 0.5 127 3 3 6 40.333 80.666 0.362 3.21 8 41.3 5.0 128 3 2 9 40.447 80.893 0.363 3.2 8 115.1 38.5 129 5 0 9 40.512 81.023 0.363 3.19 4 130.1 24.5 130 2 3 7 40.654 81.308 0.364 3.18 8 17.8 0.9 131 6 1 7 40.784 81.567 0.365 3.16 8 18.4 1.0 132 2 1 11 40.835 81.67 0.366 3.16 8 115.9 38.5 133 5 3 2 41.021 82.042 0.367 3.14 8 72.4 14.9 134 5 2 7 41.134 82.269 0.368 3.12 8 25.6 1.9 135 4 3 5 41.169 82.339 0.368 3.12 8 72.8 15.0 136 3 0 11 41.251 82.501 0.369 3.11 4 45.2 2.9 137 0 4 0 41.393 82.785 0.37 3.1 2 745.0 389.9 138 8 0 0 41.651 83.302 0.372 3.07 2 742.0 383.5 139 0 0 12 41.754 83.508 0.372 3.06 2 735.5 375.6 140 2 2 10 41.835 83.67 0.373 3.05 8 29.3 2.4 141 6 0 8 41.874 83.747 0.373 3.05 4 33.4 1.5 142 1 4 1 41.968 83.937 0.374 3.04 8 41.7 4.8 143 0 4 2 42.103 84.206 0.375 3.03 4 21.7 0.6 144 1 3 8 42.126 84.252 0.375 3.03 8 82.5 18.7 145 7 2 1 42.162 84.324 0.375 3.02 8 51.7 7.3 146 8 0 2 42.361 84.722 0.377 3.01 4 19.8 0.5 147 2 4 0 42.982 85.964 0.381 2.96 4 50.0 3.3 148 5 3 4 43.15 86.3 0.382 2.94 8 58.8 9.2 149 6 2 6 43.201 86.401 0.383 2.94 8 65.6 11.5 150 2 0 12 43.342 86.683 0.384 2.93 4 43.1 2.5 151 1 4 3 43.385 86.77 0.384 2.93 8 116.0 35.7 152 8 1 1 43.4 86.8 0.384 2.92 8 54.6 7.9 153 7 2 3 43.578 87.155 0.385 2.91 8 96.6 24.7 154 7 1 6 43.645 87.29 0.386 2.91 8 53.1 7.5 155 2 4 2 43.689 87.378 0.386 2.9 8 29.5 2.3 156 1 1 12 43.722 87.443 0.386 2.9 8 29.3 2.3 157 0 4 4 44.225 88.451 0.39 2.87 4 57.0 4.2 158 1 2 11 44.36 88.721 0.391 2.86 8 27.7 2.0 159 7 0 7 44.374 88.747 0.391 2.86 4 38.7 1.9 160 8 0 4 44.482 88.964 0.392 2.86 4 55.0 3.9 161 0 3 9 44.735 89.471 0.393 2.84 4 30.7 1.2 162 8 1 3 44.812 89.625 0.394 2.84 8 36.9 3.5 163 6 3 1 44.854 89.708 0.394 2.84 8 47.9 5.9 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 2 0 0 9.564 19.128 5.3835 178.3 2.0 2.0 5.6 2 0 1 1 10.042 20.084 5.12965 176.1 1.9 2.0 5.6 3 1 0 3 10.723 21.446 4.80739 547.8 6.0 6.1 5.6 4 1 1 2 12.459 24.918 4.14594 349.1 3.8 3.9 5.6 5 2 1 1 13.937 27.874 3.71371 158.0 1.7 1.7 5.6 6 2 1 3 16.707 33.415 3.11133 9119.3 100.0 100.0 5.7 7 1 1 4 16.796 33.592 3.09539 146.3 1.6 1.6 5.7 8 3 0 3 17.44 34.881 2.98438 153.7 1.7 1.7 5.7 9 3 1 2 18.602 37.204 2.80402 158.1 1.7 1.7 5.7 10 0 2 0 19.306 38.611 2.7055 647.2 7.1 7.1 5.7 11 4 0 0 19.408 38.816 2.69175 647.0 7.1 7.1 5.7 12 0 0 6 19.449 38.898 2.68633 638.4 7.0 7.0 5.7 13 2 1 5 21.297 42.595 2.46265 132.1 1.4 1.4 5.7 14 3 1 4 21.866 43.732 2.40162 133.4 1.5 1.4 5.7 15 1 2 3 22.295 44.589 2.35777 202.3 2.2 2.2 5.7 16 3 2 3 26.503 53.005 2.00444 94.3 1.0 1.0 5.8 17 4 2 0 27.953 55.906 1.9082 2331.0 25.6 24.9 5.8 18 0 2 6 27.984 55.968 1.90626 2314.2 25.4 24.8 5.8 19 4 0 6 28.061 56.122 1.90144 2293.5 25.1 24.5 5.8 20 2 3 3 33.289 66.578 1.62966 1280.9 14.0 13.5 5.9 21 6 1 3 33.429 66.857 1.62364 1269.0 13.9 13.4 5.9 22 2 1 9 33.484 66.968 1.62126 1249.7 13.7 13.1 5.9 23 4 2 6 35.097 70.195 1.55567 553.4 6.1 5.8 5.9 24 0 4 0 41.393 82.785 1.35275 389.9 4.3 4.0 6.1 25 8 0 0 41.651 83.302 1.34588 383.5 4.2 3.9 6.1 26 0 0 12 41.754 83.508 1.34317 375.6 4.1 3.8 6.1 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) |