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 *** *********************** DERBYLITE 1, f-tomichite, g-tomichite, DN Fe(4)Ti(3)SbO(13)(OH) Monoclinic P 2(1)/m Z = 2 R =0.045 NR =2181 7 .12 .1993 Ref.Str.: Moore P.B., Araki T. (1976) * Neues Jb. Miner., Abh., 126, 3, 292-303 Reserv: T.V.Ush. Initial data from BDM-file Lattice parameters (cub. angs.,degr.): a = 7.16 alpha = 90.0 b = 14.347 beta = 104.61 c = 4.97 gamma = 90.0 Unit cell volume (cub. angs.) = 494.03 Molar volume ( cub.cm/mol.) = 148.79 Co-ordinates, thermal parameters, occupation for atomic positions: NoP x/a y/b z/c B(j) atom / occupation 1 0.0765 0.25 0.0533 0.56 Sb = 1.00 2 0.4942 0.25 0.7452 0.7 Ti = 1.00 3 0.507 0.1297 0.247 0.66 Fe = 1.00 4 0.8076 0.0587 0.869 0.64 Fe = 0.43, Fe = 0.0 5 0.8187 0.9352 0.3756 0.65 Fe = 0.57, Ti = 0.43 6 0.3516 0.25 0.0252 0.73 O = 1.00 7 0.678 0.9538 0.9886 0.59 O = 1.00 8 0.6608 0.1523 0.9666 0.71 O = 1.00 9 0.0006 0.1499 0.7645 0.68 O = 1.00 10 0.0004 0.0375 0.2508 0.55 O = 1.00 11 0.6807 0.0438 0.4969 0.59 O = 1.00 12 0.3356 0.1528 0.5157 0.7 O = 1.00 13 0.6408 0.25 0.4657 0.56 OH = 1.00 Co-ordinates for all atomic positions : No NoP x/a y/b z/c 1 1 0.0765 0.25 0.0533 2 2 0.4942 0.25 0.7452 3 3 0.507 0.1297 0.247 4 4 0.8076 0.0587 0.869 5 5 0.8187 0.9352 0.3756 6 6 0.3516 0.25 0.0252 7 7 0.678 0.9538 0.9886 8 8 0.6608 0.1523 0.9666 9 9 0.0006 0.1499 0.7645 10 10 0.0004 0.0375 0.2508 11 11 0.6807 0.0438 0.4969 12 12 0.3356 0.1528 0.5157 13 13 0.6408 0.25 0.4657 14 1 0.9235 0.75 0.9467 15 2 0.5058 0.75 0.2548 16 3 0.493 0.6297 0.753 17 4 0.1924 0.5587 0.131 18 5 0.1813 0.4352 0.6244 19 6 0.6484 0.75 0.9748 20 7 0.322 0.4538 0.0114 21 8 0.3392 0.6523 0.0334 22 9 0.9994 0.6499 0.2355 23 10 0.9996 0.5375 0.7492 24 11 0.3193 0.5438 0.5031 25 12 0.6644 0.6528 0.4843 26 13 0.3592 0.75 0.5343 27 3 0.507 0.3703 0.247 28 4 0.8076 0.4412 0.869 29 5 0.8187 0.5648 0.3756 30 7 0.678 0.5462 0.9886 31 8 0.6608 0.3477 0.9666 32 9 0.0006 0.3501 0.7645 33 10 0.0004 0.4625 0.2508 34 11 0.6807 0.4562 0.4969 35 12 0.3356 0.3472 0.5157 36 3 0.493 0.8703 0.753 37 4 0.1924 0.9413 0.131 38 5 0.1813 0.0648 0.6244 39 7 0.322 0.0462 0.0114 40 8 0.3392 0.8477 0.0334 41 9 0.9994 0.8501 0.2355 42 10 0.9996 0.9625 0.7492 43 11 0.3193 0.9562 0.5031 44 12 0.6644 0.8472 0.4843 X-ray density (g/cm cub.) = 4.43 MU (1/cm) = 610.497 Mass attenuation coefficient (cm**2/g) = 137.806 Selected interatomic distances (cation-anion,anion-anion): NoP Atom Rad.sph. C.N. Distance NoP N. (angs.) (angs.) 1 Sb 2.76 3 2.0093 6 2.0061 9 2.0061 9 2 Ti 2.616 6 1.9228 6 1.984 8 1.9702 12 1.9406 13 1.984 8 1.9702 12 3 Fe 2.64 6 2.1945 6 2.0085 8 1.9563 11 2.056 12 2.1341 13 1.9436 7 4 Fe ,Fe 2.64 6 1.9391 7 1.8437 8 2.0618 9 2.0685 10 1.8556 11 2.1363 10 5 Fe ,Ti 2.64 6 1.9516 7 2.1543 10 2.017 11 2.0259 9 2.0163 10 1.8453 12 6 O 3.312 11 2.6974 8 2.9008 9 2.8358 12 2.8677 12 2.6065 13 2.9311 7 2.6974 8 2.9008 9 2.8358 12 2.8677 12 2.9311 7 7 O 3.312 12 2.8514 8 2.6365 10 2.8328 11 2.7683 11 2.9311 6 2.9005 7 2.9195 8 2.7551 9 2.8488 10 3.0485 11 2.9222 12 2.9167 12 8 O 3.312 11 2.6974 6 2.8514 7 2.857 9 2.9812 10 3.0332 11 2.8391 11 2.7949 12 2.884 13 2.8289 13 2.8034 8 2.9195 7 9 O 3.312 10 2.9008 6 2.857 8 2.9058 10 3.0194 10 2.792 11 2.9632 12 2.9957 13 2.8723 9 2.7551 7 2.6897 10 10 O 3.312 11 2.6365 7 2.9812 8 3.0194 9 2.9058 9 2.8559 11 2.9387 12 2.8488 7 2.6897 9 2.702 10 2.7139 10 2.5888 11 11 O 3.312 12 2.7683 7 2.8328 7 2.8391 8 3.0332 8 2.792 9 2.8559 10 2.9455 12 2.9724 13 3.0485 7 2.5888 10 2.8838 11 2.8231 12 12 O 3.312 11 2.8677 6 2.8358 6 2.7949 8 2.9632 9 2.9387 10 2.9455 11 2.6562 13 2.7891 12 2.9222 7 2.9167 7 2.8231 11 13 OH 3.36 11 2.6065 6 2.8289 8 2.884 8 2.9957 9 2.9724 11 2.6562 12 2.8289 8 2.884 8 2.9957 9 2.9724 11 2.6562 12 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 7.163 14.326 0.07 125.68 2 32.3 107.2 2 1 0 0 7.418 14.835 0.072 117.05 2 15.1 21.9 3 1 1 0 8.243 16.485 0.08 94.36 4 62.4 602.7 4 1 2 0 10.34 20.679 0.1 59.17 4 20.0 38.8 5 0 0 1 10.719 21.437 0.104 54.92 2 57.0 146.2 6 0 1 1 11.312 22.625 0.11 49.09 4 8.5 5.8 7 1 0 -1 11.411 22.822 0.111 48.2 2 48.1 91.4 8 1 1 -1 11.972 23.945 0.116 43.6 4 38.5 105.8 9 0 2 1 12.939 25.878 0.125 37.03 4 106.5 688.4 10 1 3 0 13.136 26.272 0.127 35.87 4 7.3 3.1 11 1 2 -1 13.525 27.049 0.131 33.72 4 115.2 733.3 12 0 4 0 14.441 28.882 0.139 29.34 2 38.2 35.0 13 1 0 1 14.58 29.16 0.141 28.74 2 74.9 132.0 14 2 0 0 14.963 29.926 0.144 27.19 2 81.2 146.9 15 1 1 1 15.031 30.062 0.145 26.93 4 23.1 23.6 16 0 3 1 15.294 30.587 0.147 25.94 4 11.5 5.6 17 2 1 0 15.404 30.807 0.148 25.55 4 90.0 338.9 18 1 3 -1 15.799 31.598 0.152 24.19 4 30.2 36.1 19 2 0 -1 16.114 32.227 0.155 23.18 2 73.8 103.6 20 1 4 0 16.309 32.618 0.157 22.59 4 115.6 494.8 21 1 2 1 16.315 32.631 0.157 22.57 4 57.2 121.1 22 2 1 -1 16.527 33.053 0.159 21.95 4 6.4 1.5 23 2 2 0 16.662 33.324 0.16 21.56 4 140.6 698.8 24 2 2 -1 17.714 35.428 0.17 18.87 4 74.4 171.3 25 0 4 1 18.125 36.251 0.174 17.94 4 78.9 183.1 26 1 3 1 18.277 36.554 0.175 17.62 4 226.3 1479.2 27 1 4 -1 18.562 37.124 0.178 17.03 4 91.9 235.8 28 2 3 0 18.592 37.183 0.178 16.97 4 29.4 24.1 29 2 3 -1 19.553 39.107 0.187 15.18 4 233.8 1359.5 30 1 5 0 19.719 39.437 0.189 14.9 4 70.2 120.4 31 2 0 1 20.747 41.493 0.198 13.3 2 56.1 34.3 32 1 4 1 20.753 41.507 0.198 13.29 4 53.2 61.7 33 2 4 0 21.037 42.073 0.201 12.9 4 6.6 0.9 34 2 1 1 21.081 42.161 0.201 12.84 4 91.2 175.1 35 1 0 -2 21.203 42.405 0.202 12.67 2 207.3 446.2 36 0 5 1 21.284 42.568 0.203 12.56 4 81.0 135.2 37 1 1 -2 21.531 43.062 0.205 12.24 4 13.4 3.6 38 1 5 -1 21.667 43.334 0.206 12.07 4 58.8 68.3 39 0 0 2 21.837 43.674 0.208 11.86 2 12.9 1.6 40 2 4 -1 21.908 43.817 0.209 11.77 4 57.2 63.0 41 0 6 0 21.967 43.933 0.209 11.7 2 139.2 185.8 42 2 2 1 22.058 44.115 0.21 11.59 4 6.8 0.9 43 0 1 2 22.158 44.316 0.211 11.48 4 61.3 70.7 44 1 2 -2 22.492 44.985 0.214 11.1 4 61.6 68.9 45 3 0 -1 22.646 45.292 0.215 10.93 2 52.7 24.8 46 3 0 0 22.786 45.573 0.216 10.77 2 47.9 20.3 47 3 1 -1 22.958 45.915 0.218 10.59 4 92.5 148.7 48 3 1 0 23.097 46.193 0.219 10.45 4 68.9 81.2 49 0 2 2 23.099 46.197 0.219 10.45 4 37.8 24.5 50 2 0 -2 23.31 46.619 0.221 10.23 2 65.0 35.4 51 1 6 0 23.311 46.622 0.221 10.23 4 64.5 69.7 52 2 3 1 23.614 47.229 0.224 9.94 4 13.4 2.9 53 2 1 -2 23.614 47.229 0.224 9.94 4 26.1 11.1 54 1 5 1 23.62 47.241 0.224 9.93 4 178.7 520.0 55 3 2 -1 23.874 47.747 0.226 9.69 4 13.6 3.0 56 2 5 0 23.877 47.753 0.226 9.69 4 80.3 102.3 57 3 2 0 24.009 48.017 0.227 9.57 4 28.7 12.9 58 1 3 -2 24.027 48.054 0.228 9.55 4 5.6 0.5 59 2 2 -2 24.512 49.023 0.232 9.13 4 2.2 0.1 60 0 3 2 24.604 49.208 0.233 9.05 4 12.1 2.2 61 2 5 -1 24.669 49.338 0.233 9.0 4 73.8 80.4 62 0 6 1 24.693 49.386 0.234 8.98 4 47.8 33.6 63 1 6 -1 25.035 50.07 0.237 8.7 4 41.6 24.7 64 1 0 2 25.048 50.097 0.237 8.69 2 61.7 27.2 65 1 1 2 25.338 50.675 0.239 8.47 4 75.1 78.3 66 3 3 -1 25.344 50.689 0.239 8.46 4 50.1 34.9 67 3 3 0 25.474 50.947 0.24 8.37 4 85.6 100.5 68 2 4 1 25.672 51.343 0.242 8.22 4 11.5 1.8 69 2 3 -2 25.956 51.911 0.245 8.02 4 5.6 0.4 70 1 4 -2 26.06 52.12 0.246 7.94 4 29.5 11.3 71 1 2 2 26.191 52.382 0.247 7.85 4 125.9 203.9 72 0 4 2 26.605 53.209 0.25 7.58 4 109.3 148.3 73 1 6 1 26.8 53.601 0.252 7.45 4 60.4 44.6 74 2 6 0 27.034 54.069 0.254 7.31 4 1.3 0.0 75 1 7 0 27.072 54.144 0.254 7.28 4 32.0 12.2 76 3 4 -1 27.306 54.611 0.256 7.14 4 32.8 12.6 77 3 4 0 27.428 54.857 0.257 7.07 4 51.3 30.5 78 1 3 2 27.572 55.143 0.259 6.99 4 47.5 25.8 79 3 0 -2 27.673 55.345 0.26 6.93 2 168.3 160.8 80 2 6 -1 27.761 55.522 0.26 6.88 4 52.6 31.2 81 2 4 -2 27.887 55.774 0.261 6.81 4 110.8 136.9 82 3 1 -2 27.942 55.885 0.262 6.78 4 75.5 63.3 83 3 0 1 28.036 56.072 0.263 6.73 2 21.9 2.6 84 2 5 1 28.155 56.311 0.264 6.66 4 58.9 37.9 85 3 1 1 28.304 56.608 0.265 6.58 4 70.8 54.1 86 0 7 1 28.32 56.639 0.265 6.57 4 49.7 26.6 87 1 5 -2 28.52 57.04 0.267 6.47 4 29.7 9.3 88 1 7 -1 28.631 57.262 0.268 6.41 4 44.1 20.4 89 3 2 -2 28.742 57.484 0.269 6.36 4 113.2 133.5 90 0 5 2 29.033 58.067 0.271 6.21 4 77.9 61.8 91 3 2 1 29.097 58.194 0.272 6.18 4 24.2 5.9 92 1 4 2 29.431 58.861 0.275 6.03 4 9.7 0.9 93 3 5 -1 29.696 59.393 0.277 5.91 4 91.7 81.5 94 3 5 0 29.812 59.625 0.278 5.86 4 78.2 58.6 95 0 8 0 29.918 59.836 0.279 5.81 2 74.1 26.2 96 3 3 -2 30.044 60.088 0.28 5.75 4 8.4 0.7 97 4 0 -1 30.185 60.37 0.281 5.69 2 46.7 10.2 98 2 0 2 30.23 60.459 0.281 5.68 2 213.0 211.1 99 2 5 -2 30.247 60.495 0.282 5.67 4 43.0 17.2 100 1 7 1 30.253 60.505 0.282 5.67 4 52.9 26.0 101 3 3 1 30.389 60.779 0.283 5.61 4 72.4 48.3 102 4 1 -1 30.441 60.881 0.283 5.59 4 75.0 51.5 103 2 7 0 30.469 60.938 0.283 5.58 4 55.3 27.9 104 2 1 2 30.485 60.97 0.284 5.57 4 60.5 33.5 105 2 6 1 31.009 62.019 0.288 5.36 4 39.9 14.0 106 1 8 0 31.01 62.021 0.288 5.36 4 65.8 38.1 107 4 0 0 31.091 62.182 0.289 5.33 2 52.4 12.0 108 2 7 -1 31.144 62.288 0.289 5.31 4 70.1 42.8 109 4 2 -1 31.2 62.4 0.29 5.29 4 15.4 2.1 110 2 2 2 31.244 62.487 0.29 5.28 4 35.1 10.7 111 4 1 0 31.342 62.684 0.291 5.24 4 58.3 29.2 112 1 6 -2 31.354 62.707 0.291 5.23 4 153.3 201.6 113 1 5 2 31.72 63.439 0.294 5.1 4 74.2 46.0 114 3 4 -2 31.812 63.625 0.295 5.07 4 19.5 3.1 115 0 6 2 31.839 63.678 0.295 5.06 4 46.5 17.9 116 4 2 0 32.089 64.178 0.297 4.98 4 15.1 1.9 117 3 4 1 32.147 64.293 0.297 4.96 4 20.9 3.5 118 0 8 1 32.161 64.323 0.298 4.95 4 86.2 60.2 119 4 3 -1 32.443 64.886 0.3 4.86 4 80.5 51.6 120 1 8 -1 32.45 64.9 0.3 4.86 4 92.1 67.6 121 3 6 -1 32.468 64.935 0.3 4.85 4 53.5 22.8 122 2 3 2 32.486 64.971 0.3 4.85 4 89.9 64.2 123 3 6 0 32.578 65.156 0.301 4.82 4 85.0 57.0 124 1 0 -3 32.686 65.373 0.302 4.78 2 52.9 11.0 125 1 1 -3 32.931 65.862 0.304 4.71 4 33.3 8.6 126 2 6 -2 32.992 65.984 0.304 4.69 4 116.0 103.4 127 4 3 0 33.314 66.628 0.307 4.59 4 81.3 49.8 128 2 0 -3 33.542 67.084 0.309 4.53 2 21.3 1.7 129 1 2 -3 33.659 67.318 0.31 4.49 4 61.7 28.1 130 4 0 -2 33.717 67.434 0.31 4.48 2 197.5 143.1 131 2 1 -3 33.783 67.566 0.311 4.46 4 9.5 0.7 132 0 0 3 33.915 67.829 0.312 4.42 2 46.8 7.9 133 4 1 -2 33.958 67.915 0.312 4.41 4 60.9 26.8 134 1 8 1 33.965 67.93 0.312 4.41 4 42.7 13.2 135 3 5 -2 34.01 68.02 0.313 4.4 4 55.4 22.1 136 4 4 -1 34.142 68.284 0.314 4.36 4 14.7 1.5 137 0 1 3 34.155 68.309 0.314 4.36 4 19.6 2.8 138 2 8 0 34.168 68.337 0.314 4.35 4 181.9 236.1 139 2 4 2 34.183 68.367 0.314 4.35 4 35.3 8.9 140 2 7 1 34.2 68.4 0.314 4.35 4 58.2 24.1 141 3 5 1 34.333 68.666 0.315 4.31 4 241.4 411.8 142 1 6 2 34.4 68.799 0.316 4.29 4 4.5 0.1 143 2 2 -3 34.502 69.005 0.317 4.27 4 83.1 48.3 144 1 7 -2 34.527 69.055 0.317 4.26 4 9.3 0.6 145 4 2 -2 34.675 69.35 0.318 4.22 4 48.9 16.6 146 2 8 -1 34.805 69.609 0.319 4.19 4 65.5 29.5 147 1 3 -3 34.856 69.711 0.319 4.18 4 44.8 13.7 148 0 2 3 34.87 69.74 0.32 4.18 4 24.5 4.1 149 0 7 2 34.99 69.979 0.321 4.15 4 41.0 11.4 150 4 4 0 34.992 69.984 0.321 4.15 4 62.5 26.5 151 1 9 0 35.153 70.306 0.322 4.11 4 6.6 0.3 152 3 7 -1 35.59 71.181 0.325 4.01 4 98.2 63.4 153 2 3 -3 35.686 71.372 0.326 3.99 4 72.9 34.7 154 3 7 0 35.696 71.392 0.326 3.98 4 58.4 22.3 155 4 3 -2 35.856 71.712 0.327 3.95 4 61.9 24.8 156 0 3 3 36.049 72.097 0.329 3.91 4 177.9 202.7 157 2 7 -2 36.093 72.186 0.329 3.9 4 13.0 1.1 158 0 9 1 36.237 72.474 0.33 3.87 4 72.2 33.0 159 4 0 1 36.254 72.507 0.331 3.87 2 66.3 13.9 160 4 5 -1 36.27 72.54 0.331 3.86 4 213.4 288.4 161 2 5 2 36.31 72.621 0.331 3.85 4 58.4 21.5 162 3 0 -3 36.409 72.818 0.332 3.83 2 48.4 7.4 163 4 1 1 36.487 72.974 0.332 3.82 4 79.1 39.2 164 1 4 -3 36.501 73.002 0.333 3.82 4 49.8 15.5 165 1 9 -1 36.51 73.02 0.333 3.81 4 55.7 19.4 166 3 6 -2 36.608 73.215 0.333 3.8 4 48.0 14.3 167 3 1 -3 36.642 73.284 0.334 3.79 4 22.7 3.2 168 3 6 1 36.921 73.842 0.336 3.73 4 6.4 0.3 169 3 0 2 36.932 73.864 0.336 3.73 2 109.1 36.4 170 4 5 0 37.099 74.197 0.337 3.7 4 25.4 3.9 171 1 0 3 37.127 74.255 0.337 3.7 2 24.1 1.8 172 3 1 2 37.163 74.327 0.338 3.69 4 35.9 7.8 173 4 2 1 37.183 74.366 0.338 3.69 4 36.4 8.0 174 2 4 -3 37.316 74.633 0.339 3.66 4 82.2 40.5 175 3 2 -3 37.337 74.674 0.339 3.66 4 66.6 26.6 176 1 1 3 37.359 74.717 0.339 3.65 4 100.4 60.4 177 1 7 2 37.448 74.896 0.34 3.64 4 54.5 17.7 178 4 4 -2 37.484 74.967 0.34 3.63 4 52.8 16.6 179 0 4 3 37.673 75.346 0.342 3.6 4 39.0 9.0 180 2 8 1 37.716 75.433 0.342 3.59 4 16.8 1.7 181 3 2 2 37.855 75.71 0.343 3.57 4 22.8 3.0 182 1 9 1 37.951 75.902 0.344 3.55 4 54.9 17.5 183 1 8 -2 38.031 76.062 0.344 3.54 4 70.9 29.2 184 1 2 3 38.049 76.098 0.345 3.54 4 15.3 1.4 185 2 9 0 38.145 76.291 0.345 3.52 4 38.8 8.7 186 4 3 1 38.333 76.666 0.347 3.49 4 76.6 33.6 187 0 8 2 38.476 76.953 0.348 3.47 4 26.9 4.1 188 3 3 -3 38.486 76.971 0.348 3.47 4 144.4 118.4 189 0 10 0 38.568 77.137 0.349 3.45 2 236.7 158.6 190 1 5 -3 38.576 77.152 0.349 3.45 4 188.3 200.6 191 5 0 -1 38.686 77.372 0.349 3.44 2 44.6 5.6 192 2 9 -1 38.755 77.51 0.35 3.43 4 31.0 5.4 193 4 6 -1 38.806 77.612 0.35 3.42 4 21.0 2.5 194 2 6 2 38.845 77.691 0.351 3.41 4 38.6 8.3 195 5 1 -1 38.914 77.828 0.351 3.4 4 107.5 64.5 196 3 3 2 38.999 77.997 0.352 3.39 4 72.5 29.2 197 3 8 -1 39.057 78.113 0.352 3.38 4 4.8 0.1 198 3 8 0 39.159 78.318 0.353 3.37 4 2.1 0.0 199 1 3 3 39.191 78.381 0.353 3.36 4 27.0 4.0 200 2 5 -3 39.376 78.753 0.355 3.34 4 80.9 35.8 201 4 5 -2 39.541 79.082 0.356 3.31 4 75.7 31.1 202 2 8 -2 39.543 79.087 0.356 3.31 4 70.4 26.9 203 1 10 0 39.544 79.088 0.356 3.31 4 26.8 3.9 204 3 7 -2 39.59 79.18 0.356 3.31 4 43.3 10.1 205 5 2 -1 39.596 79.192 0.356 3.31 4 36.1 7.0 206 4 6 0 39.616 79.233 0.356 3.3 4 24.6 3.3 207 0 5 3 39.727 79.454 0.357 3.29 4 67.9 24.9 208 3 7 1 39.896 79.791 0.359 3.27 4 31.1 5.2 209 4 4 1 39.926 79.851 0.359 3.26 4 29.7 4.7 210 3 4 -3 40.076 80.153 0.36 3.25 4 49.8 13.2 211 5 0 0 40.203 80.406 0.361 3.23 2 57.2 8.7 212 5 1 0 40.429 80.857 0.363 3.2 4 27.0 3.8 213 3 4 2 40.584 81.168 0.364 3.18 4 59.3 18.3 214 0 10 1 40.587 81.173 0.364 3.18 4 50.5 13.3 215 5 3 -1 40.726 81.451 0.365 3.17 4 68.6 24.4 216 1 4 3 40.774 81.548 0.365 3.16 4 2.0 0.0 217 1 10 -1 40.851 81.701 0.366 3.15 4 51.3 13.6 218 1 8 2 40.861 81.722 0.366 3.15 4 158.5 129.8 219 1 6 -3 41.067 82.134 0.367 3.13 4 38.9 7.8 220 5 2 0 41.104 82.208 0.367 3.13 4 104.5 56.0 221 4 0 -3 41.128 82.256 0.368 3.12 2 36.5 3.4 222 5 0 -2 41.202 82.403 0.368 3.12 2 33.5 2.9 223 4 1 -3 41.353 82.705 0.369 3.1 4 34.6 6.1 224 5 1 -2 41.426 82.852 0.37 3.09 4 59.0 17.6 225 2 9 1 41.572 83.145 0.371 3.08 4 78.2 30.9 226 4 7 -1 41.742 83.484 0.372 3.06 4 36.5 6.7 227 2 7 2 41.781 83.562 0.372 3.06 4 60.9 18.6 228 2 6 -3 41.856 83.712 0.373 3.05 4 41.2 8.5 229 1 9 -2 41.879 83.758 0.373 3.05 4 1.2 0.0 230 4 5 1 41.951 83.901 0.374 3.04 4 96.7 46.7 231 4 6 -2 42.018 84.036 0.374 3.04 4 33.8 5.7 232 4 2 -3 42.025 84.051 0.374 3.04 4 25.5 3.2 233 5 2 -2 42.099 84.197 0.375 3.03 4 53.8 14.4 234 3 5 -3 42.1 84.2 0.375 3.03 4 32.9 5.4 235 2 0 3 42.168 84.337 0.375 3.02 2 7.5 0.1 236 0 6 3 42.202 84.404 0.376 3.02 4 54.5 14.7 237 5 3 0 42.225 84.45 0.376 3.02 4 71.2 25.0 238 1 10 1 42.249 84.498 0.376 3.02 4 42.6 9.0 239 5 4 -1 42.296 84.592 0.376 3.01 4 18.2 1.6 240 0 9 2 42.315 84.629 0.376 3.01 4 15.8 1.2 241 2 1 3 42.392 84.784 0.377 3.0 4 71.4 25.1 242 2 10 0 42.438 84.877 0.377 3.0 4 28.8 4.1 243 4 7 0 42.54 85.08 0.378 2.99 4 59.6 17.4 244 3 5 2 42.603 85.206 0.378 2.99 4 25.8 3.3 245 1 5 3 42.791 85.583 0.38 2.97 4 34.5 5.8 246 3 9 -1 42.883 85.766 0.38 2.96 4 89.0 38.5 247 3 8 -2 42.961 85.922 0.381 2.96 4 135.7 89.3 248 3 9 0 42.984 85.967 0.381 2.96 4 58.0 16.3 249 2 10 -1 43.034 86.068 0.381 2.95 4 46.8 10.6 250 2 2 3 43.062 86.125 0.382 2.95 4 27.7 3.7 251 4 3 -3 43.143 86.286 0.382 2.94 4 37.4 6.8 252 5 3 -2 43.216 86.432 0.383 2.94 4 64.3 19.9 253 3 8 1 43.262 86.524 0.383 2.93 4 20.7 2.1 254 2 9 -2 43.361 86.723 0.384 2.93 4 0.7 0.0 255 5 4 0 43.788 87.576 0.387 2.9 4 14.4 1.0 256 1 7 -3 43.974 87.948 0.388 2.89 4 68.0 21.9 257 2 3 3 44.177 88.354 0.39 2.87 4 44.7 9.4 258 1 11 0 44.254 88.508 0.39 2.87 4 54.9 14.2 259 5 5 -1 44.304 88.609 0.39 2.87 4 14.4 1.0 260 4 6 1 44.406 88.812 0.391 2.86 4 47.9 10.8 261 3 6 -3 44.555 89.109 0.392 2.85 4 42.9 8.6 262 1 9 2 44.661 89.323 0.393 2.85 4 40.5 7.6 263 4 4 -3 44.703 89.406 0.393 2.84 4 42.9 8.6 264 2 7 -3 44.757 89.514 0.394 2.84 4 3.2 0.0 265 5 4 -2 44.776 89.552 0.394 2.84 4 34.6 5.6 266 4 7 -2 44.919 89.837 0.395 2.83 4 47.3 10.4 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 7.163 14.326 7.1735 107.2 7.2 7.4 5.6 2 1 0 0 7.418 14.835 6.92848 21.9 1.5 1.5 5.6 3 1 1 0 8.243 16.485 6.23906 602.7 40.7 41.4 5.6 4 1 2 0 10.34 20.679 4.98355 38.8 2.6 2.7 5.6 5 0 0 1 10.719 21.437 4.8093 146.2 9.9 10.0 5.6 6 1 0 -1 11.411 22.822 4.52091 91.4 6.2 6.3 5.6 7 1 1 -1 11.972 23.945 4.3119 105.8 7.2 7.2 5.6 8 0 2 1 12.939 25.878 3.99463 688.4 46.5 47.0 5.6 9 1 2 -1 13.525 27.049 3.82472 733.3 49.6 50.0 5.6 10 0 4 0 14.441 28.882 3.58675 35.0 2.4 2.4 5.6 11 1 0 1 14.58 29.16 3.5532 132.0 8.9 9.0 5.6 12 2 0 0 14.963 29.926 3.46424 146.9 9.9 10.0 5.6 13 1 1 1 15.031 30.062 3.449 23.6 1.6 1.6 5.6 14 2 1 0 15.404 30.807 3.36746 338.9 22.9 23.0 5.6 15 1 3 -1 15.799 31.598 3.2853 36.1 2.4 2.5 5.6 16 2 0 -1 16.114 32.227 3.22275 103.6 7.0 7.0 5.6 17 1 4 0 16.309 32.618 3.18524 615.9 41.6 41.8 5.6 18 2 2 0 16.662 33.324 3.11953 698.8 47.2 47.4 5.7 19 2 2 -1 17.714 35.428 2.93971 171.3 11.6 11.6 5.7 20 0 4 1 18.125 36.251 2.87519 183.1 12.4 12.4 5.7 21 1 3 1 18.277 36.554 2.85213 1479.2 100.0 100.0 5.7 22 1 4 -1 18.562 37.124 2.80985 235.8 15.9 15.9 5.7 23 2 3 0 18.592 37.183 2.80551 24.1 1.6 1.6 5.7 24 2 3 -1 19.553 39.107 2.67255 1359.5 91.9 91.7 5.7 25 1 5 0 19.719 39.437 2.65104 120.4 8.1 8.1 5.7 26 1 4 1 20.753 41.507 2.52427 95.9 6.5 6.5 5.7 27 2 1 1 21.081 42.161 2.48683 175.1 11.8 11.8 5.7 28 1 0 -2 21.203 42.405 2.47315 446.2 30.2 30.0 5.7 29 0 5 1 21.284 42.568 2.46414 135.2 9.1 9.1 5.7 30 1 5 -1 21.667 43.334 2.42263 68.3 4.6 4.6 5.7 31 2 4 -1 21.908 43.817 2.39722 63.0 4.3 4.2 5.7 32 0 6 0 21.967 43.933 2.39117 185.8 12.6 12.5 5.7 33 0 1 2 22.158 44.316 2.37157 70.7 4.8 4.7 5.7 34 1 2 -2 22.492 44.985 2.3381 68.9 4.7 4.6 5.7 35 3 0 -1 22.646 45.292 2.32307 24.8 1.7 1.7 5.7 36 3 0 0 22.786 45.573 2.30949 20.3 1.4 1.4 5.7 37 3 1 -1 22.958 45.915 2.2932 148.7 10.1 10.0 5.7 38 3 1 0 23.097 46.193 2.28014 105.8 7.1 7.1 5.7 39 1 6 0 23.311 46.622 2.26034 105.1 7.1 7.0 5.7 40 1 5 1 23.62 47.241 2.23237 534.0 36.1 35.7 5.7 41 2 5 0 23.877 47.753 2.2098 105.3 7.1 7.0 5.7 42 2 5 -1 24.669 49.338 2.14305 114.0 7.7 7.6 5.7 43 1 0 2 25.048 50.097 2.11264 51.8 3.5 3.5 5.7 44 1 1 2 25.338 50.675 2.0901 113.2 7.7 7.5 5.8 45 3 3 0 25.474 50.947 2.07969 100.5 6.8 6.7 5.8 46 1 2 2 26.191 52.382 2.02658 203.9 13.8 13.5 5.8 47 0 4 2 26.605 53.209 1.99732 148.3 10.0 9.8 5.8 48 1 6 1 26.8 53.601 1.98379 44.6 3.0 3.0 5.8 49 3 4 0 27.428 54.857 1.94178 30.5 2.1 2.0 5.8 50 1 3 2 27.572 55.143 1.93248 25.8 1.7 1.7 5.8 51 3 0 -2 27.673 55.345 1.92598 160.8 10.9 10.6 5.8 52 2 6 -1 27.761 55.522 1.92032 31.2 2.1 2.1 5.8 53 2 4 -2 27.887 55.774 1.91236 136.9 9.3 9.1 5.8 54 3 1 -2 27.942 55.885 1.90885 63.3 4.3 4.2 5.8 55 2 5 1 28.155 56.311 1.8956 37.9 2.6 2.5 5.8 56 3 1 1 28.304 56.608 1.88646 80.7 5.5 5.3 5.8 57 1 7 -1 28.631 57.262 1.8667 20.4 1.4 1.3 5.8 58 3 2 -2 28.742 57.484 1.8601 133.5 9.0 8.8 5.8 59 0 5 2 29.033 58.067 1.84304 61.8 4.2 4.1 5.8 60 3 5 -1 29.696 59.393 1.80552 81.5 5.5 5.4 5.8 61 3 5 0 29.812 59.625 1.79913 58.6 4.0 3.9 5.8 62 0 8 0 29.918 59.836 1.79337 26.2 1.8 1.7 5.8 63 2 0 2 30.23 60.459 1.7766 254.2 17.2 16.7 5.8 64 3 3 1 30.389 60.779 1.76814 48.3 3.3 3.2 5.8 65 4 1 -1 30.441 60.881 1.76545 79.4 5.4 5.2 5.8 66 2 1 2 30.485 60.97 1.76313 33.5 2.3 2.2 5.8 67 1 8 0 31.01 62.021 1.73616 52.1 3.5 3.4 5.8 68 2 7 -1 31.144 62.288 1.72945 42.8 2.9 2.8 5.8 69 1 6 -2 31.354 62.707 1.71906 230.7 15.6 15.1 5.8 70 1 5 2 31.72 63.439 1.70126 46.0 3.1 3.0 5.9 71 0 6 2 31.839 63.678 1.69556 21.1 1.4 1.4 5.9 72 0 8 1 32.161 64.323 1.68035 63.8 4.3 4.2 5.9 73 1 8 -1 32.45 64.9 1.66701 141.9 9.6 9.3 5.9 74 2 3 2 32.486 64.971 1.66539 64.2 4.3 4.2 5.9 75 3 6 0 32.578 65.156 1.66118 57.0 3.9 3.7 5.9 76 2 6 -2 32.992 65.984 1.64265 103.4 7.0 6.7 5.9 77 4 3 0 33.314 66.628 1.62859 49.8 3.4 3.2 5.9 78 1 2 -3 33.659 67.318 1.61382 28.1 1.9 1.8 5.9 79 4 0 -2 33.717 67.434 1.61138 143.1 9.7 9.3 5.9 80 4 1 -2 33.958 67.915 1.60131 40.0 2.7 2.6 5.9 81 3 5 -2 34.01 68.02 1.59915 22.1 1.5 1.4 5.9 82 2 8 0 34.168 68.337 1.59262 240.4 16.3 15.6 5.9 83 2 7 1 34.2 68.4 1.59133 33.0 2.2 2.1 5.9 84 3 5 1 34.333 68.666 1.58591 411.8 27.8 26.7 5.9 85 2 2 -3 34.502 69.005 1.57909 48.9 3.3 3.2 5.9 86 4 2 -2 34.675 69.35 1.5722 16.6 1.1 1.1 5.9 87 2 8 -1 34.805 69.609 1.56708 29.5 2.0 1.9 5.9 88 1 3 -3 34.856 69.711 1.56508 17.9 1.2 1.2 5.9 89 4 4 0 34.992 69.984 1.55976 38.0 2.6 2.5 5.9 90 3 7 -1 35.59 71.181 1.53691 63.4 4.3 4.1 5.9 91 2 3 -3 35.686 71.372 1.53334 57.0 3.9 3.7 5.9 92 4 3 -2 35.856 71.712 1.52702 24.8 1.7 1.6 5.9 93 0 3 3 36.049 72.097 1.51997 202.7 13.7 13.1 5.9 94 0 9 1 36.237 72.474 1.51315 46.9 3.2 3.0 5.9 95 4 5 -1 36.27 72.54 1.51197 288.4 19.5 18.6 5.9 96 2 5 2 36.31 72.621 1.51051 21.5 1.5 1.4 6.0 97 4 1 1 36.487 72.974 1.50421 74.1 5.0 4.8 6.0 98 3 0 2 36.932 73.864 1.48862 36.4 2.5 2.3 6.0 99 4 2 1 37.183 74.366 1.48001 15.8 1.1 1.0 6.0 100 2 4 -3 37.316 74.633 1.47549 67.1 4.5 4.3 6.0 101 1 1 3 37.359 74.717 1.47406 60.4 4.1 3.9 6.0 102 1 7 2 37.448 74.896 1.47106 17.7 1.2 1.1 6.0 103 4 4 -2 37.484 74.967 1.46986 16.6 1.1 1.1 6.0 104 1 9 1 37.951 75.902 1.45444 17.5 1.2 1.1 6.0 105 1 8 -2 38.031 76.062 1.45184 30.5 2.1 2.0 6.0 106 4 3 1 38.333 76.666 1.44214 33.6 2.3 2.1 6.0 107 3 3 -3 38.486 76.971 1.4373 122.5 8.3 7.8 6.0 108 1 5 -3 38.576 77.152 1.43446 359.1 24.3 22.9 6.0 109 5 1 -1 38.914 77.828 1.42395 64.5 4.4 4.1 6.0 110 3 3 2 38.999 77.997 1.42135 29.2 2.0 1.9 6.0 111 2 5 -3 39.376 78.753 1.40991 35.8 2.4 2.3 6.0 112 4 5 -2 39.541 79.082 1.40499 62.0 4.2 3.9 6.0 113 3 7 -2 39.59 79.18 1.40353 20.5 1.4 1.3 6.0 114 0 5 3 39.727 79.454 1.3995 24.9 1.7 1.6 6.0 115 3 4 2 40.584 81.168 1.37491 31.6 2.1 2.0 6.1 116 5 3 -1 40.726 81.451 1.37095 24.4 1.6 1.5 6.1 117 1 8 2 40.861 81.722 1.3672 143.4 9.7 9.1 6.1 118 5 2 0 41.104 82.208 1.36055 59.4 4.0 3.7 6.1 119 5 1 -2 41.426 82.852 1.35186 17.6 1.2 1.1 6.1 120 2 9 1 41.572 83.145 1.34796 30.9 2.1 1.9 6.1 121 2 7 2 41.781 83.562 1.34246 18.6 1.3 1.2 6.1 122 4 5 1 41.951 83.901 1.33803 46.7 3.2 2.9 6.1 123 5 2 -2 42.099 84.197 1.3342 19.7 1.3 1.2 6.1 124 5 3 0 42.225 84.45 1.33095 48.7 3.3 3.1 6.1 125 2 1 3 42.392 84.784 1.3267 25.1 1.7 1.6 6.1 126 4 7 0 42.54 85.08 1.32296 17.4 1.2 1.1 6.1 127 3 9 -1 42.883 85.766 1.31441 38.5 2.6 2.4 6.1 128 3 8 -2 42.961 85.922 1.31248 105.6 7.1 6.6 6.1 129 5 3 -2 43.216 86.432 1.30626 19.9 1.3 1.2 6.1 130 1 7 -3 43.974 87.948 1.28823 21.9 1.5 1.4 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) |