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 *** *********************** OMINELITE 3, syn Fe++Al(3)BSiO(9) Orthorhombic P bnm Z = 4 Pbnm 2 .12 .9 Ref.Str.: Dzikowski T.J., Groat L.A., Grew E.S. (2007) * Amer. Mineral. 92, 863-872 R: See U(ij) in the original. N.A.D. Initial data from BDM-file Lattice parameters (cub. angs.,degr.): a = 10.363 alpha = 90.0 b = 11.129 beta = 90.0 c = 5.769 gamma = 90.0 Unit cell volume (cub. angs.) = 665.34 Molar volume ( cub.cm/mol.) = 100.19 Co-ordinates, thermal parameters, occupation for atomic positions: NoP x/a y/b z/c B(j) atom / occupation 1 0.0958 0.2191 0.25 0.0 Fe = 1.00 2 0.0 0.0 0.0 0.0 Al = 1.00 3 0.5 0.0 0.0 0.0 Al = 1.00 4 0.2267 0.4484 0.25 0.0 Al = 1.00 5 0.2509 0.0003 0.75 0.0 B = 1.00 6 0.435 0.2636 0.25 0.0 Si = 1.00 7 0.2776 0.2909 0.25 0.0 O = 1.00 8 0.1174 0.0193 0.25 0.0 O = 1.00 9 0.121 0.9956 0.75 0.0 O = 1.00 10 0.4741 0.1218 0.25 0.0 O = 1.00 11 0.5463 0.0964 0.75 0.0 O = 1.00 12 0.9933 0.1697 0.9762 0.0 O = 1.00 13 0.1808 0.5011 0.9548 0.0 O = 1.00 Co-ordinates for all atomic positions : No NoP x/a y/b z/c 1 1 0.0958 0.2191 0.25 2 2 0.0 0.0 0.0 3 3 0.5 0.0 0.0 4 4 0.2267 0.4484 0.25 5 5 0.2509 0.0003 0.75 6 6 0.435 0.2636 0.25 7 7 0.2776 0.2909 0.25 8 8 0.1174 0.0193 0.25 9 9 0.121 0.9956 0.75 10 10 0.4741 0.1218 0.25 11 11 0.5463 0.0964 0.75 12 12 0.9933 0.1697 0.9762 13 13 0.1808 0.5011 0.9548 14 1 0.9042 0.7809 0.75 15 4 0.7733 0.5516 0.75 16 5 0.7491 0.9997 0.25 17 6 0.565 0.7364 0.75 18 7 0.7224 0.7091 0.75 19 8 0.8826 0.9807 0.75 20 9 0.879 0.0044 0.25 21 10 0.5259 0.8782 0.75 22 11 0.4537 0.9036 0.25 23 12 0.0067 0.8303 0.0238 24 13 0.8192 0.4989 0.0452 25 2 0.0 0.0 0.5 26 3 0.5 0.0 0.5 27 12 0.0067 0.8303 0.4762 28 13 0.8192 0.4989 0.4548 29 12 0.9933 0.1697 0.5238 30 13 0.1808 0.5011 0.5452 31 1 0.4042 0.7191 0.25 32 2 0.5 0.5 0.0 33 3 0.0 0.5 0.0 34 4 0.2733 0.9484 0.25 35 5 0.2491 0.5003 0.75 36 6 0.065 0.7636 0.25 37 7 0.2224 0.7909 0.25 38 8 0.3826 0.5193 0.25 39 9 0.379 0.4956 0.75 40 10 0.0259 0.6218 0.25 41 11 0.9537 0.5964 0.75 42 12 0.5067 0.6697 0.9762 43 13 0.3192 0.0011 0.9548 44 1 0.5958 0.2809 0.75 45 4 0.7267 0.0516 0.75 46 5 0.7509 0.4997 0.25 47 6 0.935 0.2364 0.75 48 7 0.7776 0.2091 0.75 49 8 0.6174 0.4807 0.75 50 9 0.621 0.5044 0.25 51 10 0.9741 0.3782 0.75 52 11 0.0463 0.4036 0.25 53 12 0.4933 0.3303 0.0238 54 13 0.6808 0.9989 0.0452 55 2 0.5 0.5 0.5 56 3 0.0 0.5 0.5 57 12 0.4933 0.3303 0.4762 58 13 0.6808 0.9989 0.4548 59 12 0.5067 0.6697 0.5238 60 13 0.3192 0.0011 0.5452 X-ray density (g/cm cub.) = 3.19 MU (1/cm) = 141.974 Mass attenuation coefficient (cm**2/g) = 44.501 Selected interatomic distances (cation-anion,anion-anion): NoP Atom Rad.sph. C.N. Distance NoP N. (angs.) (angs.) 1 Fe 2.592 5 2.0467 7 2.2346 8 1.9811 12 1.9811 12 2.1166 11 2 Al 2.316 6 1.899 8 1.9118 9 1.8945 12 1.899 8 1.9118 9 1.8945 12 3 Al 2.316 6 1.9974 10 1.8605 11 1.9974 10 1.8605 11 1.8915 13 1.8915 13 4 Al 2.316 5 1.8305 7 1.8631 13 1.8631 13 1.7981 8 1.9347 11 5 B 1.872 3 1.3472 9 1.3774 13 1.3774 13 6 Si 2.1 4 1.6593 7 1.6291 10 1.6185 12 1.6185 12 7 O 3.264 7 2.7728 10 3.0629 13 3.0629 13 2.765 8 2.7053 11 2.6254 12 2.6254 12 8 O 3.264 10 2.8968 9 2.8968 9 2.6361 12 2.4761 9 2.728 12 2.728 12 2.6361 12 2.765 7 2.7047 13 2.7047 13 9 O 3.264 9 2.8968 8 2.8968 8 2.6845 12 2.4761 8 2.6984 12 2.6984 12 2.6845 12 2.3705 13 2.3705 13 10 O 3.264 10 2.7728 7 2.9933 11 2.9933 11 2.4375 11 2.6981 13 2.6699 12 2.8027 13 2.6699 12 2.8027 13 2.6981 13 11 O 3.264 10 2.9933 10 2.9933 10 2.4375 10 2.8386 13 2.7053 7 3.0942 12 2.4537 13 3.0942 12 2.4537 13 2.8386 13 12 O 3.264 9 2.6361 8 2.6845 9 2.728 8 2.6984 9 3.1591 12 2.6099 12 2.6254 7 2.6699 10 3.0942 11 13 O 3.264 8 3.0629 7 2.363 13 2.7047 8 2.3705 9 2.6981 10 2.8386 11 2.8027 10 2.4537 11 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 1 0 6.773 13.546 0.066 140.82 4 17.0 36.9 2 0 2 0 9.25 18.5 0.09 74.48 2 79.0 210.1 3 2 0 0 9.941 19.881 0.096 64.2 2 147.8 633.5 4 1 0 1 10.221 20.443 0.099 60.6 4 128.0 897.0 5 1 2 0 10.513 21.025 0.102 57.17 4 24.5 30.9 6 2 1 0 10.977 21.954 0.106 52.26 4 46.6 102.5 7 1 1 1 11.233 22.467 0.109 49.81 8 21.2 40.5 8 0 2 1 12.905 25.81 0.125 37.24 4 9.8 3.2 9 2 2 0 13.643 27.287 0.132 33.1 4 51.5 79.2 10 1 2 1 13.853 27.706 0.134 32.05 8 80.9 379.2 11 2 1 1 14.215 28.43 0.137 30.34 8 3.2 0.6 12 1 3 0 14.839 29.677 0.143 27.68 4 70.9 125.9 13 3 1 0 15.731 31.462 0.152 24.42 4 22.8 11.4 14 2 2 1 16.396 32.792 0.158 22.33 8 40.0 64.7 15 2 3 0 17.25 34.5 0.166 19.99 4 8.1 1.2 16 1 3 1 17.42 34.84 0.167 19.57 8 0.6 0.0 17 3 0 1 17.566 35.133 0.169 19.22 4 112.9 221.4 18 3 2 0 17.745 35.489 0.17 18.8 4 48.2 39.5 19 0 0 2 18.065 36.13 0.173 18.07 2 132.5 143.3 20 3 1 1 18.2 36.399 0.175 17.78 8 40.9 53.8 21 0 4 0 18.753 37.506 0.18 16.65 2 237.5 424.4 22 1 1 2 19.376 38.752 0.185 15.49 8 6.0 1.0 23 1 4 0 19.443 38.887 0.186 15.37 4 38.8 20.9 24 2 3 1 19.55 39.1 0.187 15.18 8 45.0 55.4 25 3 2 1 19.995 39.991 0.191 14.44 8 97.9 250.3 26 4 0 0 20.197 40.394 0.193 14.12 2 90.7 52.5 27 0 2 2 20.443 40.886 0.195 13.75 4 128.0 203.5 28 3 3 0 20.721 41.442 0.198 13.34 4 12.1 1.8 29 4 1 0 20.762 41.524 0.198 13.28 4 18.3 4.0 30 2 0 2 20.788 41.575 0.198 13.24 4 60.2 43.4 31 0 4 1 20.911 41.823 0.2 13.07 4 53.7 34.1 32 1 2 2 21.087 42.174 0.201 12.83 8 16.7 6.5 33 2 1 2 21.339 42.679 0.203 12.49 8 48.5 53.2 34 2 4 0 21.402 42.803 0.204 12.41 4 7.3 0.6 35 1 4 1 21.544 43.087 0.205 12.23 8 35.1 27.2 36 4 2 0 22.386 44.771 0.213 11.21 4 79.2 63.6 37 3 3 1 22.724 45.449 0.216 10.84 8 0.8 0.0 38 4 1 1 22.762 45.524 0.216 10.8 8 6.6 0.9 39 2 2 2 22.93 45.86 0.218 10.62 8 87.2 146.1 40 2 4 1 23.358 46.716 0.222 10.19 8 1.8 0.1 41 1 3 2 23.714 47.428 0.225 9.84 8 53.6 51.1 42 1 5 0 24.269 48.538 0.23 9.34 4 138.2 161.2 43 4 2 1 24.28 48.559 0.23 9.33 8 48.7 40.0 44 3 1 2 24.325 48.649 0.23 9.29 8 92.2 142.7 45 3 4 0 24.381 48.762 0.231 9.24 4 24.5 5.0 46 4 3 0 24.905 49.81 0.235 8.81 4 21.0 3.5 47 2 3 2 25.408 50.816 0.24 8.41 8 8.2 1.0 48 3 2 2 25.772 51.544 0.243 8.15 8 50.9 38.2 49 2 5 0 25.936 51.872 0.244 8.03 4 38.5 10.8 50 5 1 0 26.039 52.078 0.245 7.96 4 90.8 59.3 51 1 5 1 26.059 52.118 0.246 7.94 8 38.0 20.7 52 3 4 1 26.165 52.33 0.246 7.87 8 56.3 45.1 53 0 4 2 26.53 53.06 0.25 7.63 4 32.2 7.1 54 4 3 1 26.663 53.327 0.251 7.54 8 15.2 3.1 55 1 4 2 27.06 54.121 0.254 7.29 8 41.3 22.4 56 5 0 1 27.295 54.59 0.256 7.15 4 110.5 78.8 57 5 2 0 27.421 54.842 0.257 7.07 4 35.1 7.9 58 2 5 1 27.648 55.296 0.259 6.94 8 92.7 107.9 59 4 0 2 27.65 55.299 0.259 6.94 4 116.1 84.6 60 5 1 1 27.747 55.493 0.26 6.89 8 75.6 71.1 61 3 3 2 28.065 56.13 0.263 6.71 8 17.0 3.5 62 4 1 2 28.097 56.195 0.263 6.69 8 25.4 7.8 63 4 4 0 28.148 56.297 0.264 6.67 4 26.2 4.1 64 1 0 3 28.234 56.469 0.264 6.62 4 128.8 99.2 65 3 5 0 28.559 57.117 0.267 6.45 4 41.3 9.9 66 2 4 2 28.611 57.223 0.268 6.42 8 42.9 21.4 67 1 1 3 28.676 57.352 0.268 6.39 8 37.6 16.3 68 0 6 0 28.831 57.663 0.27 6.31 2 89.1 22.6 69 5 2 1 29.073 58.147 0.272 6.2 8 24.1 6.5 70 1 6 0 29.334 58.667 0.274 6.07 4 10.9 0.7 71 4 2 2 29.414 58.828 0.275 6.03 8 5.4 0.3 72 0 2 3 29.481 58.961 0.275 6.0 4 12.1 0.8 73 5 3 0 29.627 59.254 0.276 5.94 4 62.8 21.2 74 4 4 1 29.774 59.548 0.278 5.87 8 12.3 1.6 75 1 2 3 29.976 59.953 0.279 5.78 8 22.0 5.1 76 3 5 1 30.17 60.341 0.281 5.7 8 23.5 5.7 77 2 1 3 30.173 60.345 0.281 5.7 8 25.3 6.6 78 0 6 1 30.434 60.868 0.283 5.59 4 4.0 0.1 79 2 6 0 30.81 61.621 0.286 5.44 4 37.4 6.9 80 1 6 1 30.92 61.841 0.287 5.4 8 63.3 39.1 81 1 5 2 30.989 61.978 0.288 5.37 8 107.4 112.0 82 3 4 2 31.084 62.168 0.289 5.34 8 27.4 7.2 83 6 0 0 31.19 62.38 0.289 5.3 2 1.4 0.0 84 5 3 1 31.205 62.409 0.29 5.29 8 56.2 30.2 85 2 2 3 31.435 62.87 0.292 5.21 8 46.9 20.7 86 4 3 2 31.531 63.063 0.292 5.17 8 20.7 4.0 87 6 1 0 31.606 63.212 0.293 5.14 4 66.5 20.6 88 4 5 0 31.992 63.984 0.296 5.01 4 3.7 0.1 89 1 3 3 32.072 64.143 0.297 4.98 8 3.7 0.1 90 3 0 3 32.165 64.329 0.298 4.95 4 74.3 24.7 91 2 6 1 32.354 64.708 0.299 4.89 8 46.6 19.2 92 2 5 2 32.421 64.843 0.3 4.87 8 30.9 8.4 93 5 1 2 32.511 65.022 0.3 4.84 8 59.6 31.0 94 5 4 0 32.558 65.115 0.301 4.82 4 16.8 1.2 95 3 1 3 32.574 65.148 0.301 4.82 8 15.8 2.2 96 6 2 0 32.837 65.674 0.303 4.73 4 129.6 71.8 97 6 1 1 33.129 66.259 0.306 4.65 8 39.9 13.4 98 3 6 0 33.186 66.371 0.306 4.63 4 88.3 32.6 99 2 3 3 33.479 66.957 0.308 4.54 8 61.3 30.9 100 4 5 1 33.506 67.012 0.309 4.54 8 53.7 23.6 101 5 2 2 33.724 67.449 0.31 4.47 8 19.7 3.1 102 3 2 3 33.786 67.572 0.311 4.46 8 92.3 68.6 103 5 4 1 34.058 68.117 0.313 4.38 8 20.9 3.5 104 6 2 1 34.332 68.663 0.315 4.31 8 4.1 0.1 105 4 4 2 34.371 68.741 0.316 4.3 8 105.9 87.1 106 0 4 3 34.432 68.864 0.316 4.29 4 62.6 15.2 107 3 6 1 34.673 69.346 0.318 4.22 8 43.8 14.6 108 1 7 0 34.694 69.387 0.318 4.22 4 53.6 11.0 109 3 5 2 34.738 69.476 0.319 4.21 8 54.9 22.9 110 6 3 0 34.838 69.676 0.319 4.18 4 74.4 20.9 111 1 4 3 34.888 69.776 0.32 4.17 8 60.5 27.6 112 0 6 2 34.983 69.965 0.32 4.15 4 162.1 98.5 113 1 6 2 35.436 70.871 0.324 4.04 8 11.9 1.0 114 5 3 2 35.701 71.403 0.326 3.98 8 51.2 18.9 115 3 3 3 35.762 71.523 0.327 3.97 8 1.9 0.0 116 4 1 3 35.79 71.58 0.327 3.96 8 28.8 6.0 117 2 7 0 36.05 72.1 0.329 3.91 4 13.5 0.6 118 5 5 0 36.135 72.271 0.33 3.89 4 66.2 15.4 119 1 7 1 36.152 72.303 0.33 3.89 8 21.3 3.2 120 2 4 3 36.242 72.483 0.33 3.87 8 11.1 0.9 121 6 3 1 36.294 72.587 0.331 3.86 8 5.1 0.2 122 4 6 0 36.376 72.752 0.332 3.84 4 70.3 17.2 123 2 6 2 36.781 73.561 0.335 3.76 8 106.4 77.0 124 4 2 3 36.953 73.906 0.336 3.73 8 25.4 4.3 125 6 0 2 37.129 74.259 0.337 3.7 4 221.7 164.1 126 2 7 1 37.486 74.973 0.34 3.63 8 66.1 28.7 127 6 1 2 37.513 75.026 0.34 3.63 8 47.4 14.8 128 7 1 0 37.554 75.108 0.341 3.62 4 44.1 6.4 129 6 4 0 37.557 75.114 0.341 3.62 4 18.1 1.1 130 5 5 1 37.57 75.141 0.341 3.62 8 3.6 0.1 131 4 6 1 37.808 75.615 0.343 3.58 8 95.9 59.4 132 4 5 2 37.87 75.741 0.343 3.57 8 14.9 1.4 133 3 7 0 38.267 76.535 0.346 3.5 4 26.9 2.3 134 0 0 4 38.33 76.659 0.347 3.49 2 293.3 135.7 135 1 5 3 38.369 76.738 0.347 3.48 8 13.7 1.2 136 5 4 2 38.396 76.792 0.347 3.48 8 25.1 4.0 137 3 4 3 38.455 76.91 0.348 3.47 8 43.3 11.8 138 7 0 1 38.592 77.183 0.349 3.45 4 40.4 5.1 139 6 2 2 38.657 77.314 0.349 3.44 8 13.7 1.2 140 7 2 0 38.697 77.395 0.349 3.43 4 18.0 1.0 141 4 3 3 38.862 77.724 0.351 3.41 8 17.4 1.9 142 7 1 1 38.971 77.941 0.352 3.39 8 4.6 0.1 143 6 4 1 38.973 77.947 0.352 3.39 8 45.6 12.7 144 3 6 2 38.983 77.966 0.352 3.39 8 81.5 40.7 145 1 1 4 39.146 78.292 0.353 3.37 8 14.2 1.2 146 5 0 3 39.384 78.767 0.355 3.34 4 69.3 14.5 147 3 7 1 39.676 79.352 0.357 3.3 8 6.5 0.3 148 2 5 3 39.678 79.356 0.357 3.3 8 52.7 16.5 149 5 1 3 39.76 79.521 0.358 3.29 8 45.8 12.5 150 0 2 4 39.842 79.685 0.358 3.27 4 22.1 1.4 151 0 8 0 40.014 80.028 0.359 3.25 2 104.6 16.1 152 2 0 4 40.073 80.146 0.36 3.25 4 93.5 25.7 153 7 2 1 40.102 80.203 0.36 3.24 8 35.3 7.3 154 1 2 4 40.276 80.551 0.361 3.22 8 13.3 1.0 155 5 6 0 40.327 80.653 0.362 3.21 4 42.5 5.2 156 1 7 2 40.404 80.808 0.362 3.21 8 49.4 14.2 157 1 8 0 40.447 80.894 0.363 3.2 4 19.6 1.1 158 2 1 4 40.448 80.896 0.363 3.2 8 31.5 5.7 159 6 3 2 40.541 81.082 0.363 3.19 8 68.5 27.0 160 7 3 0 40.581 81.162 0.364 3.18 4 38.2 4.2 161 5 2 3 40.886 81.772 0.366 3.15 8 34.9 6.9 162 6 5 0 40.958 81.916 0.366 3.14 4 6.0 0.1 163 4 7 0 41.307 82.614 0.369 3.11 4 0.9 0.0 164 0 8 1 41.407 82.814 0.37 3.1 4 21.8 1.3 165 4 4 3 41.491 82.982 0.37 3.09 8 4.5 0.1 166 2 2 4 41.569 83.139 0.371 3.08 8 13.2 1.0 167 2 7 2 41.697 83.394 0.372 3.07 8 18.8 2.0 168 5 6 1 41.717 83.435 0.372 3.06 8 45.9 11.7 169 2 8 0 41.74 83.479 0.372 3.06 4 76.6 16.2 170 5 5 2 41.779 83.557 0.372 3.06 8 50.0 13.8 171 3 5 3 41.836 83.672 0.373 3.05 8 32.9 6.0 172 1 8 1 41.837 83.674 0.373 3.05 8 35.0 6.7 173 7 3 1 41.97 83.941 0.374 3.04 8 40.0 8.8 174 4 6 2 42.01 84.019 0.374 3.04 8 88.3 42.8 175 0 6 3 42.067 84.134 0.375 3.03 4 5.7 0.1 176 1 3 4 42.143 84.286 0.375 3.03 8 33.3 6.1 177 6 5 1 42.345 84.69 0.377 3.01 8 25.7 3.6 178 1 6 3 42.496 84.992 0.378 2.99 8 29.3 4.6 179 3 1 4 42.599 85.197 0.378 2.99 8 2.3 0.0 180 4 7 1 42.692 85.384 0.379 2.98 8 62.3 20.9 181 5 3 3 42.748 85.496 0.379 2.97 8 46.3 11.5 182 2 8 1 43.123 86.245 0.382 2.94 8 2.7 0.0 183 7 1 2 43.146 86.292 0.382 2.94 8 12.4 0.8 184 6 4 2 43.149 86.297 0.382 2.94 8 147.1 115.1 185 7 4 0 43.188 86.376 0.383 2.94 4 44.7 5.3 186 2 3 4 43.427 86.855 0.384 2.92 8 7.0 0.3 187 8 0 0 43.67 87.34 0.386 2.91 2 70.5 6.5 188 3 2 4 43.711 87.423 0.386 2.9 8 33.2 5.8 189 2 6 3 43.779 87.559 0.387 2.9 8 40.1 8.4 190 3 7 2 43.838 87.677 0.387 2.89 8 39.3 8.1 191 3 8 0 43.881 87.761 0.387 2.89 4 22.5 1.3 192 8 1 0 44.04 88.081 0.389 2.88 4 58.7 9.0 193 7 2 2 44.257 88.515 0.39 2.87 8 5.2 0.1 194 0 4 4 44.311 88.623 0.39 2.87 4 146.3 55.5 195 6 1 3 44.485 88.97 0.392 2.86 8 48.0 11.9 196 7 4 1 44.567 89.134 0.392 2.85 8 53.3 14.6 197 1 4 4 44.738 89.477 0.393 2.84 8 32.2 5.3 198 4 5 3 44.831 89.661 0.394 2.84 8 69.3 24.6 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 1 1 0 6.773 13.546 7.5841 36.9 4.1 4.1 5.6 2 0 2 0 9.25 18.5 5.5645 210.1 23.4 23.5 5.6 3 2 0 0 9.941 19.881 5.1815 633.5 70.6 70.7 5.6 4 1 0 1 10.221 20.443 5.04058 897.0 100.0 100.0 5.6 5 1 2 0 10.513 21.025 4.90245 30.9 3.4 3.4 5.6 6 2 1 0 10.977 21.954 4.69733 102.5 11.4 11.4 5.6 7 1 1 1 11.233 22.467 4.59158 40.5 4.5 4.5 5.6 8 2 2 0 13.643 27.287 3.79205 79.2 8.8 8.8 5.6 9 1 2 1 13.853 27.706 3.73575 379.2 42.3 42.0 5.6 10 1 3 0 14.839 29.677 3.49263 125.9 14.0 13.9 5.6 11 3 1 0 15.731 31.462 3.29907 11.4 1.3 1.3 5.6 12 2 2 1 16.396 32.792 3.16879 64.7 7.2 7.1 5.6 13 3 0 1 17.566 35.133 2.96367 221.4 24.7 24.4 5.7 14 3 2 0 17.745 35.489 2.93482 39.5 4.4 4.3 5.7 15 0 0 2 18.065 36.13 2.8845 143.3 16.0 15.8 5.7 16 3 1 1 18.2 36.399 2.86386 53.8 6.0 5.9 5.7 17 0 4 0 18.753 37.506 2.78225 424.4 47.3 46.7 5.7 18 1 4 0 19.443 38.887 2.68709 20.9 2.3 2.3 5.7 19 2 3 1 19.55 39.1 2.673 55.4 6.2 6.1 5.7 20 3 2 1 19.995 39.991 2.61579 250.3 27.9 27.5 5.7 21 4 0 0 20.197 40.394 2.59075 52.5 5.8 5.8 5.7 22 0 2 2 20.443 40.886 2.56088 203.5 22.7 22.3 5.7 23 2 0 2 20.788 41.575 2.52029 47.4 5.3 5.2 5.7 24 0 4 1 20.911 41.823 2.50603 34.1 3.8 3.7 5.7 25 2 1 2 21.339 42.679 2.45805 53.2 5.9 5.8 5.7 26 1 4 1 21.544 43.087 2.43582 27.2 3.0 3.0 5.7 27 4 2 0 22.386 44.771 2.34867 63.6 7.1 6.9 5.7 28 2 2 2 22.93 45.86 2.29579 146.1 16.3 15.9 5.7 29 1 3 2 23.714 47.428 2.22406 51.1 5.7 5.6 5.7 30 1 5 0 24.269 48.538 2.17617 201.3 22.4 21.9 5.7 31 3 1 2 24.325 48.649 2.17152 142.7 15.9 15.5 5.7 32 3 2 2 25.772 51.544 2.05721 38.2 4.3 4.1 5.8 33 2 5 0 25.936 51.872 2.0451 10.8 1.2 1.2 5.8 34 5 1 0 26.039 52.078 2.03757 80.0 8.9 8.7 5.8 35 3 4 1 26.165 52.33 2.02845 45.1 5.0 4.9 5.8 36 1 4 2 27.06 54.121 1.96615 22.4 2.5 2.4 5.8 37 5 0 1 27.295 54.59 1.95054 78.8 8.8 8.5 5.8 38 2 5 1 27.648 55.296 1.92756 192.5 21.5 20.7 5.8 39 5 1 1 27.747 55.493 1.92125 71.1 7.9 7.7 5.8 40 1 0 3 28.234 56.469 1.89072 99.2 11.1 10.7 5.8 41 3 5 0 28.559 57.117 1.87102 9.9 1.1 1.1 5.8 42 2 4 2 28.611 57.223 1.86788 21.4 2.4 2.3 5.8 43 1 1 3 28.676 57.352 1.86401 16.3 1.8 1.8 5.8 44 0 6 0 28.831 57.663 1.85483 22.6 2.5 2.4 5.8 45 5 3 0 29.627 59.254 1.80936 21.2 2.4 2.3 5.8 46 2 1 3 30.173 60.345 1.77965 12.3 1.4 1.3 5.8 47 1 6 1 30.92 61.841 1.74072 39.1 4.4 4.2 5.8 48 1 5 2 30.989 61.978 1.73723 112.0 12.5 11.9 5.8 49 5 3 1 31.205 62.409 1.72644 30.2 3.4 3.2 5.8 50 2 2 3 31.435 62.87 1.71508 20.7 2.3 2.2 5.9 51 6 1 0 31.606 63.212 1.70674 20.6 2.3 2.2 5.9 52 3 0 3 32.165 64.329 1.68019 24.7 2.8 2.6 5.9 53 2 6 1 32.354 64.708 1.67142 19.2 2.1 2.0 5.9 54 5 1 2 32.511 65.022 1.66423 31.0 3.5 3.3 5.9 55 6 2 0 32.837 65.674 1.64953 71.8 8.0 7.6 5.9 56 6 1 1 33.129 66.259 1.63662 13.4 1.5 1.4 5.9 57 3 6 0 33.186 66.371 1.63415 32.6 3.6 3.5 5.9 58 2 3 3 33.479 66.957 1.6215 54.5 6.1 5.8 5.9 59 3 2 3 33.786 67.572 1.60847 68.6 7.6 7.3 5.9 60 4 4 2 34.371 68.741 1.58439 87.1 9.7 9.2 5.9 61 0 4 3 34.432 68.864 1.58192 15.2 1.7 1.6 5.9 62 3 6 1 34.673 69.346 1.57229 25.6 2.9 2.7 5.9 63 3 5 2 34.738 69.476 1.56972 22.9 2.6 2.4 5.9 64 6 3 0 34.838 69.676 1.56578 20.9 2.3 2.2 5.9 65 1 4 3 34.888 69.776 1.5638 27.6 3.1 2.9 5.9 66 0 6 2 34.983 69.965 1.56012 98.5 11.0 10.4 5.9 67 5 3 2 35.701 71.403 1.53277 18.9 2.1 2.0 5.9 68 5 5 0 36.135 72.271 1.51682 18.6 2.1 1.9 5.9 69 4 6 0 36.376 72.752 1.50816 17.2 1.9 1.8 6.0 70 2 6 2 36.781 73.561 1.49387 77.0 8.6 8.1 6.0 71 6 0 2 37.129 74.259 1.48183 164.1 18.3 17.1 6.0 72 2 7 1 37.486 74.973 1.46976 43.4 4.8 4.5 6.0 73 4 6 1 37.808 75.615 1.45912 59.4 6.6 6.2 6.0 74 0 0 4 38.33 76.659 1.44225 135.7 15.1 14.1 6.0 75 3 4 3 38.455 76.91 1.43827 11.8 1.3 1.2 6.0 76 3 6 2 38.983 77.966 1.42183 53.5 6.0 5.5 6.0 77 5 0 3 39.384 78.767 1.40969 14.5 1.6 1.5 6.0 78 2 5 3 39.678 79.356 1.40094 16.5 1.8 1.7 6.0 79 5 1 3 39.76 79.521 1.39852 12.5 1.4 1.3 6.0 80 0 8 0 40.014 80.028 1.39113 16.1 1.8 1.7 6.0 81 2 0 4 40.073 80.146 1.38943 32.9 3.7 3.4 6.0 82 1 7 2 40.404 80.808 1.37997 14.2 1.6 1.5 6.1 83 6 3 2 40.541 81.082 1.37611 27.0 3.0 2.8 6.1 84 2 8 0 41.74 83.479 1.34355 29.9 3.3 3.1 6.1 85 5 5 2 41.779 83.557 1.34252 13.8 1.5 1.4 6.1 86 1 8 1 41.837 83.674 1.34099 12.7 1.4 1.3 6.1 87 4 6 2 42.01 84.019 1.3365 42.8 4.8 4.4 6.1 88 4 7 1 42.692 85.384 1.31915 20.9 2.3 2.1 6.1 89 5 3 3 42.748 85.496 1.31775 11.5 1.3 1.2 6.1 90 6 4 2 43.149 86.297 1.3079 115.1 12.8 11.7 6.1 91 8 1 0 44.04 88.081 1.28669 9.0 1.0 0.9 6.2 92 0 4 4 44.311 88.623 1.28044 55.5 6.2 5.6 6.2 93 6 1 3 44.485 88.97 1.27649 11.9 1.3 1.2 6.2 94 7 4 1 44.567 89.134 1.27463 14.6 1.6 1.5 6.2 95 4 5 3 44.831 89.661 1.26871 24.6 2.7 2.5 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) |