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 *** *********************** FERROSILITE 6, t-hypersthene, at 900'C, f-pyroxenes, sf-Mg-Fe(Mn)-pyroxenes, s-enstatite FeSiO(3) Orthorhombic P bca Z = 16 Pbca 12 .3 .1991 Ref.Str.: Sueno S., Cameron M., Prewitt C.T. (1976) * Amer. Mineral., 61, 38-53 Initial data from BDM-file Lattice parameters (cub. angs.,degr.): a = 18.596 alpha = 90.0 b = 9.1685 beta = 90.0 c = 5.3113 gamma = 90.0 Unit cell volume (cub. angs.) = 905.56 Molar volume ( cub.cm/mol.) = 34.09 Co-ordinates, thermal parameters, occupation for atomic positions: NoP x/a y/b z/c B(j) atom / occupation 1 0.3749 0.651 0.8968 1.98 Fe = 1.00 2 0.3764 0.4886 0.3926 2.83 Fe = 1.00 3 0.2727 0.3371 0.0675 1.51 Si = 1.00 4 0.4752 0.3358 0.7742 1.47 Si = 1.00 5 0.1856 0.3386 0.0648 2.15 O = 1.00 6 0.3115 0.4917 0.0856 2.54 O = 1.00 7 0.3013 0.247 0.8239 2.57 O = 1.00 8 0.5622 0.3396 0.7731 2.2 O = 1.00 9 0.4342 0.4846 0.7077 2.41 O = 1.00 10 0.45 0.2189 0.5521 2.71 O = 1.00 Co-ordinates for all atomic positions : No NoP x/a y/b z/c 1 1 0.3749 0.651 0.8968 2 2 0.3764 0.4886 0.3926 3 3 0.2727 0.3371 0.0675 4 4 0.4752 0.3358 0.7742 5 5 0.1856 0.3386 0.0648 6 6 0.3115 0.4917 0.0856 7 7 0.3013 0.247 0.8239 8 8 0.5622 0.3396 0.7731 9 9 0.4342 0.4846 0.7077 10 10 0.45 0.2189 0.5521 11 1 0.1251 0.349 0.3968 12 2 0.1236 0.5114 0.8926 13 3 0.2273 0.6629 0.5675 14 4 0.0248 0.6642 0.2742 15 5 0.3144 0.6614 0.5648 16 6 0.1885 0.5083 0.5856 17 7 0.1987 0.753 0.3239 18 8 0.9378 0.6604 0.2731 19 9 0.0658 0.5154 0.2077 20 10 0.05 0.7811 0.0521 21 1 0.1251 0.151 0.8968 22 2 0.1236 0.9886 0.3926 23 3 0.2273 0.8371 0.0675 24 4 0.0248 0.8358 0.7742 25 5 0.3144 0.8386 0.0648 26 6 0.1885 0.9917 0.0856 27 7 0.1987 0.747 0.8239 28 8 0.9378 0.8396 0.7731 29 9 0.0658 0.9846 0.7077 30 10 0.05 0.7189 0.5521 31 1 0.3749 0.849 0.3968 32 2 0.3764 0.0114 0.8926 33 3 0.2727 0.1629 0.5675 34 4 0.4752 0.1642 0.2742 35 5 0.1856 0.1614 0.5648 36 6 0.3115 0.0083 0.5856 37 7 0.3013 0.253 0.3239 38 8 0.5622 0.1604 0.2731 39 9 0.4342 0.0154 0.2077 40 10 0.45 0.2811 0.0521 41 1 0.8749 0.651 0.6032 42 2 0.8764 0.4886 0.1074 43 3 0.7727 0.3371 0.4325 44 4 0.9752 0.3358 0.7258 45 5 0.6856 0.3386 0.4352 46 6 0.8115 0.4917 0.4144 47 7 0.8013 0.247 0.6761 48 8 0.0622 0.3396 0.7269 49 9 0.9342 0.4846 0.7923 50 10 0.95 0.2189 0.9479 51 1 0.6251 0.349 0.1032 52 2 0.6236 0.5114 0.6074 53 3 0.7273 0.6629 0.9325 54 4 0.5248 0.6642 0.2258 55 5 0.8144 0.6614 0.9352 56 6 0.6885 0.5083 0.9144 57 7 0.6987 0.753 0.1761 58 8 0.4378 0.6604 0.2269 59 9 0.5658 0.5154 0.2923 60 10 0.55 0.7811 0.4479 61 1 0.6251 0.151 0.6032 62 2 0.6236 0.9886 0.1074 63 3 0.7273 0.8371 0.4325 64 4 0.5248 0.8358 0.7258 65 5 0.8144 0.8386 0.4352 66 6 0.6885 0.9917 0.4144 67 7 0.6987 0.747 0.6761 68 8 0.4378 0.8396 0.7269 69 9 0.5658 0.9846 0.7923 70 10 0.55 0.7189 0.9479 71 1 0.8749 0.849 0.1032 72 2 0.8764 0.0114 0.6074 73 3 0.7727 0.1629 0.9325 74 4 0.9752 0.1642 0.2258 75 5 0.6856 0.1614 0.9352 76 6 0.8115 0.0083 0.9144 77 7 0.8013 0.253 0.1761 78 8 0.0622 0.1604 0.2269 79 9 0.9342 0.0154 0.2923 80 10 0.95 0.2811 0.4479 X-ray density (g/cm cub.) = 3.87 MU (1/cm) = 188.4 Mass attenuation coefficient (cm**2/g) = 48.689 Selected interatomic distances (cation-anion,anion-anion): NoP Atom Rad.sph. C.N. Distance NoP N. (angs.) (angs.) 1 Fe 2.592 6 2.1281 6 2.1336 9 2.0939 5 2.2406 5 2.1094 8 2.2743 8 2 Fe 2.592 4 2.0288 6 1.9894 9 2.1624 5 2.1353 8 3 Si 2.1 4 1.6198 5 1.5934 6 1.6246 7 1.6529 7 4 Si 2.1 4 1.6182 8 1.6023 9 1.6613 10 1.6278 10 5 O 3.264 11 2.732 6 2.6404 7 3.1741 6 2.9836 6 2.8578 9 3.1829 6 3.1132 5 3.1132 5 2.6719 7 2.9132 8 2.9456 8 6 O 3.264 9 2.732 5 2.646 7 3.0396 9 2.9836 5 3.1741 5 3.1829 5 2.5353 7 3.2239 10 2.9106 8 7 O 3.264 8 2.6404 5 2.646 6 3.13 10 2.6719 5 2.5353 6 2.6562 7 2.6562 7 3.0353 10 8 O 3.264 11 2.7484 9 2.6374 10 3.1228 8 3.1228 8 2.6148 10 2.9132 5 2.9106 6 3.1948 9 3.0205 9 3.2571 9 2.9456 5 9 O 3.264 8 3.0396 6 2.7484 8 2.5892 10 2.8578 5 2.6294 10 3.1948 8 3.0205 8 3.2571 8 10 O 3.264 9 3.13 7 2.6374 8 2.5892 9 3.2239 6 3.0353 7 2.6148 8 2.6294 9 2.7162 10 2.7162 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 2 0 0 5.52 11.041 0.054 213.14 2 1.9 0.2 2 2 1 0 7.875 15.75 0.077 103.59 4 88.4 395.1 3 4 0 0 11.093 22.186 0.108 51.13 2 182.0 413.3 4 0 2 0 11.251 22.503 0.109 49.64 2 12.0 1.8 5 1 1 1 11.565 23.13 0.112 46.87 8 19.4 17.2 6 4 1 0 12.458 24.915 0.121 40.11 4 5.4 0.6 7 2 1 1 12.539 25.078 0.121 39.57 8 33.8 44.1 8 2 2 0 12.565 25.129 0.122 39.39 4 2.5 0.1 9 3 1 1 14.021 28.043 0.135 31.24 8 9.5 2.7 10 0 2 1 14.936 29.872 0.144 27.29 4 42.9 24.5 11 1 2 1 15.2 30.4 0.147 26.29 8 9.4 2.3 12 4 1 1 15.883 31.766 0.153 23.92 8 63.5 94.1 13 4 2 0 15.904 31.807 0.153 23.85 4 200.1 465.9 14 2 2 1 15.969 31.937 0.154 23.64 8 144.4 480.9 15 6 0 0 16.774 33.548 0.161 21.25 2 13.0 0.9 16 3 2 1 17.181 34.361 0.165 20.17 8 161.8 515.0 17 6 1 0 17.737 35.473 0.17 18.82 4 259.4 617.6 18 2 3 0 17.943 35.887 0.172 18.34 4 52.2 24.4 19 5 1 1 18.022 36.044 0.173 18.17 8 85.6 130.0 20 4 2 1 18.762 37.524 0.18 16.63 8 131.5 280.7 21 0 0 2 19.683 39.366 0.188 14.96 2 31.4 3.6 22 1 0 2 19.891 39.782 0.19 14.61 4 99.8 71.0 23 1 3 1 19.942 39.885 0.191 14.53 8 189.6 509.7 24 6 1 1 20.371 40.741 0.195 13.86 8 51.7 36.2 25 6 2 0 20.387 40.775 0.195 13.83 4 14.9 1.5 26 4 3 0 20.503 41.005 0.196 13.66 4 12.1 1.0 27 2 0 2 20.505 41.009 0.196 13.66 4 153.7 157.5 28 2 3 1 20.555 41.11 0.196 13.58 8 152.4 307.7 29 5 2 1 20.642 41.283 0.197 13.45 8 134.2 236.4 30 1 1 2 20.729 41.457 0.198 13.33 8 59.1 45.4 31 2 1 2 21.322 42.645 0.203 12.51 8 28.7 10.1 32 3 0 2 21.495 42.99 0.205 12.29 4 215.1 277.4 33 3 3 1 21.543 43.087 0.205 12.23 8 86.4 89.0 34 3 1 2 22.283 44.567 0.212 11.33 8 51.0 28.8 35 8 0 0 22.631 45.262 0.215 10.94 2 114.5 35.0 36 6 2 1 22.764 45.528 0.216 10.8 8 12.8 1.7 37 4 0 2 22.823 45.647 0.217 10.73 4 79.1 32.7 38 4 3 1 22.87 45.739 0.217 10.69 8 53.2 29.5 39 7 1 1 22.886 45.772 0.217 10.67 8 53.7 30.0 40 0 2 2 22.908 45.815 0.218 10.65 4 12.6 0.8 41 0 4 0 22.969 45.938 0.218 10.58 2 27.6 2.0 42 1 2 2 23.092 46.184 0.219 10.45 8 36.0 13.3 43 8 1 0 23.389 46.778 0.222 10.16 4 1.4 0.0 44 4 1 2 23.576 47.153 0.224 9.97 8 42.7 17.8 45 2 2 2 23.638 47.276 0.224 9.92 8 4.0 0.2 46 2 4 0 23.698 47.396 0.225 9.86 4 7.4 0.3 47 6 3 0 24.27 48.539 0.23 9.34 4 38.5 6.7 48 5 0 2 24.448 48.896 0.231 9.19 4 228.9 234.8 49 5 3 1 24.491 48.983 0.232 9.15 8 164.6 241.7 50 3 2 2 24.528 49.055 0.232 9.12 8 63.9 36.4 51 7 2 1 25.089 50.178 0.237 8.66 8 99.0 82.8 52 0 4 1 25.152 50.304 0.238 8.61 4 2.8 0.0 53 5 1 2 25.164 50.327 0.238 8.6 8 95.3 76.2 54 1 4 1 25.324 50.648 0.239 8.48 8 47.5 18.7 55 8 1 1 25.545 51.089 0.241 8.31 8 45.3 16.6 56 8 2 0 25.559 51.118 0.241 8.3 4 77.0 24.0 57 4 2 2 25.734 51.469 0.243 8.17 8 7.1 0.4 58 4 4 0 25.791 51.581 0.243 8.13 4 61.3 14.9 59 2 4 1 25.834 51.669 0.244 8.1 8 84.0 55.8 60 6 0 2 26.33 52.661 0.248 7.76 4 7.6 0.2 61 6 3 1 26.372 52.743 0.248 7.73 8 148.0 165.2 62 1 3 2 26.666 53.333 0.251 7.54 8 3.8 0.1 63 3 4 1 26.67 53.34 0.251 7.53 8 52.9 20.6 64 6 1 2 27.01 54.02 0.254 7.32 8 22.4 3.6 65 2 3 2 27.159 54.318 0.255 7.23 8 8.5 0.5 66 5 2 2 27.229 54.458 0.256 7.19 8 26.8 5.0 67 8 2 1 27.59 55.18 0.259 6.98 8 92.6 58.4 68 4 4 1 27.81 55.62 0.261 6.85 8 48.6 15.8 69 3 3 2 27.967 55.934 0.262 6.76 8 40.4 10.8 70 9 1 1 28.336 56.671 0.265 6.57 8 1.8 0.0 71 7 0 2 28.44 56.881 0.266 6.51 4 180.4 103.3 72 7 3 1 28.48 56.959 0.267 6.49 8 82.2 42.8 73 10 0 0 28.75 57.501 0.269 6.35 2 4.4 0.0 74 8 3 0 28.911 57.822 0.27 6.27 4 3.7 0.0 75 6 2 2 28.984 57.968 0.271 6.24 8 54.2 17.9 76 6 4 0 29.036 58.071 0.271 6.21 4 1.8 0.0 77 4 3 2 29.073 58.146 0.272 6.2 8 42.5 10.9 78 7 1 2 29.087 58.174 0.272 6.19 8 40.8 10.0 79 5 4 1 29.232 58.464 0.273 6.12 8 75.7 34.2 80 10 1 0 29.393 58.785 0.274 6.04 4 45.7 6.2 81 2 5 0 29.814 59.628 0.278 5.85 4 208.4 124.0 82 9 2 1 30.253 60.506 0.282 5.67 8 67.7 25.4 83 5 3 2 30.457 60.914 0.283 5.58 8 17.7 1.7 84 8 0 2 30.756 61.512 0.286 5.46 4 68.7 12.6 85 8 3 1 30.793 61.587 0.286 5.45 8 75.6 30.4 86 6 4 1 30.913 61.827 0.287 5.4 8 30.1 4.8 87 7 2 2 30.975 61.95 0.288 5.38 8 88.4 41.0 88 0 4 2 31.03 62.06 0.288 5.36 4 1.1 0.0 89 1 1 3 31.118 62.235 0.289 5.32 8 17.0 1.5 90 1 4 2 31.18 62.359 0.289 5.3 8 35.4 6.5 91 1 5 1 31.217 62.434 0.29 5.29 8 27.3 3.8 92 10 1 1 31.257 62.514 0.29 5.27 8 15.9 1.3 93 10 2 0 31.269 62.539 0.29 5.27 4 17.4 0.8 94 8 1 2 31.373 62.746 0.291 5.23 8 56.0 16.0 95 2 1 3 31.565 63.131 0.293 5.16 8 65.6 21.6 96 4 5 0 31.625 63.251 0.293 5.14 4 6.5 0.1 97 2 4 2 31.627 63.254 0.293 5.14 8 72.4 26.3 98 2 5 1 31.664 63.327 0.293 5.12 8 56.1 15.8 99 6 3 2 32.1 64.201 0.297 4.97 8 0.7 0.0 100 3 1 3 32.304 64.607 0.299 4.9 8 19.1 1.7 101 3 4 2 32.364 64.729 0.299 4.88 8 40.3 7.7 102 3 5 1 32.401 64.801 0.3 4.87 8 44.7 9.5 103 0 2 3 32.792 65.584 0.303 4.75 4 263.2 160.4 104 7 4 1 32.835 65.67 0.303 4.74 8 31.2 4.5 105 1 2 3 32.937 65.875 0.304 4.7 8 58.1 15.5 106 10 2 1 33.072 66.145 0.305 4.66 8 20.9 2.0 107 8 2 2 33.185 66.37 0.306 4.63 8 22.1 2.2 108 8 4 0 33.233 66.465 0.306 4.62 4 65.1 9.5 109 9 0 2 33.264 66.527 0.307 4.61 4 167.4 63.0 110 9 3 1 33.3 66.599 0.307 4.6 8 165.6 122.9 111 4 1 3 33.322 66.645 0.307 4.59 8 0.2 0.0 112 2 2 3 33.372 66.743 0.307 4.57 8 3.6 0.1 113 4 4 2 33.382 66.764 0.308 4.57 8 11.1 0.5 114 4 5 1 33.418 66.836 0.308 4.56 8 34.9 5.4 115 9 1 2 33.855 67.711 0.311 4.44 8 79.7 27.5 116 7 3 2 33.986 67.972 0.312 4.4 8 6.6 0.2 117 3 2 3 34.089 68.178 0.313 4.37 8 20.8 1.8 118 10 3 0 34.266 68.533 0.315 4.33 4 6.2 0.1 119 11 1 1 34.316 68.632 0.315 4.32 8 10.8 0.5 120 6 5 0 34.525 69.05 0.317 4.26 4 140.7 41.2 121 5 1 3 34.61 69.219 0.318 4.24 8 29.6 3.6 122 5 4 2 34.668 69.337 0.318 4.23 8 6.6 0.2 123 5 5 1 34.704 69.407 0.318 4.22 8 78.6 25.4 124 8 4 1 34.983 69.966 0.32 4.15 8 14.3 0.8 125 4 2 3 35.082 70.164 0.321 4.13 8 29.2 3.4 126 12 0 0 35.254 70.507 0.323 4.09 2 252.3 63.4 127 9 2 2 35.603 71.206 0.325 4.01 8 73.6 21.1 128 0 6 0 35.828 71.655 0.327 3.96 2 334.5 108.0 129 12 1 0 35.83 71.66 0.327 3.96 4 1.4 0.0 130 1 3 3 35.863 71.726 0.327 3.95 8 95.0 34.8 131 10 0 2 35.958 71.917 0.328 3.93 4 9.9 0.2 132 10 3 1 35.993 71.986 0.329 3.92 8 166.6 106.2 133 11 2 1 36.053 72.106 0.329 3.91 8 48.2 8.9 134 8 3 2 36.101 72.202 0.329 3.9 8 20.0 1.5 135 6 1 3 36.154 72.309 0.33 3.89 8 26.0 2.6 136 6 4 2 36.212 72.424 0.33 3.88 8 24.8 2.3 137 6 5 1 36.246 72.493 0.331 3.87 8 57.5 12.5 138 2 3 3 36.281 72.562 0.331 3.86 8 194.4 142.3 139 5 2 3 36.341 72.681 0.331 3.85 8 20.5 1.6 140 2 6 0 36.384 72.769 0.332 3.84 4 10.1 0.2 141 1 5 2 36.493 72.986 0.332 3.82 8 62.0 14.3 142 10 1 2 36.53 73.06 0.333 3.81 8 34.9 4.5 143 2 5 2 36.908 73.816 0.336 3.74 8 28.3 2.9 144 3 3 3 36.973 73.946 0.336 3.72 8 25.0 2.3 145 9 4 1 37.349 74.697 0.339 3.66 8 9.6 0.3 146 0 6 1 37.524 75.048 0.34 3.62 4 4.5 0.0 147 12 1 1 37.526 75.052 0.34 3.62 8 16.2 0.9 148 12 2 0 37.538 75.075 0.341 3.62 4 11.5 0.2 149 3 5 2 37.596 75.191 0.341 3.61 8 119.2 50.0 150 1 6 1 37.661 75.322 0.342 3.6 8 8.9 0.3 151 6 2 3 37.856 75.713 0.343 3.57 8 6.0 0.1 152 4 3 3 37.934 75.868 0.344 3.55 8 14.7 0.7 153 7 1 3 37.946 75.893 0.344 3.55 8 11.6 0.5 154 7 4 2 38.003 76.006 0.344 3.54 8 33.8 4.0 155 4 6 0 38.036 76.072 0.344 3.54 4 85.6 12.6 156 7 5 1 38.037 76.074 0.344 3.54 8 65.1 14.6 157 2 6 1 38.071 76.143 0.345 3.53 8 5.9 0.1 158 10 2 2 38.226 76.452 0.346 3.51 8 38.3 5.0 159 10 4 0 38.271 76.542 0.346 3.5 4 24.1 1.0 160 8 5 0 38.411 76.822 0.347 3.48 4 6.8 0.1 161 9 3 2 38.44 76.88 0.348 3.47 8 19.4 1.3 162 4 5 2 38.551 77.103 0.348 3.46 8 19.0 1.2 163 3 6 1 38.752 77.504 0.35 3.43 8 27.1 2.4 164 11 0 2 38.844 77.688 0.351 3.41 4 167.1 46.5 165 11 3 1 38.878 77.756 0.351 3.41 8 187.4 116.8 166 5 3 3 39.158 78.316 0.353 3.37 8 49.4 8.0 167 12 2 1 39.207 78.415 0.353 3.36 8 53.1 9.2 168 11 1 2 39.401 78.802 0.355 3.33 8 106.4 36.8 169 7 2 3 39.622 79.244 0.356 3.3 8 37.7 4.6 170 0 4 3 39.671 79.342 0.357 3.3 4 140.3 31.7 171 4 6 1 39.699 79.398 0.357 3.29 8 14.3 0.7 172 5 5 2 39.77 79.54 0.358 3.28 8 68.3 14.9 173 1 4 3 39.806 79.612 0.358 3.28 8 25.9 2.1 174 10 4 1 39.932 79.863 0.359 3.26 8 2.3 0.0 175 8 1 3 39.98 79.96 0.359 3.26 8 8.7 0.2 176 8 4 2 40.036 80.072 0.36 3.25 8 1.9 0.0 177 8 5 1 40.069 80.139 0.36 3.25 8 26.8 2.3 178 2 4 3 40.21 80.419 0.361 3.23 8 6.2 0.1 179 12 3 0 40.328 80.655 0.362 3.21 4 4.8 0.0 180 6 3 3 40.64 81.28 0.364 3.18 8 185.2 106.3 181 6 6 0 40.74 81.48 0.365 3.17 4 9.9 0.2 182 3 4 3 40.881 81.761 0.366 3.15 8 7.8 0.2 183 5 6 1 40.908 81.817 0.366 3.15 8 1.9 0.0 184 13 1 1 40.911 81.822 0.366 3.15 8 28.9 2.6 185 10 3 2 41.003 82.005 0.367 3.14 8 1.6 0.0 186 11 2 2 41.06 82.121 0.367 3.13 8 18.0 1.0 187 6 5 2 41.246 82.492 0.369 3.11 8 28.9 2.5 188 8 2 3 41.634 83.268 0.371 3.07 8 77.1 17.8 189 4 4 3 41.816 83.632 0.373 3.06 8 34.1 3.5 190 12 0 2 41.934 83.869 0.374 3.04 4 37.4 2.1 191 12 3 1 41.968 83.935 0.374 3.04 8 123.4 45.2 192 9 1 3 42.255 84.51 0.376 3.02 8 11.1 0.4 193 9 4 2 42.31 84.62 0.376 3.01 8 8.0 0.2 194 14 0 0 42.33 84.659 0.376 3.01 2 16.4 0.2 195 9 5 1 42.343 84.687 0.377 3.01 8 37.0 4.0 196 0 0 4 42.348 84.695 0.377 3.01 2 97.9 7.0 197 7 3 3 42.376 84.753 0.377 3.0 8 48.2 6.8 198 6 6 1 42.377 84.754 0.377 3.0 8 7.7 0.2 199 0 6 2 42.48 84.96 0.378 3.0 4 16.0 0.4 200 1 0 4 42.481 84.962 0.378 3.0 4 38.3 2.1 201 12 1 2 42.482 84.965 0.378 3.0 8 103.4 31.3 202 13 2 1 42.558 85.115 0.378 2.99 8 53.7 8.4 203 1 6 2 42.613 85.226 0.378 2.98 8 20.8 1.3 204 11 4 1 42.739 85.479 0.379 2.97 8 12.3 0.4 205 14 1 0 42.877 85.754 0.38 2.96 4 121.1 21.2 206 2 0 4 42.88 85.76 0.38 2.96 4 74.1 7.9 207 7 5 2 42.979 85.957 0.381 2.96 8 49.5 7.1 208 2 6 2 43.012 86.024 0.381 2.95 8 120.5 41.8 209 5 4 3 43.014 86.028 0.381 2.95 8 5.2 0.1 210 1 1 4 43.028 86.056 0.381 2.95 8 74.2 15.9 211 10 5 0 43.24 86.479 0.383 2.94 4 10.8 0.2 212 2 1 4 43.426 86.852 0.384 2.92 8 54.5 8.5 213 3 0 4 43.544 87.088 0.385 2.91 4 116.7 19.4 214 2 7 0 43.602 87.204 0.386 2.91 4 9.8 0.1 215 3 6 2 43.676 87.352 0.386 2.91 8 143.3 58.2 216 11 3 2 43.799 87.598 0.387 2.9 8 4.6 0.1 217 9 2 3 43.895 87.79 0.388 2.89 8 1.1 0.0 218 3 1 4 44.09 88.179 0.389 2.88 8 7.3 0.1 219 7 6 1 44.104 88.207 0.389 2.88 8 6.1 0.1 220 12 2 2 44.121 88.243 0.389 2.88 8 15.8 0.7 221 12 4 0 44.165 88.331 0.389 2.87 4 12.9 0.2 222 8 3 3 44.368 88.736 0.391 2.86 8 9.0 0.2 223 8 6 0 44.467 88.934 0.392 2.86 4 123.7 21.3 224 4 0 4 44.472 88.945 0.392 2.86 4 162.1 36.6 225 6 4 3 44.474 88.948 0.392 2.86 8 2.3 0.0 226 14 1 1 44.504 89.007 0.392 2.85 8 30.7 2.6 227 14 2 0 44.515 89.029 0.392 2.85 4 1.3 0.0 228 0 2 4 44.533 89.065 0.392 2.85 4 63.8 5.7 229 4 6 2 44.604 89.208 0.393 2.85 8 41.7 4.8 230 1 2 4 44.665 89.331 0.393 2.85 8 52.5 7.7 231 1 5 3 44.742 89.484 0.393 2.84 8 26.6 2.0 232 10 1 3 44.778 89.556 0.394 2.84 8 55.8 8.6 233 1 7 1 44.83 89.66 0.394 2.84 8 1.4 0.0 234 10 4 2 44.833 89.666 0.394 2.84 8 13.5 0.5 235 10 5 1 44.866 89.731 0.394 2.84 8 32.7 3.0 236 8 5 2 44.969 89.937 0.395 2.83 8 73.9 15.1 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 1 0 7.875 15.75 6.52841 395.1 64.0 64.9 5.6 2 4 0 0 11.093 22.186 4.649 413.3 66.9 67.6 5.6 3 1 1 1 11.565 23.13 4.4616 17.2 2.8 2.8 5.6 4 2 1 1 12.539 25.078 4.12002 44.3 7.2 7.2 5.6 5 0 2 1 14.936 29.872 3.47037 24.5 4.0 4.0 5.6 6 4 2 0 15.904 31.807 3.26421 560.0 90.7 91.0 5.6 7 2 2 1 15.969 31.937 3.25128 480.9 77.9 78.1 5.6 8 3 2 1 17.181 34.361 3.0281 515.0 83.4 83.5 5.7 9 6 1 0 17.737 35.473 2.93611 617.6 100.0 100.0 5.7 10 2 3 0 17.943 35.887 2.90335 24.4 4.0 4.0 5.7 11 5 1 1 18.022 36.044 2.89111 130.0 21.0 21.0 5.7 12 4 2 1 18.762 37.524 2.78099 280.7 45.5 45.4 5.7 13 1 0 2 19.891 39.782 2.62898 71.0 11.5 11.5 5.7 14 1 3 1 19.942 39.885 2.62247 509.7 82.5 82.2 5.7 15 6 1 1 20.371 40.741 2.56962 37.7 6.1 6.1 5.7 16 2 0 2 20.505 41.009 2.55354 157.5 25.5 25.4 5.7 17 2 3 1 20.555 41.11 2.54757 307.7 49.8 49.5 5.7 18 5 2 1 20.642 41.283 2.53733 236.4 38.3 38.1 5.7 19 1 1 2 20.729 41.457 2.52714 45.4 7.4 7.3 5.7 20 2 1 2 21.322 42.645 2.45991 10.1 1.6 1.6 5.7 21 3 0 2 21.495 42.99 2.44106 277.4 44.9 44.6 5.7 22 3 3 1 21.543 43.087 2.43585 89.0 14.4 14.3 5.7 23 3 1 2 22.283 44.567 2.35888 28.8 4.7 4.6 5.7 24 8 0 0 22.631 45.262 2.3245 35.0 5.7 5.6 5.7 25 4 0 2 22.823 45.647 2.30595 32.7 5.3 5.2 5.7 26 7 1 1 22.886 45.772 2.29997 59.5 9.6 9.5 5.7 27 1 2 2 23.092 46.184 2.28057 13.3 2.1 2.1 5.7 28 4 1 2 23.576 47.153 2.2363 17.8 2.9 2.8 5.7 29 6 3 0 24.27 48.539 2.17614 6.7 1.1 1.1 5.7 30 5 0 2 24.448 48.896 2.16124 234.8 38.0 37.5 5.7 31 5 3 1 24.491 48.983 2.15762 241.7 39.1 38.6 5.7 32 3 2 2 24.528 49.055 2.15463 36.4 5.9 5.8 5.7 33 7 2 1 25.089 50.178 2.10946 82.8 13.4 13.2 5.7 34 5 1 2 25.164 50.327 2.10359 76.2 12.3 12.1 5.8 35 1 4 1 25.324 50.648 2.09117 18.7 3.0 3.0 5.8 36 8 2 0 25.559 51.118 2.07321 40.6 6.6 6.5 5.8 37 4 4 0 25.791 51.581 2.05583 14.9 2.4 2.4 5.8 38 2 4 1 25.834 51.669 2.05259 55.8 9.0 8.9 5.8 39 6 3 1 26.372 52.743 2.01367 165.2 26.8 26.3 5.8 40 3 4 1 26.67 53.34 1.99279 20.6 3.3 3.3 5.8 41 8 2 1 27.59 55.18 1.93129 58.4 9.5 9.2 5.8 42 4 4 1 27.81 55.62 1.91722 15.8 2.6 2.5 5.8 43 3 3 2 27.967 55.934 1.90733 10.8 1.7 1.7 5.8 44 7 0 2 28.44 56.881 1.87815 103.3 16.7 16.3 5.8 45 7 3 1 28.48 56.959 1.87578 42.8 6.9 6.8 5.8 46 6 2 2 28.984 57.968 1.84591 17.9 2.9 2.8 5.8 47 4 3 2 29.073 58.146 1.84075 20.9 3.4 3.3 5.8 48 5 4 1 29.232 58.464 1.83161 34.2 5.5 5.4 5.8 49 2 5 0 29.814 59.628 1.79905 124.0 20.1 19.5 5.8 50 9 2 1 30.253 60.506 1.77537 25.4 4.1 4.0 5.8 51 8 0 2 30.756 61.512 1.7491 12.6 2.0 2.0 5.8 52 8 3 1 30.793 61.587 1.74718 30.4 4.9 4.8 5.8 53 7 2 2 30.975 61.95 1.73795 41.0 6.6 6.4 5.8 54 1 4 2 31.18 62.359 1.72768 6.5 1.1 1.0 5.8 55 8 1 2 31.373 62.746 1.71812 16.0 2.6 2.5 5.9 56 2 1 3 31.565 63.131 1.70872 21.6 3.5 3.4 5.9 57 2 4 2 31.627 63.254 1.70573 26.3 4.3 4.1 5.9 58 2 5 1 31.664 63.327 1.70395 15.8 2.6 2.5 5.9 59 3 4 2 32.364 64.729 1.67095 7.7 1.3 1.2 5.9 60 3 5 1 32.401 64.801 1.66927 9.5 1.5 1.5 5.9 61 0 2 3 32.792 65.584 1.65155 160.4 26.0 25.0 5.9 62 1 2 3 32.937 65.875 1.64507 15.5 2.5 2.4 5.9 63 8 4 0 33.233 66.465 1.6321 9.5 1.5 1.5 5.9 64 9 0 2 33.264 66.527 1.63076 63.0 10.2 9.8 5.9 65 9 3 1 33.3 66.599 1.62921 122.9 19.9 19.1 5.9 66 9 1 2 33.855 67.711 1.60556 27.5 4.4 4.3 5.9 67 6 5 0 34.525 69.05 1.57817 41.2 6.7 6.4 5.9 68 5 5 1 34.704 69.407 1.57107 25.4 4.1 3.9 5.9 69 12 0 0 35.254 70.507 1.54967 63.4 10.3 9.8 5.9 70 9 2 2 35.603 71.206 1.53644 21.1 3.4 3.3 5.9 71 0 6 0 35.828 71.655 1.52808 108.0 17.5 16.7 5.9 72 1 3 3 35.863 71.726 1.52677 34.8 5.6 5.4 5.9 73 10 3 1 35.993 71.986 1.522 106.2 17.2 16.4 5.9 74 11 2 1 36.053 72.106 1.51981 8.9 1.4 1.4 5.9 75 6 5 1 36.246 72.493 1.5128 12.5 2.0 1.9 5.9 76 2 3 3 36.281 72.562 1.51157 142.3 23.0 21.9 6.0 77 1 5 2 36.493 72.986 1.50399 14.3 2.3 2.2 6.0 78 3 5 2 37.596 75.191 1.46612 50.0 8.1 7.7 6.0 79 7 5 1 38.037 76.074 1.45165 27.3 4.4 4.2 6.0 80 11 0 2 38.844 77.688 1.42611 46.5 7.5 7.1 6.0 81 11 3 1 38.878 77.756 1.42506 116.8 18.9 17.8 6.0 82 5 3 3 39.158 78.316 1.41649 8.0 1.3 1.2 6.0 83 12 2 1 39.207 78.415 1.415 9.2 1.5 1.4 6.0 84 11 1 2 39.401 78.802 1.40916 36.8 6.0 5.6 6.0 85 0 4 3 39.671 79.342 1.40114 32.3 5.2 4.9 6.0 86 5 5 2 39.77 79.54 1.39824 14.9 2.4 2.3 6.0 87 6 3 3 40.64 81.28 1.37334 106.3 17.2 16.1 6.1 88 8 2 3 41.634 83.268 1.34633 17.8 2.9 2.7 6.1 89 12 3 1 41.968 83.935 1.33759 45.2 7.3 6.8 6.1 90 0 0 4 42.348 84.695 1.32782 18.0 2.9 2.7 6.1 91 12 1 2 42.482 84.965 1.32441 33.4 5.4 5.0 6.1 92 13 2 1 42.558 85.115 1.32252 8.4 1.4 1.3 6.1 93 14 1 0 42.877 85.754 1.31456 29.1 4.7 4.4 6.1 94 7 5 2 42.979 85.957 1.31206 7.1 1.1 1.1 6.1 95 2 6 2 43.012 86.024 1.31123 57.8 9.4 8.6 6.1 96 2 1 4 43.426 86.852 1.30118 8.5 1.4 1.3 6.1 97 3 0 4 43.544 87.088 1.29837 19.4 3.1 2.9 6.1 98 3 6 2 43.676 87.352 1.29523 58.2 9.4 8.7 6.2 99 4 0 4 44.472 88.945 1.27677 57.9 9.4 8.6 6.2 100 0 2 4 44.533 89.065 1.2754 8.3 1.3 1.2 6.2 101 1 2 4 44.665 89.331 1.27241 7.7 1.2 1.1 6.2 102 10 1 3 44.778 89.556 1.26989 8.6 1.4 1.3 6.2 103 8 5 2 44.969 89.937 1.26565 15.1 2.4 2.2 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) |