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 7, t-hypersthene, at 980'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 = 18.614 alpha = 90.0 b = 9.172 beta = 90.0 c = 5.3199 gamma = 90.0 Unit cell volume (cub. angs.) = 908.25 Molar volume ( cub.cm/mol.) = 34.19 Co-ordinates, thermal parameters, occupation for atomic positions: NoP x/a y/b z/c B(j) atom / occupation 1 0.3747 0.6505 0.8992 2.27 Fe = 1.00 2 0.3764 0.4886 0.3964 3.19 Fe = 1.00 3 0.2729 0.3374 0.0695 1.64 Si = 1.00 4 0.4755 0.3353 0.7725 1.7 Si = 1.00 5 0.1862 0.3394 0.0669 2.26 O = 1.00 6 0.312 0.491 0.0669 2.67 O = 1.00 7 0.3006 0.2491 0.8225 2.87 O = 1.00 8 0.5623 0.3401 0.7727 2.49 O = 1.00 9 0.4348 0.4847 0.7117 3.13 O = 1.00 10 0.4493 0.2229 0.5455 3.29 O = 1.00 Co-ordinates for all atomic positions : No NoP x/a y/b z/c 1 1 0.3747 0.6505 0.8992 2 2 0.3764 0.4886 0.3964 3 3 0.2729 0.3374 0.0695 4 4 0.4755 0.3353 0.7725 5 5 0.1862 0.3394 0.0669 6 6 0.312 0.491 0.0669 7 7 0.3006 0.2491 0.8225 8 8 0.5623 0.3401 0.7727 9 9 0.4348 0.4847 0.7117 10 10 0.4493 0.2229 0.5455 11 1 0.1253 0.3495 0.3992 12 2 0.1236 0.5114 0.8964 13 3 0.2271 0.6626 0.5695 14 4 0.0245 0.6647 0.2725 15 5 0.3138 0.6606 0.5669 16 6 0.188 0.509 0.5669 17 7 0.1994 0.7509 0.3225 18 8 0.9377 0.6599 0.2727 19 9 0.0652 0.5153 0.2117 20 10 0.0507 0.7771 0.0455 21 1 0.1253 0.1505 0.8992 22 2 0.1236 0.9886 0.3964 23 3 0.2271 0.8374 0.0695 24 4 0.0245 0.8353 0.7725 25 5 0.3138 0.8394 0.0669 26 6 0.188 0.991 0.0669 27 7 0.1994 0.7491 0.8225 28 8 0.9377 0.8401 0.7727 29 9 0.0652 0.9847 0.7117 30 10 0.0507 0.7229 0.5455 31 1 0.3747 0.8495 0.3992 32 2 0.3764 0.0114 0.8964 33 3 0.2729 0.1626 0.5695 34 4 0.4755 0.1647 0.2725 35 5 0.1862 0.1606 0.5669 36 6 0.312 0.009 0.5669 37 7 0.3006 0.2509 0.3225 38 8 0.5623 0.1599 0.2727 39 9 0.4348 0.0153 0.2117 40 10 0.4493 0.2771 0.0455 41 1 0.8747 0.6505 0.6008 42 2 0.8764 0.4886 0.1036 43 3 0.7729 0.3374 0.4305 44 4 0.9755 0.3353 0.7275 45 5 0.6862 0.3394 0.4331 46 6 0.812 0.491 0.4331 47 7 0.8006 0.2491 0.6775 48 8 0.0623 0.3401 0.7273 49 9 0.9348 0.4847 0.7883 50 10 0.9493 0.2229 0.9545 51 1 0.6253 0.3495 0.1008 52 2 0.6236 0.5114 0.6036 53 3 0.7271 0.6626 0.9305 54 4 0.5245 0.6647 0.2275 55 5 0.8138 0.6606 0.9331 56 6 0.688 0.509 0.9331 57 7 0.6994 0.7509 0.1775 58 8 0.4377 0.6599 0.2273 59 9 0.5652 0.5153 0.2883 60 10 0.5507 0.7771 0.4545 61 1 0.6253 0.1505 0.6008 62 2 0.6236 0.9886 0.1036 63 3 0.7271 0.8374 0.4305 64 4 0.5245 0.8353 0.7275 65 5 0.8138 0.8394 0.4331 66 6 0.688 0.991 0.4331 67 7 0.6994 0.7491 0.6775 68 8 0.4377 0.8401 0.7273 69 9 0.5652 0.9847 0.7883 70 10 0.5507 0.7229 0.9545 71 1 0.8747 0.8495 0.1008 72 2 0.8764 0.0114 0.6036 73 3 0.7729 0.1626 0.9305 74 4 0.9755 0.1647 0.2275 75 5 0.6862 0.1606 0.9331 76 6 0.812 0.009 0.9331 77 7 0.8006 0.2509 0.1775 78 8 0.0623 0.1599 0.2273 79 9 0.9348 0.0153 0.2883 80 10 0.9493 0.2771 0.4545 X-ray density (g/cm cub.) = 3.86 MU (1/cm) = 187.842 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 2.0732 6 2.1352 9 2.1021 5 2.2545 5 2.1046 8 2.2882 8 2 Fe 2.592 4 2.1237 6 1.9991 9 2.1609 5 2.14 8 3 Si 2.1 4 1.614 5 1.5858 6 1.6274 7 1.6452 7 4 Si 2.1 4 1.6163 8 1.5988 9 1.661 10 1.6224 10 5 O 3.264 11 2.7234 6 2.6289 7 3.0816 6 3.0816 6 2.8756 9 3.1957 6 3.1249 5 3.1249 5 2.6537 7 2.9297 8 2.9593 8 6 O 3.264 9 2.7234 5 2.5803 7 2.9663 9 3.0816 5 3.0816 5 3.1957 5 2.5969 7 3.2239 10 2.933 8 7 O 3.264 8 2.6289 5 2.5803 6 3.1449 10 2.6537 5 2.5969 6 2.66 7 2.66 7 3.0224 10 8 O 3.264 11 2.738 9 2.6534 10 3.1316 8 3.1316 8 2.62 10 2.9297 5 2.933 6 3.1794 9 3.0374 9 3.2612 9 2.9593 5 9 O 3.264 8 2.9663 6 2.738 8 2.573 10 2.8756 5 2.6176 10 3.1794 8 3.0374 8 3.2612 8 10 O 3.264 9 3.1449 7 2.6534 8 2.573 9 3.2239 6 3.0224 7 2.62 8 2.6176 9 2.706 10 2.706 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 5.515 11.03 0.054 213.56 2 1.0 0.0 2 2 1 0 7.87 15.739 0.077 103.74 4 87.4 384.1 3 4 0 0 11.082 22.164 0.107 51.24 2 180.2 403.2 4 0 2 0 11.247 22.494 0.109 49.68 2 11.7 1.6 5 1 1 1 11.55 23.1 0.112 47.0 8 19.2 16.9 6 4 1 0 12.447 24.894 0.12 40.18 4 5.7 0.6 7 2 1 1 12.523 25.046 0.121 39.67 8 27.3 28.6 8 2 2 0 12.558 25.117 0.122 39.44 4 2.1 0.1 9 3 1 1 14.004 28.009 0.135 31.32 8 5.8 1.0 10 0 2 1 14.922 29.845 0.144 27.35 4 39.2 20.4 11 1 2 1 15.186 30.372 0.146 26.34 8 8.6 1.9 12 4 1 1 15.864 31.728 0.153 23.98 8 57.5 77.0 13 4 2 0 15.893 31.785 0.153 23.88 4 200.3 464.6 14 2 2 1 15.954 31.907 0.154 23.69 8 145.3 485.2 15 6 0 0 16.757 33.515 0.161 21.3 2 11.7 0.7 16 3 2 1 17.164 34.329 0.165 20.21 8 164.1 527.6 17 6 1 0 17.72 35.44 0.17 18.85 4 256.8 602.8 18 2 3 0 17.935 35.871 0.172 18.36 4 54.8 26.7 19 5 1 1 18.002 36.003 0.173 18.21 8 87.1 134.0 20 4 2 1 18.744 37.487 0.18 16.67 8 128.5 266.9 21 0 0 2 19.65 39.3 0.188 15.01 2 48.6 8.6 22 1 0 2 19.858 39.715 0.19 14.67 4 100.5 71.8 23 1 3 1 19.928 39.856 0.191 14.55 8 184.8 481.9 24 6 1 1 20.348 40.695 0.194 13.89 8 53.5 38.5 25 6 2 0 20.371 40.741 0.195 13.86 4 11.8 0.9 26 2 0 2 20.471 40.942 0.195 13.71 4 155.9 161.6 27 4 3 0 20.491 40.981 0.196 13.68 4 9.4 0.6 28 2 3 1 20.54 41.079 0.196 13.6 8 145.2 278.1 29 5 2 1 20.621 41.243 0.197 13.48 8 132.5 229.6 30 1 1 2 20.696 41.392 0.198 13.38 8 56.3 41.1 31 2 1 2 21.289 42.578 0.203 12.56 8 29.5 10.6 32 3 0 2 21.461 42.922 0.205 12.33 4 213.2 271.8 33 3 3 1 21.527 43.054 0.205 12.25 8 88.7 93.5 34 3 1 2 22.25 44.499 0.212 11.37 8 51.2 28.9 35 8 0 0 22.608 45.216 0.215 10.97 2 113.4 34.2 36 6 2 1 22.741 45.483 0.216 10.82 8 13.1 1.8 37 4 0 2 22.788 45.577 0.217 10.77 4 90.7 43.0 38 4 3 1 22.851 45.702 0.217 10.71 8 48.8 24.7 39 7 1 1 22.861 45.721 0.217 10.7 8 54.0 30.2 40 0 2 2 22.876 45.752 0.217 10.68 4 24.7 3.2 41 0 4 0 22.96 45.919 0.218 10.59 2 26.1 1.8 42 1 2 2 23.06 46.12 0.219 10.49 8 40.7 16.9 43 8 1 0 23.366 46.732 0.222 10.18 4 4.1 0.1 44 4 1 2 23.542 47.083 0.223 10.01 8 43.6 18.4 45 2 2 2 23.606 47.212 0.224 9.95 8 11.2 1.2 46 2 4 0 23.687 47.375 0.225 9.87 4 4.4 0.1 47 6 3 0 24.252 48.505 0.23 9.35 4 38.1 6.6 48 5 0 2 24.411 48.823 0.231 9.22 4 222.3 220.9 49 5 3 1 24.471 48.942 0.232 9.17 8 164.6 240.8 50 3 2 2 24.495 48.989 0.232 9.15 8 60.4 32.4 51 7 2 1 25.064 50.127 0.237 8.68 8 97.0 79.2 52 5 1 2 25.128 50.255 0.237 8.63 8 91.9 70.6 53 0 4 1 25.136 50.273 0.237 8.62 4 6.4 0.2 54 1 4 1 25.308 50.616 0.239 8.49 8 45.9 17.3 55 8 1 1 25.516 51.033 0.241 8.33 8 45.8 16.9 56 8 2 0 25.536 51.071 0.241 8.32 4 75.8 23.2 57 4 2 2 25.7 51.401 0.242 8.2 8 10.7 0.9 58 4 4 0 25.777 51.554 0.243 8.14 4 58.4 13.5 59 2 4 1 25.818 51.636 0.243 8.11 8 84.8 56.6 60 6 0 2 26.292 52.585 0.248 7.78 4 4.4 0.1 61 6 3 1 26.349 52.698 0.248 7.75 8 141.9 151.3 62 1 3 2 26.635 53.27 0.251 7.56 8 5.1 0.2 63 3 4 1 26.652 53.304 0.251 7.55 8 53.8 21.2 64 6 1 2 26.972 53.944 0.254 7.34 8 24.3 4.2 65 2 3 2 27.127 54.254 0.255 7.25 8 8.5 0.5 66 5 2 2 27.193 54.387 0.255 7.21 8 27.1 5.1 67 8 2 1 27.562 55.123 0.259 6.99 8 89.5 54.3 68 4 4 1 27.79 55.581 0.261 6.86 8 47.6 15.1 69 3 3 2 27.934 55.868 0.262 6.78 8 38.6 9.8 70 9 1 1 28.304 56.608 0.265 6.58 8 3.9 0.1 71 7 0 2 28.4 56.801 0.266 6.53 4 170.5 92.1 72 7 3 1 28.454 56.908 0.266 6.5 8 84.2 44.7 73 10 0 0 28.72 57.44 0.269 6.37 2 5.7 0.1 74 8 3 0 28.887 57.775 0.27 6.29 4 3.2 0.0 75 6 2 2 28.946 57.893 0.271 6.26 8 57.9 20.3 76 6 4 0 29.017 58.034 0.271 6.22 4 2.3 0.0 77 4 3 2 29.039 58.078 0.271 6.21 8 43.9 11.6 78 7 1 2 29.047 58.094 0.271 6.21 8 40.8 10.0 79 5 4 1 29.21 58.421 0.273 6.13 8 71.8 30.7 80 10 1 0 29.362 58.724 0.274 6.06 4 45.7 6.1 81 2 5 0 29.801 59.601 0.278 5.86 4 205.5 120.0 82 9 2 1 30.221 60.442 0.281 5.68 8 71.1 27.8 83 5 3 2 30.421 60.843 0.283 5.6 8 16.7 1.5 84 8 0 2 30.713 61.427 0.286 5.48 4 67.4 12.1 85 8 3 1 30.765 61.529 0.286 5.46 8 75.5 30.1 86 6 4 1 30.889 61.779 0.287 5.41 8 29.9 4.7 87 7 2 2 30.935 61.87 0.287 5.39 8 83.6 36.5 88 0 4 2 30.999 61.997 0.288 5.37 4 9.7 0.2 89 1 1 3 31.063 62.127 0.288 5.34 8 16.0 1.3 90 1 4 2 31.148 62.296 0.289 5.31 8 39.0 7.8 91 1 5 1 31.199 62.398 0.29 5.29 8 28.7 4.2 92 10 1 1 31.222 62.444 0.29 5.28 8 14.7 1.1 93 10 2 0 31.239 62.477 0.29 5.28 4 15.3 0.6 94 8 1 2 31.33 62.661 0.291 5.24 8 54.2 14.9 95 2 1 3 31.511 63.021 0.292 5.18 8 64.6 20.9 96 2 4 2 31.595 63.189 0.293 5.15 8 69.2 23.9 97 4 5 0 31.609 63.218 0.293 5.14 4 5.3 0.1 98 2 5 1 31.645 63.29 0.293 5.13 8 50.4 12.6 99 6 3 2 32.063 64.125 0.297 4.98 8 1.5 0.0 100 3 1 3 32.248 64.496 0.298 4.92 8 23.5 2.6 101 3 4 2 32.331 64.662 0.299 4.9 8 41.1 8.0 102 3 5 1 32.381 64.762 0.299 4.88 8 41.3 8.1 103 0 2 3 32.738 65.476 0.302 4.77 4 260.4 156.6 104 7 4 1 32.808 65.617 0.303 4.74 8 27.1 3.4 105 1 2 3 32.883 65.767 0.303 4.72 8 51.1 12.0 106 10 2 1 33.037 66.074 0.305 4.67 8 19.4 1.7 107 8 2 2 33.142 66.284 0.306 4.64 8 21.8 2.1 108 8 4 0 33.208 66.415 0.306 4.62 4 64.5 9.3 109 9 0 2 33.218 66.436 0.306 4.62 4 159.4 56.9 110 4 1 3 33.266 66.532 0.307 4.61 8 1.0 0.0 111 9 3 1 33.267 66.534 0.307 4.61 8 165.1 121.7 112 2 2 3 33.317 66.634 0.307 4.59 8 0.7 0.0 113 4 4 2 33.348 66.695 0.307 4.58 8 8.7 0.3 114 4 5 1 33.396 66.793 0.308 4.57 8 32.0 4.5 115 9 1 2 33.81 67.62 0.311 4.45 8 78.4 26.5 116 7 3 2 33.946 67.891 0.312 4.41 8 5.5 0.1 117 3 2 3 34.034 68.068 0.313 4.39 8 18.3 1.4 118 10 3 0 34.235 68.47 0.314 4.34 4 6.9 0.1 119 11 1 1 34.277 68.553 0.315 4.33 8 8.7 0.3 120 6 5 0 34.504 69.008 0.317 4.27 4 134.2 37.3 121 5 1 3 34.552 69.104 0.317 4.25 8 17.2 1.2 122 5 4 2 34.632 69.264 0.318 4.23 8 2.5 0.0 123 5 5 1 34.68 69.36 0.318 4.22 8 79.3 25.7 124 8 4 1 34.953 69.906 0.32 4.16 8 13.8 0.8 125 4 2 3 35.026 70.051 0.321 4.14 8 28.9 3.4 126 12 0 0 35.214 70.429 0.322 4.09 2 245.0 59.6 127 9 2 2 35.557 71.114 0.325 4.02 8 65.7 16.8 128 12 1 0 35.791 71.581 0.327 3.96 4 0.9 0.0 129 1 3 3 35.809 71.618 0.327 3.96 8 84.8 27.6 130 0 6 0 35.812 71.624 0.327 3.96 2 320.9 98.8 131 10 0 2 35.909 71.819 0.328 3.94 4 12.1 0.3 132 10 3 1 35.957 71.913 0.328 3.93 8 157.8 94.9 133 11 2 1 36.013 72.026 0.329 3.92 8 45.6 7.9 134 8 3 2 36.058 72.116 0.329 3.91 8 20.2 1.5 135 6 1 3 36.095 72.189 0.329 3.9 8 23.8 2.1 136 6 4 2 36.173 72.346 0.33 3.88 8 25.6 2.5 137 6 5 1 36.22 72.441 0.33 3.87 8 59.4 13.2 138 2 3 3 36.226 72.453 0.33 3.87 8 192.5 139.2 139 5 2 3 36.283 72.565 0.331 3.86 8 17.1 1.1 140 2 6 0 36.368 72.735 0.331 3.84 4 6.6 0.1 141 1 5 2 36.46 72.92 0.332 3.82 8 60.5 13.6 142 10 1 2 36.481 72.962 0.332 3.82 8 38.8 5.6 143 2 5 2 36.874 73.748 0.335 3.74 8 33.6 4.1 144 3 3 3 36.918 73.835 0.336 3.74 8 26.4 2.5 145 9 4 1 37.315 74.63 0.339 3.66 8 11.0 0.4 146 12 1 1 37.482 74.964 0.34 3.63 8 19.2 1.3 147 12 2 0 37.498 74.995 0.34 3.63 4 11.1 0.2 148 0 6 1 37.503 75.006 0.34 3.63 4 9.3 0.2 149 3 5 2 37.561 75.122 0.341 3.62 8 113.6 45.3 150 1 6 1 37.64 75.28 0.341 3.6 8 9.8 0.3 151 6 2 3 37.796 75.593 0.343 3.58 8 4.4 0.1 152 4 3 3 37.877 75.755 0.343 3.56 8 11.6 0.5 153 7 1 3 37.884 75.768 0.343 3.56 8 13.7 0.7 154 7 4 2 37.962 75.923 0.344 3.55 8 29.0 2.9 155 7 5 1 38.008 76.016 0.344 3.54 8 64.7 14.4 156 4 6 0 38.016 76.033 0.344 3.54 4 80.6 11.1 157 2 6 1 38.049 76.099 0.345 3.54 8 6.5 0.1 158 10 2 2 38.176 76.353 0.346 3.52 8 41.8 6.0 159 10 4 0 38.238 76.476 0.346 3.51 4 21.8 0.8 160 8 5 0 38.383 76.766 0.347 3.48 4 4.5 0.0 161 9 3 2 38.393 76.786 0.347 3.48 8 19.6 1.3 162 4 5 2 38.515 77.03 0.348 3.46 8 18.9 1.2 163 3 6 1 38.729 77.458 0.35 3.43 8 26.4 2.3 164 11 0 2 38.791 77.582 0.35 3.42 4 156.7 40.7 165 11 3 1 38.837 77.674 0.351 3.41 8 182.9 110.8 166 5 3 3 39.1 78.199 0.353 3.38 8 33.0 3.6 167 12 2 1 39.163 78.325 0.353 3.37 8 50.6 8.4 168 11 1 2 39.348 78.695 0.354 3.34 8 102.6 34.1 169 7 2 3 39.559 79.118 0.356 3.31 8 31.5 3.2 170 0 4 3 39.616 79.233 0.356 3.3 4 134.8 29.1 171 4 6 1 39.674 79.349 0.357 3.3 8 12.8 0.5 172 5 5 2 39.731 79.463 0.357 3.29 8 63.7 12.9 173 1 4 3 39.751 79.502 0.357 3.29 8 20.6 1.4 174 10 4 1 39.893 79.787 0.359 3.27 8 1.8 0.0 175 8 1 3 39.915 79.83 0.359 3.27 8 8.9 0.3 176 8 4 2 39.991 79.982 0.359 3.26 8 1.9 0.0 177 8 5 1 40.037 80.074 0.36 3.25 8 27.2 2.3 178 2 4 3 40.154 80.308 0.36 3.24 8 3.7 0.0 179 12 3 0 40.286 80.573 0.361 3.22 4 3.1 0.0 180 6 3 3 40.579 81.158 0.364 3.19 8 180.8 100.9 181 6 6 0 40.715 81.431 0.365 3.17 4 6.1 0.1 182 3 4 3 40.824 81.648 0.365 3.16 8 4.8 0.1 183 13 1 1 40.861 81.723 0.366 3.15 8 29.1 2.6 184 5 6 1 40.882 81.763 0.366 3.15 8 4.6 0.1 185 10 3 2 40.952 81.903 0.366 3.14 8 1.0 0.0 186 11 2 2 41.006 82.012 0.367 3.14 8 17.8 1.0 187 6 5 2 41.205 82.41 0.368 3.12 8 29.5 2.6 188 8 2 3 41.568 83.136 0.371 3.08 8 76.7 17.6 189 4 4 3 41.758 83.516 0.372 3.06 8 34.4 3.5 190 12 0 2 41.876 83.752 0.373 3.05 4 41.9 2.6 191 12 3 1 41.921 83.843 0.373 3.05 8 117.6 40.9 192 9 1 3 42.186 84.373 0.375 3.02 8 6.3 0.1 193 9 4 2 42.262 84.523 0.376 3.01 8 11.3 0.4 194 0 0 4 42.263 84.527 0.376 3.01 2 78.0 4.5 195 14 0 0 42.279 84.558 0.376 3.01 2 11.9 0.1 196 9 5 1 42.307 84.614 0.376 3.01 8 36.7 3.9 197 7 3 3 42.312 84.625 0.376 3.01 8 38.1 4.2 198 6 6 1 42.347 84.695 0.377 3.01 8 5.6 0.1 199 1 0 4 42.396 84.792 0.377 3.0 4 33.9 1.7 200 12 1 2 42.424 84.848 0.377 3.0 8 99.9 29.0 201 0 6 2 42.444 84.888 0.377 3.0 4 21.1 0.6 202 13 2 1 42.507 85.014 0.378 2.99 8 51.9 7.8 203 1 6 2 42.577 85.153 0.378 2.99 8 18.5 1.0 204 11 4 1 42.696 85.392 0.379 2.98 8 10.0 0.3 205 2 0 4 42.795 85.589 0.38 2.97 4 72.7 7.6 206 14 1 0 42.826 85.652 0.38 2.97 4 118.7 20.3 207 7 5 2 42.934 85.869 0.381 2.96 8 45.7 6.0 208 1 1 4 42.943 85.886 0.381 2.96 8 70.9 14.4 209 5 4 3 42.954 85.907 0.381 2.96 8 3.3 0.0 210 2 6 2 42.975 85.95 0.381 2.96 8 119.9 41.2 211 10 5 0 43.204 86.407 0.383 2.94 4 11.6 0.2 212 2 1 4 43.341 86.681 0.384 2.93 8 52.5 7.8 213 3 0 4 43.457 86.915 0.384 2.92 4 121.2 20.8 214 2 7 0 43.581 87.162 0.385 2.91 4 9.8 0.1 215 3 6 2 43.638 87.275 0.386 2.91 8 137.2 53.1 216 11 3 2 43.743 87.486 0.387 2.9 8 1.4 0.0 217 9 2 3 43.825 87.65 0.387 2.9 8 0.6 0.0 218 3 1 4 44.003 88.006 0.388 2.88 8 11.4 0.4 219 12 2 2 44.062 88.124 0.389 2.88 8 16.4 0.8 220 7 6 1 44.071 88.142 0.389 2.88 8 5.0 0.1 221 12 4 0 44.122 88.244 0.389 2.88 4 11.7 0.2 222 8 3 3 44.301 88.602 0.39 2.87 8 5.8 0.1 223 4 0 4 44.384 88.769 0.391 2.86 4 149.2 30.9 224 6 4 3 44.411 88.821 0.391 2.86 8 1.0 0.0 225 8 6 0 44.436 88.872 0.391 2.86 4 119.2 19.7 226 0 2 4 44.447 88.894 0.391 2.86 4 52.9 3.9 227 14 1 1 44.448 88.896 0.391 2.86 8 25.9 1.9 228 14 2 0 44.463 88.926 0.392 2.86 4 3.9 0.0 229 4 6 2 44.564 89.128 0.392 2.85 8 45.6 5.8 230 1 2 4 44.579 89.159 0.392 2.85 8 50.1 6.9 231 1 5 3 44.684 89.369 0.393 2.84 8 23.7 1.5 232 10 1 3 44.705 89.409 0.393 2.84 8 55.3 8.4 233 10 4 2 44.78 89.559 0.394 2.84 8 11.5 0.4 234 1 7 1 44.804 89.608 0.394 2.84 8 3.1 0.0 235 10 5 1 44.824 89.649 0.394 2.84 8 29.8 2.4 236 8 5 2 44.921 89.841 0.395 2.83 8 71.5 14.1 237 4 1 4 44.929 89.858 0.395 2.83 8 18.7 1.0 238 2 2 4 44.976 89.953 0.395 2.83 8 27.1 2.0 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 7.87 15.739 6.53279 384.1 63.7 64.7 5.6 2 4 0 0 11.082 22.164 4.6535 403.2 66.9 67.6 5.6 3 1 1 1 11.55 23.1 4.46735 16.9 2.8 2.8 5.6 4 2 1 1 12.523 25.046 4.12514 28.6 4.7 4.8 5.6 5 0 2 1 14.922 29.845 3.47352 20.4 3.4 3.4 5.6 6 4 1 1 15.864 31.728 3.27211 77.0 12.8 12.8 5.6 7 4 2 0 15.893 31.785 3.2664 464.6 77.1 77.3 5.6 8 2 2 1 15.954 31.907 3.25426 485.2 80.5 80.7 5.6 9 3 2 1 17.164 34.329 3.0309 527.6 87.5 87.6 5.7 10 6 1 0 17.72 35.44 2.93878 602.8 100.0 100.0 5.7 11 2 3 0 17.935 35.871 2.90463 26.7 4.4 4.4 5.7 12 5 1 1 18.002 36.003 2.8943 134.0 22.2 22.2 5.7 13 4 2 1 18.744 37.487 2.78358 266.9 44.3 44.2 5.7 14 0 0 2 19.65 39.3 2.65995 8.6 1.4 1.4 5.7 15 1 0 2 19.858 39.715 2.6332 71.8 11.9 11.9 5.7 16 1 3 1 19.928 39.856 2.62429 481.9 79.9 79.6 5.7 17 6 1 1 20.348 40.695 2.57238 39.4 6.5 6.5 5.7 18 2 0 2 20.471 40.942 2.55755 162.1 26.9 26.8 5.7 19 2 3 1 20.54 41.079 2.54938 278.1 46.1 45.9 5.7 20 5 2 1 20.621 41.243 2.53971 229.6 38.1 37.9 5.7 21 1 1 2 20.696 41.392 2.53096 41.1 6.8 6.8 5.7 22 2 1 2 21.289 42.578 2.46356 10.6 1.8 1.7 5.7 23 3 0 2 21.461 42.922 2.44476 271.8 45.1 44.8 5.7 24 3 3 1 21.527 43.054 2.43763 93.5 15.5 15.4 5.7 25 3 1 2 22.25 44.499 2.36229 28.9 4.8 4.8 5.7 26 8 0 0 22.608 45.216 2.32675 34.2 5.7 5.6 5.7 27 4 0 2 22.788 45.577 2.30931 43.0 7.1 7.1 5.7 28 7 1 1 22.861 45.721 2.30239 58.1 9.6 9.5 5.7 29 1 2 2 23.06 46.12 2.28354 16.9 2.8 2.8 5.7 30 4 1 2 23.542 47.083 2.23942 18.4 3.1 3.0 5.7 31 6 3 0 24.252 48.505 2.1776 6.6 1.1 1.1 5.7 32 5 0 2 24.411 48.823 2.16427 220.9 36.6 36.1 5.7 33 5 3 1 24.471 48.942 2.15931 273.1 45.3 44.7 5.7 34 7 2 1 25.064 50.127 2.11145 79.2 13.1 12.9 5.7 35 5 1 2 25.128 50.255 2.10642 70.8 11.7 11.6 5.8 36 1 4 1 25.308 50.616 2.09238 17.3 2.9 2.8 5.8 37 8 2 0 25.536 51.071 2.07496 40.1 6.7 6.5 5.8 38 4 4 0 25.777 51.554 2.05685 13.5 2.2 2.2 5.8 39 2 4 1 25.818 51.636 2.05381 56.6 9.4 9.2 5.8 40 6 3 1 26.349 52.698 2.0153 151.3 25.1 24.6 5.8 41 3 4 1 26.652 53.304 1.99402 21.2 3.5 3.4 5.8 42 8 2 1 27.562 55.123 1.93313 54.3 9.0 8.8 5.8 43 4 4 1 27.79 55.581 1.91846 15.1 2.5 2.4 5.8 44 3 3 2 27.934 55.868 1.90938 9.8 1.6 1.6 5.8 45 7 0 2 28.4 56.801 1.88058 92.1 15.3 14.9 5.8 46 7 3 1 28.454 56.908 1.87733 44.7 7.4 7.2 5.8 47 6 2 2 28.946 57.893 1.8481 20.3 3.4 3.3 5.8 48 4 3 2 29.039 58.078 1.84272 21.6 3.6 3.5 5.8 49 5 4 1 29.21 58.421 1.83284 30.7 5.1 5.0 5.8 50 10 1 0 29.362 58.724 1.82421 6.1 1.0 1.0 5.8 51 2 5 0 29.801 59.601 1.79977 120.0 19.9 19.3 5.8 52 9 2 1 30.221 60.442 1.77706 27.8 4.6 4.5 5.8 53 8 0 2 30.713 61.427 1.75129 12.1 2.0 1.9 5.8 54 8 3 1 30.765 61.529 1.74866 30.1 5.0 4.8 5.8 55 7 2 2 30.935 61.87 1.73997 36.5 6.1 5.9 5.8 56 1 4 2 31.148 62.296 1.72925 7.8 1.3 1.3 5.8 57 8 1 2 31.33 62.661 1.72021 14.9 2.5 2.4 5.8 58 2 1 3 31.511 63.021 1.71137 20.9 3.5 3.4 5.9 59 2 4 2 31.595 63.189 1.70729 24.0 4.0 3.8 5.9 60 2 5 1 31.645 63.29 1.70485 12.6 2.1 2.0 5.9 61 3 4 2 32.331 64.662 1.67248 8.0 1.3 1.3 5.9 62 3 5 1 32.381 64.762 1.67019 8.1 1.3 1.3 5.9 63 0 2 3 32.738 65.476 1.65396 156.6 26.0 25.0 5.9 64 1 2 3 32.883 65.767 1.64747 12.0 2.0 1.9 5.9 65 9 0 2 33.218 66.436 1.63274 66.3 11.0 10.6 5.9 66 9 3 1 33.267 66.534 1.63061 121.7 20.2 19.4 5.9 67 9 1 2 33.81 67.62 1.60747 26.5 4.4 4.2 5.9 68 6 5 0 34.504 69.008 1.57902 37.3 6.2 5.9 5.9 69 5 5 1 34.68 69.36 1.572 25.7 4.3 4.1 5.9 70 12 0 0 35.214 70.429 1.55117 59.6 9.9 9.4 5.9 71 9 2 2 35.557 71.114 1.53816 16.8 2.8 2.7 5.9 72 0 6 0 35.812 71.624 1.52867 126.5 21.0 20.0 5.9 73 10 3 1 35.957 71.913 1.52333 94.9 15.7 15.0 5.9 74 11 2 1 36.013 72.026 1.52126 7.9 1.3 1.2 5.9 75 2 3 3 36.226 72.453 1.51353 152.4 25.3 24.1 5.9 76 1 5 2 36.46 72.92 1.50517 19.2 3.2 3.0 6.0 77 3 5 2 37.561 75.122 1.46728 45.3 7.5 7.1 6.0 78 7 5 1 38.008 76.016 1.45259 25.5 4.2 4.0 6.0 79 11 0 2 38.791 77.582 1.42775 40.7 6.8 6.4 6.0 80 11 3 1 38.837 77.674 1.42633 110.8 18.4 17.3 6.0 81 12 2 1 39.163 78.325 1.41636 8.4 1.4 1.3 6.0 82 11 1 2 39.348 78.695 1.41076 34.1 5.7 5.3 6.0 83 0 4 3 39.616 79.233 1.40276 29.1 4.8 4.5 6.0 84 5 5 2 39.731 79.463 1.39937 14.3 2.4 2.2 6.0 85 6 3 3 40.579 81.158 1.37505 100.9 16.7 15.6 6.1 86 8 2 3 41.568 83.136 1.34807 17.6 2.9 2.7 6.1 87 12 3 1 41.921 83.843 1.33879 40.9 6.8 6.3 6.1 88 7 3 3 42.312 84.625 1.32872 8.2 1.4 1.3 6.1 89 12 1 2 42.424 84.848 1.32589 30.7 5.1 4.7 6.1 90 13 2 1 42.507 85.014 1.32379 7.8 1.3 1.2 6.1 91 2 0 4 42.795 85.589 1.3166 7.6 1.3 1.2 6.1 92 14 1 0 42.826 85.652 1.31582 20.3 3.4 3.1 6.1 93 1 1 4 42.943 85.886 1.31293 20.5 3.4 3.1 6.1 94 2 6 2 42.975 85.95 1.31215 41.2 6.8 6.3 6.1 95 2 1 4 43.341 86.681 1.30324 7.8 1.3 1.2 6.1 96 3 0 4 43.457 86.915 1.30044 20.8 3.5 3.2 6.1 97 3 6 2 43.638 87.275 1.29614 53.1 8.8 8.1 6.2 98 4 0 4 44.384 88.769 1.27877 30.9 5.1 4.7 6.2 99 8 6 0 44.436 88.872 1.2776 25.4 4.2 3.9 6.2 100 1 2 4 44.579 89.159 1.27435 12.7 2.1 1.9 6.2 101 10 1 3 44.705 89.409 1.27153 10.0 1.7 1.5 6.2 102 8 5 2 44.921 89.841 1.26671 15.0 2.5 2.3 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) |