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 *** *********************** CLINOFERROSILITE 16, t-pigeonite, syn, at 39.8 GPa, f-pyroxenes, sf-Mg-Fe(Mn)-pyroxenes, s-clinoenstatite Fe(2)Si(2)O(6) Monoclinic P 2(1)/c Z = 4 R =0.1476 NR =311 16 .6 .17 Ref.Str.: A. Pakhomova, L. Ismailova, E. Bykova, M. Bykov, T.B. Ballaran, L. Dubrovinsky (2017) * Amer. Mineral., 102, 666-673 R: N.A.D. Initial data from BDM-file Lattice parameters (cub. angs.,degr.): a = 9.1454 alpha = 90.0 b = 7.982 beta = 99.65 c = 4.5965 gamma = 90.0 Unit cell volume (cub. angs.) = 330.79 Molar volume ( cub.cm/mol.) = 49.81 Co-ordinates, thermal parameters, occupation for atomic positions: NoP x/a y/b z/c B(j) atom / occupation 1 0.2368 0.177 0.4003 0.0 Fe = 1.00 2 0.7269 0.0165 0.0835 0.0 Fe = 1.00 3 0.5224 0.1644 0.5033 0.0 Si = 1.00 4 0.066 0.8443 0.3317 0.0 Si = 1.00 5 0.4001 0.1811 0.1275 0.0 O = 1.00 6 0.3927 0.4831 0.0993 0.0 O = 1.00 7 0.6216 0.3127 0.3476 0.0 O = 1.00 8 0.1113 0.3506 0.2076 0.0 O = 1.00 9 0.1262 0.0051 0.1946 0.0 O = 1.00 10 0.1192 0.6756 0.1871 0.0 O = 1.00 Co-ordinates for all atomic positions : No NoP x/a y/b z/c 1 1 0.2368 0.177 0.4003 2 2 0.7269 0.0165 0.0835 3 3 0.5224 0.1644 0.5033 4 4 0.066 0.8443 0.3317 5 5 0.4001 0.1811 0.1275 6 6 0.3927 0.4831 0.0993 7 7 0.6216 0.3127 0.3476 8 8 0.1113 0.3506 0.2076 9 9 0.1262 0.0051 0.1946 10 10 0.1192 0.6756 0.1871 11 1 0.7632 0.677 0.0997 12 2 0.2731 0.5165 0.4165 13 3 0.4776 0.6644 0.9967 14 4 0.934 0.3443 0.1683 15 5 0.5999 0.6811 0.3725 16 6 0.6073 0.9831 0.4007 17 7 0.3784 0.8127 0.1524 18 8 0.8887 0.8506 0.2924 19 9 0.8738 0.5051 0.3054 20 10 0.8808 0.1756 0.3129 21 1 0.2368 0.323 0.9003 22 2 0.7269 0.4835 0.5835 23 3 0.5224 0.3356 0.0033 24 4 0.066 0.6557 0.8317 25 5 0.4001 0.3189 0.6275 26 6 0.3927 0.0169 0.5993 27 7 0.6216 0.1873 0.8476 28 8 0.1113 0.1494 0.7076 29 9 0.1262 0.4949 0.6946 30 10 0.1192 0.8244 0.6871 31 1 0.7632 0.823 0.5997 32 2 0.2731 0.9835 0.9165 33 3 0.4776 0.8356 0.4967 34 4 0.934 0.1557 0.6683 35 5 0.5999 0.8189 0.8725 36 6 0.6073 0.5169 0.9007 37 7 0.3784 0.6873 0.6524 38 8 0.8887 0.6494 0.7924 39 9 0.8738 0.9949 0.8054 40 10 0.8808 0.3244 0.8129 X-ray density (g/cm cub.) = 5.3 MU (1/cm) = 257.879 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 2.1052 5 1.9181 8 1.8654 9 2.0206 5 2.0167 6 1.9759 8 2 Fe 2.592 6 1.9818 6 2.0953 8 2.0516 10 1.9 7 2.0974 5 2.0113 9 3 Si 2.1 6 1.8984 5 1.719 7 1.744 6 1.8197 5 1.7783 6 1.697 7 4 Si 2.1 4 1.5696 9 1.6127 10 1.602 8 1.6322 10 5 O 3.264 12 2.415 6 2.3543 7 3.0443 8 2.933 9 2.62 6 2.9502 7 2.5482 5 2.5482 5 2.5442 6 2.7502 6 2.5754 7 3.0092 8 6 O 3.264 12 2.415 5 2.5948 7 2.9018 8 3.0198 10 2.62 5 2.6473 7 2.7502 5 2.5442 5 2.8089 9 2.3142 6 3.0409 7 2.608 7 7 O 3.264 12 2.3543 5 2.5948 6 2.9502 5 2.6473 6 2.8046 9 2.6406 10 2.5754 5 2.5069 7 2.5069 7 3.0409 6 2.608 6 2.9163 10 8 O 3.264 12 3.0443 5 2.9018 6 2.7622 9 2.5973 10 2.6019 9 2.6403 10 3.0092 5 2.8034 8 2.8034 8 2.5008 9 2.6487 9 2.5487 10 9 O 3.264 12 2.933 5 2.7622 8 2.631 10 2.8046 7 2.6018 8 2.7555 10 2.8089 6 2.6487 8 2.5008 8 2.6938 10 2.734 10 2.6739 9 10 O 3.264 12 3.0198 6 2.5973 8 2.631 9 2.6406 7 2.6403 8 2.7555 9 2.734 9 2.6938 9 2.5873 10 2.5873 10 2.9163 7 2.5487 8 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 0 5.694 11.387 0.055 200.23 2 13.7 69.2 2 1 1 0 8.608 17.215 0.084 86.35 4 50.8 813.4 3 2 0 0 11.444 22.889 0.111 47.91 2 80.9 572.6 4 0 2 0 12.951 25.902 0.125 36.96 2 12.7 10.9 5 0 1 1 13.119 26.239 0.127 35.96 4 2.1 0.6 6 2 1 0 13.172 26.344 0.127 35.66 4 3.8 1.8 7 1 1 -1 13.538 27.076 0.131 33.65 4 7.0 6.1 8 1 2 0 14.187 28.375 0.137 30.46 4 3.4 1.3 9 1 1 1 15.107 30.215 0.146 26.64 4 14.2 19.6 10 2 1 -1 16.192 32.383 0.156 22.94 4 43.2 156.7 11 3 0 0 17.315 34.63 0.166 19.83 2 20.7 15.5 12 0 2 1 17.377 34.753 0.167 19.68 4 7.3 3.8 13 2 2 0 17.417 34.835 0.167 19.58 4 61.2 267.8 14 1 2 -1 17.703 35.406 0.17 18.89 4 27.9 53.7 15 3 1 0 18.543 37.087 0.178 17.07 4 103.7 670.4 16 2 1 1 18.815 37.631 0.18 16.53 4 97.3 571.9 17 1 2 1 18.963 37.926 0.182 16.24 4 83.7 415.9 18 2 2 -1 19.862 39.723 0.19 14.66 4 70.1 263.5 19 3 1 -1 20.304 40.607 0.194 13.96 4 78.0 310.7 20 1 3 0 20.519 41.037 0.196 13.64 4 27.9 38.8 21 3 2 0 21.874 43.749 0.208 11.81 4 46.9 94.9 22 2 2 1 22.112 44.224 0.21 11.53 4 62.5 164.8 23 0 3 1 22.945 45.89 0.218 10.61 4 159.8 989.8 24 2 3 0 22.977 45.954 0.218 10.57 4 2.3 0.2 25 1 0 -2 22.991 45.983 0.218 10.56 2 181.7 637.3 26 1 3 -1 23.205 46.41 0.22 10.34 4 58.5 129.4 27 0 0 2 23.252 46.504 0.221 10.29 2 30.3 17.3 28 4 0 0 23.38 46.761 0.222 10.16 2 47.2 41.3 29 3 2 -1 23.427 46.855 0.222 10.12 4 112.8 470.3 30 3 1 1 23.562 47.124 0.223 9.99 4 16.1 9.4 31 1 1 -2 23.976 47.951 0.227 9.6 4 13.6 6.5 32 1 3 1 24.227 48.453 0.229 9.38 4 101.8 355.0 33 0 1 2 24.228 48.457 0.229 9.38 4 32.1 35.3 34 2 0 -2 24.27 48.541 0.23 9.34 2 75.8 98.1 35 4 1 0 24.353 48.705 0.231 9.27 4 47.5 76.3 36 2 3 -1 24.971 49.942 0.236 8.75 4 3.6 0.4 37 1 0 2 25.016 50.032 0.236 8.72 2 4.2 0.3 38 2 1 -2 25.217 50.434 0.238 8.56 4 64.3 129.3 39 4 1 -1 25.307 50.615 0.239 8.49 4 4.4 0.6 40 1 1 2 25.943 51.885 0.245 8.02 4 31.8 29.6 41 3 2 1 26.383 52.767 0.248 7.72 4 67.7 129.2 42 0 4 0 26.631 53.261 0.251 7.56 2 15.2 3.2 43 3 3 0 26.679 53.358 0.251 7.53 4 41.6 47.7 44 1 2 -2 26.764 53.529 0.252 7.47 4 10.6 3.0 45 2 3 1 26.884 53.769 0.253 7.4 4 146.7 581.8 46 3 0 -2 26.924 53.848 0.253 7.37 2 167.8 379.4 47 0 2 2 26.998 53.996 0.254 7.33 4 21.0 11.8 48 4 2 0 27.113 54.226 0.255 7.26 4 8.8 2.1 49 1 4 0 27.328 54.656 0.257 7.13 4 28.8 21.6 50 3 1 -2 27.806 55.611 0.261 6.85 4 35.4 31.5 51 2 2 -2 27.916 55.832 0.262 6.79 4 12.4 3.8 52 4 2 -1 28.0 56.0 0.262 6.75 4 42.6 44.8 53 3 3 -1 28.032 56.064 0.263 6.73 4 7.3 1.3 54 2 0 2 28.074 56.149 0.263 6.71 2 5.0 0.3 55 1 2 2 28.594 57.187 0.268 6.43 4 25.5 15.3 56 2 1 2 28.932 57.864 0.27 6.26 4 92.4 195.6 57 4 1 1 29.015 58.029 0.271 6.22 4 30.4 21.1 58 0 4 1 29.326 58.652 0.274 6.08 4 10.3 2.3 59 2 4 0 29.353 58.706 0.274 6.06 4 78.5 136.7 60 1 4 -1 29.545 59.09 0.276 5.97 4 2.2 0.1 61 5 0 0 29.738 59.477 0.277 5.89 2 55.1 32.7 62 3 2 -2 30.347 60.695 0.282 5.63 4 62.0 79.2 63 1 4 1 30.414 60.829 0.283 5.6 4 29.1 17.3 64 5 1 0 30.567 61.133 0.284 5.54 4 21.2 9.1 65 3 3 1 30.674 61.348 0.285 5.49 4 88.7 158.0 66 4 0 -2 30.71 61.42 0.285 5.48 2 65.7 43.2 67 5 1 -1 30.967 61.933 0.288 5.38 4 36.3 25.9 68 1 3 -2 31.02 62.041 0.288 5.36 4 22.3 9.7 69 2 4 -1 31.055 62.111 0.288 5.35 4 16.8 5.5 70 0 3 2 31.233 62.466 0.29 5.28 4 48.9 46.2 71 4 3 0 31.338 62.676 0.291 5.24 4 11.2 2.4 72 2 2 2 31.417 62.833 0.291 5.21 4 65.2 81.0 73 4 2 1 31.495 62.99 0.292 5.18 4 45.9 40.0 74 4 1 -2 31.523 63.046 0.292 5.17 4 64.8 79.4 75 2 3 -2 32.074 64.148 0.297 4.98 4 22.9 9.5 76 4 3 -1 32.151 64.303 0.297 4.95 4 122.8 273.0 77 3 0 2 32.191 64.383 0.298 4.94 2 157.2 223.1 78 3 4 0 32.551 65.102 0.301 4.82 4 42.7 32.2 79 1 3 2 32.699 65.397 0.302 4.78 4 14.9 3.9 80 2 4 1 32.733 65.466 0.302 4.77 4 53.3 49.5 81 5 2 0 32.978 65.957 0.304 4.69 4 44.2 33.4 82 3 1 2 32.984 65.968 0.304 4.69 4 10.3 1.8 83 5 2 -1 33.362 66.724 0.307 4.58 4 37.0 23.0 84 3 4 -1 33.757 67.513 0.311 4.47 4 87.8 125.7 85 4 2 -2 33.897 67.794 0.312 4.43 4 39.7 25.5 86 3 3 -2 34.33 68.661 0.315 4.31 4 2.2 0.1 87 1 5 0 34.681 69.363 0.318 4.22 4 54.6 46.0 88 5 1 1 35.086 70.172 0.321 4.12 4 33.8 17.2 89 3 2 2 35.308 70.616 0.323 4.07 4 20.2 6.1 90 2 3 2 35.335 70.67 0.323 4.07 4 25.2 9.5 91 4 3 1 35.409 70.818 0.324 4.05 4 144.6 309.5 92 5 0 -2 35.442 70.883 0.324 4.04 2 150.2 166.7 93 3 4 1 36.16 72.321 0.33 3.89 4 32.7 15.2 94 5 1 -2 36.2 72.4 0.33 3.88 4 34.2 16.6 95 0 5 1 36.445 72.89 0.332 3.83 4 0.5 0.0 96 2 5 0 36.469 72.939 0.332 3.82 4 10.0 1.4 97 1 1 -3 36.473 72.946 0.332 3.82 4 3.1 0.1 98 1 4 -2 36.48 72.96 0.332 3.82 4 3.2 0.1 99 6 0 0 36.53 73.061 0.333 3.81 2 132.6 122.5 100 1 5 -1 36.641 73.283 0.334 3.79 4 11.1 1.7 101 0 4 2 36.677 73.354 0.334 3.78 4 24.5 8.3 102 4 4 0 36.774 73.548 0.335 3.76 4 10.9 1.6 103 5 3 0 36.815 73.629 0.335 3.76 4 40.5 22.6 104 2 1 -3 37.06 74.121 0.337 3.71 4 19.9 5.4 105 0 1 3 37.062 74.124 0.337 3.71 4 3.7 0.2 106 5 3 -1 37.18 74.361 0.338 3.69 4 175.4 414.4 107 4 0 2 37.218 74.437 0.338 3.68 2 154.5 160.4 108 6 1 -1 37.254 74.508 0.338 3.67 4 27.0 9.8 109 6 1 0 37.28 74.559 0.339 3.67 4 33.5 15.0 110 5 2 1 37.351 74.701 0.339 3.66 4 10.7 1.5 111 1 5 1 37.424 74.847 0.34 3.64 4 16.4 3.6 112 2 4 -2 37.458 74.915 0.34 3.64 4 6.7 0.6 113 4 4 -1 37.53 75.06 0.341 3.62 4 3.7 0.2 114 4 3 -2 37.691 75.383 0.342 3.6 4 15.5 3.2 115 4 1 2 37.963 75.925 0.344 3.55 4 24.5 7.8 116 2 5 -1 38.006 76.011 0.344 3.54 4 14.1 2.6 117 1 4 2 38.041 76.083 0.344 3.54 4 40.3 21.0 118 5 2 -2 38.439 76.878 0.348 3.47 4 7.0 0.6 119 1 2 -3 38.706 77.413 0.35 3.43 4 1.5 0.0 120 3 1 -3 38.805 77.609 0.35 3.42 4 41.7 21.7 121 1 1 3 38.807 77.615 0.35 3.42 4 75.4 71.0 122 3 3 2 39.046 78.093 0.352 3.38 4 16.1 3.2 123 2 2 -3 39.282 78.565 0.354 3.35 4 24.7 7.5 124 0 2 3 39.284 78.567 0.354 3.35 4 63.6 49.6 125 3 5 0 39.378 78.757 0.355 3.34 4 105.6 136.1 126 6 2 -1 39.472 78.945 0.355 3.32 4 17.1 3.5 127 6 2 0 39.497 78.995 0.356 3.32 4 1.7 0.0 128 2 5 1 39.547 79.093 0.356 3.31 4 29.4 10.5 129 3 4 -2 39.579 79.159 0.356 3.31 4 88.6 95.0 130 4 2 2 40.169 80.337 0.361 3.23 4 26.0 8.0 131 3 5 -1 40.5 81.0 0.363 3.19 4 54.6 34.8 132 2 4 2 40.536 81.071 0.363 3.19 4 47.1 25.9 133 4 4 1 40.606 81.213 0.364 3.18 4 36.9 15.8 134 3 2 -3 40.998 81.997 0.367 3.14 4 23.0 6.1 135 1 2 3 41.001 82.002 0.367 3.14 4 14.0 2.2 136 5 3 1 41.026 82.052 0.367 3.14 4 9.2 1.0 137 6 0 -2 41.056 82.113 0.367 3.13 2 7.0 0.3 138 4 1 -3 41.664 83.329 0.372 3.07 4 37.4 15.7 139 2 1 3 41.668 83.336 0.372 3.07 4 38.4 16.5 140 6 1 -2 41.782 83.563 0.372 3.06 4 27.0 8.2 141 6 1 1 41.856 83.711 0.373 3.05 4 50.8 28.8 142 5 4 0 41.956 83.912 0.374 3.04 4 5.0 0.3 143 5 3 -2 42.088 84.177 0.375 3.03 4 4.1 0.2 144 0 6 0 42.249 84.499 0.376 3.02 2 223.3 274.9 145 5 4 -1 42.309 84.619 0.376 3.01 4 31.7 11.0 146 1 3 -3 42.351 84.701 0.377 3.01 4 235.0 607.1 147 3 5 1 42.773 85.546 0.38 2.97 4 26.7 7.8 148 4 4 -2 42.805 85.609 0.38 2.97 4 20.0 4.3 149 1 6 0 42.815 85.631 0.38 2.97 4 4.8 0.2 150 2 3 -3 42.916 85.832 0.381 2.96 4 38.7 16.2 151 0 3 3 42.917 85.834 0.381 2.96 4 24.0 6.2 152 1 5 -2 43.079 86.158 0.382 2.95 4 2.2 0.1 153 6 3 -1 43.103 86.205 0.382 2.95 4 113.6 138.9 154 6 3 0 43.127 86.254 0.382 2.94 4 4.5 0.2 155 5 0 2 43.14 86.28 0.382 2.94 2 130.7 91.9 156 0 5 2 43.268 86.535 0.383 2.93 4 39.3 16.6 157 4 5 0 43.361 86.722 0.384 2.93 4 9.5 1.0 158 4 3 2 43.789 87.577 0.387 2.9 4 11.2 1.3 159 4 2 -3 43.83 87.66 0.387 2.9 4 85.2 76.9 160 2 2 3 43.834 87.668 0.387 2.89 4 81.1 69.6 161 5 1 2 43.86 87.721 0.387 2.89 4 24.6 6.4 162 6 2 -2 43.947 87.893 0.388 2.89 4 24.5 6.3 163 7 0 0 43.984 87.968 0.388 2.89 2 13.3 0.9 164 2 5 -2 44.02 88.039 0.388 2.88 4 63.6 42.7 165 6 2 1 44.02 88.041 0.388 2.88 4 33.5 11.8 166 4 5 -1 44.09 88.179 0.389 2.88 4 34.1 12.2 167 3 4 2 44.125 88.251 0.389 2.88 4 18.5 3.6 168 7 1 -1 44.303 88.606 0.39 2.87 4 80.0 67.0 169 0 6 1 44.486 88.972 0.392 2.86 4 45.6 21.7 170 2 6 0 44.509 89.018 0.392 2.85 4 40.9 17.5 171 1 5 2 44.585 89.17 0.392 2.85 4 49.3 25.3 172 3 3 -3 44.609 89.217 0.393 2.85 4 63.4 41.9 173 1 3 3 44.611 89.223 0.393 2.85 4 35.6 13.2 174 1 6 -1 44.674 89.347 0.393 2.85 4 71.9 53.8 175 7 1 0 44.704 89.407 0.393 2.84 4 68.8 49.1 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 1 0 0 5.694 11.387 9.01599 69.2 7.0 7.2 5.6 2 1 1 0 8.608 17.215 5.97641 813.4 82.2 84.2 5.6 3 2 0 0 11.444 22.889 4.508 572.6 57.9 59.1 5.6 4 0 2 0 12.951 25.902 3.991 10.9 1.1 1.1 5.6 5 1 1 1 15.107 30.215 3.43193 19.6 2.0 2.0 5.6 6 2 1 -1 16.192 32.383 3.20765 156.7 15.8 16.0 5.6 7 3 0 0 17.315 34.63 3.00533 15.5 1.6 1.6 5.7 8 2 2 0 17.417 34.835 2.98821 267.8 27.1 27.4 5.7 9 1 2 -1 17.703 35.406 2.94146 53.7 5.4 5.5 5.7 10 3 1 0 18.543 37.087 2.81258 670.4 67.7 68.3 5.7 11 2 1 1 18.815 37.631 2.77335 571.9 57.8 58.3 5.7 12 1 2 1 18.963 37.926 2.75252 415.9 42.0 42.4 5.7 13 2 2 -1 19.862 39.723 2.6327 263.5 26.6 26.8 5.7 14 3 1 -1 20.304 40.607 2.57774 310.7 31.4 31.6 5.7 15 1 3 0 20.519 41.037 2.55187 38.8 3.9 3.9 5.7 16 3 2 0 21.874 43.749 2.40077 94.9 9.6 9.6 5.7 17 2 2 1 22.112 44.224 2.37623 164.8 16.6 16.7 5.7 18 0 3 1 22.945 45.89 2.2944 989.8 100.0 100.0 5.7 19 1 0 -2 22.991 45.983 2.29002 637.3 64.4 64.4 5.7 20 1 3 -1 23.205 46.41 2.27006 129.4 13.1 13.1 5.7 21 0 0 2 23.252 46.504 2.26573 17.3 1.7 1.7 5.7 22 4 0 0 23.38 46.761 2.254 41.3 4.2 4.2 5.7 23 3 2 -1 23.427 46.855 2.24971 470.3 47.5 47.5 5.7 24 1 3 1 24.227 48.453 2.17976 390.3 39.4 39.3 5.7 25 2 0 -2 24.27 48.541 2.17607 98.1 9.9 9.9 5.7 26 4 1 0 24.353 48.705 2.16917 76.3 7.7 7.7 5.7 27 2 1 -2 25.217 50.434 2.09945 129.3 13.1 13.0 5.8 28 1 1 2 25.943 51.885 2.04462 29.6 3.0 3.0 5.8 29 3 2 1 26.383 52.767 2.01286 129.2 13.1 12.9 5.8 30 3 3 0 26.679 53.358 1.99214 47.7 4.8 4.8 5.8 31 2 3 1 26.884 53.769 1.97805 581.8 58.8 58.2 5.8 32 3 0 -2 26.924 53.848 1.97535 379.4 38.3 38.0 5.8 33 0 2 2 26.998 53.996 1.97035 11.8 1.2 1.2 5.8 34 1 4 0 27.328 54.656 1.94835 21.6 2.2 2.2 5.8 35 3 1 -2 27.806 55.611 1.9175 31.5 3.2 3.1 5.8 36 4 2 -1 28.0 56.0 1.90523 44.8 4.5 4.5 5.8 37 1 2 2 28.594 57.187 1.86893 15.3 1.5 1.5 5.8 38 2 1 2 28.932 57.864 1.84892 195.6 19.8 19.5 5.8 39 4 1 1 29.015 58.029 1.84412 21.1 2.1 2.1 5.8 40 2 4 0 29.353 58.706 1.82472 139.1 14.1 13.8 5.8 41 5 0 0 29.738 59.477 1.8032 32.7 3.3 3.2 5.8 42 3 2 -2 30.347 60.695 1.77036 79.2 8.0 7.8 5.8 43 1 4 1 30.414 60.829 1.76684 17.3 1.7 1.7 5.8 44 3 3 1 30.674 61.348 1.75332 158.0 16.0 15.6 5.8 45 4 0 -2 30.71 61.42 1.75148 43.2 4.4 4.3 5.8 46 5 1 -1 30.967 61.933 1.73837 25.9 2.6 2.6 5.8 47 0 3 2 31.233 62.466 1.72502 46.2 4.7 4.6 5.8 48 2 2 2 31.417 62.833 1.71597 81.0 8.2 8.0 5.9 49 4 1 -2 31.523 63.046 1.71077 119.4 12.1 11.8 5.9 50 4 3 -1 32.151 64.303 1.68081 273.0 27.6 26.9 5.9 51 3 0 2 32.191 64.383 1.67895 223.1 22.5 22.0 5.9 52 3 4 0 32.551 65.102 1.66241 32.2 3.2 3.2 5.9 53 2 4 1 32.733 65.466 1.6542 49.5 5.0 4.9 5.9 54 5 2 0 32.978 65.957 1.64326 35.3 3.6 3.5 5.9 55 5 2 -1 33.362 66.724 1.6265 23.0 2.3 2.3 5.9 56 3 4 -1 33.757 67.513 1.60971 125.7 12.7 12.3 5.9 57 4 2 -2 33.897 67.794 1.60383 25.5 2.6 2.5 5.9 58 1 5 0 34.681 69.363 1.57195 46.0 4.7 4.5 5.9 59 5 1 1 35.086 70.172 1.55611 17.2 1.7 1.7 5.9 60 2 3 2 35.335 70.67 1.54656 15.5 1.6 1.5 5.9 61 4 3 1 35.409 70.818 1.54374 309.5 31.3 30.2 5.9 62 5 0 -2 35.442 70.883 1.54251 166.7 16.8 16.2 5.9 63 3 4 1 36.16 72.321 1.51591 15.2 1.5 1.5 5.9 64 5 1 -2 36.2 72.4 1.51449 16.6 1.7 1.6 5.9 65 6 0 0 36.53 73.061 1.50267 122.5 12.4 11.9 6.0 66 5 3 0 36.815 73.629 1.49269 22.6 2.3 2.2 6.0 67 5 3 -1 37.18 74.361 1.4801 414.4 41.9 40.1 6.0 68 4 0 2 37.218 74.437 1.4788 160.4 16.2 15.5 6.0 69 6 1 0 37.28 74.559 1.47673 24.8 2.5 2.4 6.0 70 1 4 2 38.041 76.083 1.4515 21.0 2.1 2.0 6.0 71 1 1 3 38.807 77.615 1.42725 92.7 9.4 8.9 6.0 72 0 2 3 39.284 78.567 1.41269 57.1 5.8 5.5 6.0 73 3 5 0 39.378 78.757 1.40984 136.1 13.7 13.1 6.0 74 2 5 1 39.547 79.093 1.40482 10.5 1.1 1.0 6.0 75 3 4 -2 39.579 79.159 1.40385 95.0 9.6 9.1 6.0 76 3 5 -1 40.5 81.0 1.37726 34.8 3.5 3.3 6.1 77 2 4 2 40.536 81.071 1.37626 25.9 2.6 2.5 6.1 78 4 4 1 40.606 81.213 1.37428 15.8 1.6 1.5 6.1 79 2 1 3 41.668 83.336 1.34543 32.3 3.3 3.1 6.1 80 6 1 1 41.856 83.711 1.3405 28.8 2.9 2.7 6.1 81 0 6 0 42.249 84.499 1.33033 274.9 27.8 26.0 6.1 82 5 4 -1 42.309 84.619 1.3288 11.0 1.1 1.0 6.1 83 1 3 -3 42.351 84.701 1.32775 607.1 61.3 57.4 6.1 84 2 3 -3 42.916 85.832 1.3136 22.4 2.3 2.1 6.1 85 6 3 -1 43.103 86.205 1.30902 139.1 14.1 13.1 6.1 86 5 0 2 43.14 86.28 1.30811 91.9 9.3 8.7 6.1 87 0 5 2 43.268 86.535 1.305 16.6 1.7 1.6 6.1 88 4 2 -3 43.83 87.66 1.2916 152.9 15.4 14.3 6.2 89 2 5 -2 44.02 88.039 1.28717 54.5 5.5 5.1 6.2 90 4 5 -1 44.09 88.179 1.28555 12.2 1.2 1.1 6.2 91 7 1 -1 44.303 88.606 1.28063 67.0 6.8 6.3 6.2 92 0 6 1 44.486 88.972 1.27646 39.2 4.0 3.7 6.2 93 3 3 -3 44.609 89.217 1.27369 80.4 8.1 7.5 6.2 94 1 6 -1 44.674 89.347 1.27222 103.0 10.4 9.6 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) |