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 *** *********************** EPIDOTE 12, t-epidote, syn, f-epidote, s-epidote Ca(2)Al(2)(Fe,Mn)Si(3)O(12)(OH) Monoclinic P 2(1)/m Z = 2 P2(1)/m 1 .8 .13 Ref.Str.: Nagashima M., Akasada M. (2010) * Amer. Mineral., 95, 1237-1246 R: N.A.D Initial data from BDM-file Lattice parameters (cub. angs.,degr.): a = 8.8831 alpha = 90.0 b = 5.6687 beta = 115.45 c = 10.1715 gamma = 90.0 Unit cell volume (cub. angs.) = 462.49 Molar volume ( cub.cm/mol.) = 139.29 Co-ordinates, thermal parameters, occupation for atomic positions: NoP x/a y/b z/c B(j) atom / occupation 1 0.7558 0.75 0.1547 0.0 Ca = 1.00 2 0.5993 0.75 0.4212 0.0 Ca = 1.00 3 0.0 0.0 0.0 0.0 Al = 0.78, Fe = 0.01, Mn = 0.21 4 0.0 0.0 0.5 0.0 Al = 1.00 5 0.3002 0.25 0.2253 0.0 Fe = 0.11, Al = 0.32, Mn = 0.57 6 0.3408 0.75 0.0469 0.0 Si = 1.00 7 0.6867 0.25 0.2784 0.0 Si = 1.00 8 0.1879 0.75 0.3226 0.0 Si = 1.00 9 0.2313 0.983 0.0329 0.0 O = 1.00 10 0.3097 0.981 0.362 0.0 O = 1.00 11 0.796 0.016 0.3449 0.0 O = 1.00 12 0.066 0.25 0.133 0.0 O = 1.00 13 0.042 0.75 0.153 0.0 O = 1.00 14 0.062 0.75 0.409 0.0 O = 1.00 15 0.522 0.75 0.182 0.0 O = 1.00 16 0.525 0.25 0.303 0.0 O = 1.00 17 0.622 0.25 0.1 0.0 O = 1.00 18 0.075 0.25 0.417 0.0 OH = 1.00 Co-ordinates for all atomic positions : No NoP x/a y/b z/c 1 1 0.7558 0.75 0.1547 2 2 0.5993 0.75 0.4212 3 3 0.0 0.0 0.0 4 4 0.0 0.0 0.5 5 5 0.3002 0.25 0.2253 6 6 0.3408 0.75 0.0469 7 7 0.6867 0.25 0.2784 8 8 0.1879 0.75 0.3226 9 9 0.2313 0.983 0.0329 10 10 0.3097 0.981 0.362 11 11 0.796 0.016 0.3449 12 12 0.066 0.25 0.133 13 13 0.042 0.75 0.153 14 14 0.062 0.75 0.409 15 15 0.522 0.75 0.182 16 16 0.525 0.25 0.303 17 17 0.622 0.25 0.1 18 18 0.075 0.25 0.417 19 1 0.2442 0.25 0.8453 20 2 0.4007 0.25 0.5788 21 3 0.0 0.5 0.0 22 4 0.0 0.5 0.5 23 5 0.6998 0.75 0.7747 24 6 0.6592 0.25 0.9531 25 7 0.3133 0.75 0.7216 26 8 0.8121 0.25 0.6774 27 9 0.7687 0.483 0.9671 28 10 0.6903 0.481 0.638 29 11 0.204 0.516 0.6551 30 12 0.934 0.75 0.867 31 13 0.958 0.25 0.847 32 14 0.938 0.25 0.591 33 15 0.478 0.25 0.818 34 16 0.475 0.75 0.697 35 17 0.378 0.75 0.9 36 18 0.925 0.75 0.583 37 9 0.2313 0.517 0.0329 38 10 0.3097 0.519 0.362 39 11 0.796 0.484 0.3449 40 9 0.7687 0.017 0.9671 41 10 0.6903 0.019 0.638 42 11 0.204 0.984 0.6551 X-ray density (g/cm cub.) = 3.44 MU (1/cm) = 255.931 Mass attenuation coefficient (cm**2/g) = 74.333 Selected interatomic distances (cation-anion,anion-anion): NoP Atom Rad.sph. C.N. Distance NoP N. (angs.) (angs.) 1 Ca 2.928 7 2.3559 11 2.5498 13 2.8359 14 2.2105 15 2.4765 9 2.3559 11 2.4765 9 2 Ca 2.928 8 2.7137 10 2.6636 11 2.226 15 2.5119 10 2.6433 18 2.7137 10 2.6636 11 2.5119 10 3 Al ,Fe ,Mn 2.772 6 1.937 9 1.871 12 2.0175 13 1.871 12 2.0175 13 1.937 9 4 Al 2.364 6 1.8232 11 1.8991 14 1.9101 18 1.8991 14 1.9101 18 1.8232 11 5 Fe ,Al ,Mn 2.772 6 2.3379 9 2.0408 10 1.8791 12 1.8044 16 2.3379 9 2.0408 10 6 Si 2.148 4 1.6099 9 1.6057 15 1.6632 17 1.6099 9 7 Si 2.148 4 1.611 11 1.5604 16 1.6513 17 1.611 11 8 Si 2.148 4 1.635 10 1.6535 13 1.6935 14 1.635 10 9 O 3.312 10 3.1124 10 2.6016 12 2.7982 13 2.7105 15 3.2381 16 2.7815 12 2.7955 13 2.6046 17 3.0271 9 2.6416 9 10 O 3.312 8 3.1124 9 2.8467 12 2.7467 13 2.7729 14 2.7073 16 2.8262 18 3.0498 10 2.6189 10 11 O 3.312 9 2.6378 14 2.7345 15 2.6181 16 2.6542 17 2.6225 18 2.6273 14 2.6584 18 2.653 11 3.0157 11 12 O 3.312 10 2.6016 9 2.8467 10 2.8562 13 2.8562 13 2.8553 18 2.7815 9 2.6428 13 2.6016 9 2.8467 10 2.7815 9 13 O 3.312 10 2.7982 9 2.7467 10 2.8562 12 2.8562 12 2.5326 14 2.7955 9 2.6428 12 2.7982 9 2.7467 10 2.7955 9 14 O 3.312 10 2.7729 10 2.6378 11 2.5326 13 2.8364 18 2.8364 18 2.6274 11 2.5425 18 2.7729 10 2.6378 11 2.6274 11 15 O 3.312 9 2.7105 9 2.7345 11 3.0856 16 3.0856 16 3.1867 17 3.1867 17 2.5904 17 2.7105 9 2.7345 11 16 O 3.312 9 3.2381 9 2.7073 10 2.6181 11 3.0856 15 3.0856 15 2.5564 17 3.2381 9 2.7073 10 2.6181 11 17 O 3.312 8 2.6542 11 3.1867 15 3.1867 15 2.5564 16 2.6046 9 2.5904 15 2.6542 11 2.6046 9 18 OH 3.36 10 2.8262 10 2.6225 11 2.8553 12 2.8364 14 2.8364 14 2.6584 11 2.5425 14 2.8262 10 2.6225 11 2.6584 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 0 0 1 5.589 11.178 0.054 207.9 2 8.2 13.0 2 1 0 0 6.403 12.805 0.062 157.87 2 14.4 30.7 3 1 0 -1 6.441 12.883 0.063 155.94 2 13.2 25.5 4 1 0 1 10.183 20.365 0.099 61.08 2 5.0 1.4 5 1 0 -2 10.257 20.514 0.1 60.17 2 59.8 200.9 6 0 1 1 10.686 21.372 0.104 55.27 4 5.8 3.5 7 1 1 0 11.141 22.281 0.108 50.68 4 9.8 9.1 8 1 1 -1 11.163 22.327 0.108 50.46 4 16.7 26.3 9 0 0 2 11.232 22.463 0.109 49.82 2 3.9 0.7 10 2 0 -1 11.618 23.237 0.113 46.43 2 3.0 0.4 11 2 0 0 12.887 25.774 0.125 37.35 2 50.4 88.8 12 2 0 -2 12.966 25.932 0.125 36.87 2 63.2 137.8 13 1 1 1 13.707 27.415 0.132 32.78 4 22.4 30.8 14 1 1 -2 13.763 27.527 0.133 32.49 4 17.7 19.0 15 0 1 2 14.517 29.034 0.14 29.01 4 0.6 0.0 16 2 1 -1 14.824 29.647 0.143 27.74 4 63.7 210.4 17 1 0 2 15.234 30.467 0.147 26.16 2 59.5 86.7 18 1 0 -3 15.319 30.637 0.148 25.85 2 5.1 0.6 19 2 1 0 15.855 31.71 0.153 24.01 4 10.5 4.9 20 2 1 -2 15.92 31.841 0.153 23.79 4 7.6 2.5 21 2 0 1 16.206 32.412 0.156 22.9 2 53.5 61.3 22 2 0 -3 16.335 32.669 0.157 22.51 2 13.4 3.8 23 0 0 3 16.988 33.975 0.163 20.67 2 41.6 33.5 24 3 0 -1 17.795 35.59 0.171 18.68 2 24.7 10.6 25 3 0 -2 17.84 35.679 0.171 18.58 2 75.4 98.7 26 1 1 2 17.848 35.696 0.171 18.56 4 20.8 15.1 27 1 1 -3 17.922 35.844 0.172 18.39 4 142.2 695.6 28 0 2 0 18.396 36.791 0.176 17.37 2 125.1 254.0 29 2 1 1 18.7 37.4 0.179 16.75 4 43.8 60.2 30 2 1 -3 18.813 37.627 0.18 16.53 4 23.2 16.7 31 0 2 1 19.285 38.57 0.185 15.65 4 8.4 2.0 32 0 1 3 19.393 38.787 0.186 15.46 4 83.8 203.1 33 3 0 0 19.545 39.089 0.187 15.19 2 94.0 125.6 34 1 2 0 19.554 39.109 0.187 15.18 4 74.9 159.1 35 1 2 -1 19.568 39.136 0.187 15.15 4 11.2 3.6 36 3 0 -3 19.668 39.335 0.188 14.98 2 12.9 2.3 37 3 1 -1 20.117 40.235 0.192 14.25 4 100.7 270.4 38 3 1 -2 20.158 40.315 0.193 14.19 4 21.6 12.3 39 2 0 2 20.706 41.412 0.198 13.36 2 90.1 101.3 40 1 0 3 20.774 41.547 0.198 13.26 2 5.7 0.4 41 2 0 -4 20.862 41.725 0.199 13.14 2 9.1 1.0 42 1 0 -4 20.865 41.73 0.199 13.14 2 41.1 20.8 43 1 2 1 21.206 42.412 0.202 12.67 4 14.9 5.2 44 1 2 -2 21.244 42.489 0.203 12.62 4 52.9 66.1 45 3 1 0 21.709 43.417 0.207 12.02 4 8.4 1.6 46 0 2 2 21.768 43.536 0.207 11.94 4 94.6 199.7 47 3 1 -3 21.821 43.643 0.208 11.88 4 96.3 206.1 48 2 2 -1 21.985 43.97 0.209 11.68 4 32.7 23.4 49 2 2 0 22.733 45.466 0.216 10.83 4 13.7 3.8 50 3 0 1 22.739 45.477 0.216 10.83 2 12.7 1.6 51 2 1 2 22.779 45.559 0.216 10.78 4 27.5 15.2 52 2 2 -2 22.781 45.562 0.216 10.78 4 61.4 76.1 53 1 1 3 22.842 45.684 0.217 10.71 4 40.2 32.3 54 3 0 -4 22.92 45.84 0.218 10.63 2 32.3 10.4 55 2 1 -4 22.924 45.848 0.218 10.63 4 38.9 30.1 56 1 1 -4 22.927 45.853 0.218 10.63 4 25.7 13.1 57 0 0 4 22.927 45.853 0.218 10.63 2 9.3 0.9 58 4 0 -2 23.752 47.504 0.225 9.81 2 18.7 3.2 59 1 2 2 24.245 48.491 0.23 9.36 4 15.5 4.2 60 1 2 -3 24.303 48.606 0.23 9.31 4 50.8 45.0 61 4 0 -1 24.435 48.87 0.231 9.2 2 112.2 108.2 62 4 0 -3 24.527 49.053 0.232 9.12 2 44.5 16.9 63 3 1 1 24.676 49.353 0.233 8.99 4 2.3 0.1 64 3 1 -4 24.847 49.694 0.235 8.85 4 6.4 0.7 65 0 1 4 24.853 49.707 0.235 8.85 4 30.8 15.7 66 2 2 1 24.916 49.832 0.235 8.8 4 89.2 131.0 67 2 2 -3 25.006 50.012 0.236 8.73 4 86.3 121.5 68 0 2 3 25.471 50.943 0.24 8.37 4 78.9 97.3 69 4 1 -2 25.632 51.264 0.242 8.25 4 19.5 5.9 70 2 0 3 25.922 51.845 0.244 8.04 2 76.2 43.6 71 3 2 -1 26.06 52.119 0.246 7.94 4 31.1 14.3 72 3 2 -2 26.092 52.185 0.246 7.92 4 18.5 5.1 73 2 0 -5 26.098 52.196 0.246 7.92 2 12.0 1.1 74 4 1 -1 26.278 52.557 0.247 7.79 4 9.7 1.4 75 4 1 -3 26.365 52.731 0.248 7.73 4 1.7 0.0 76 4 0 0 26.491 52.982 0.249 7.65 2 73.7 38.9 77 4 0 -4 26.664 53.327 0.251 7.54 2 17.7 2.2 78 1 0 4 26.674 53.348 0.251 7.53 2 17.6 2.2 79 1 0 -5 26.771 53.541 0.252 7.47 2 44.8 14.0 80 3 0 2 26.982 53.965 0.254 7.34 2 14.5 1.4 81 3 0 -5 27.206 54.412 0.256 7.2 2 34.9 8.2 82 3 2 0 27.381 54.761 0.257 7.1 4 16.3 3.5 83 3 2 -3 27.476 54.951 0.258 7.04 4 14.0 2.6 84 2 1 3 27.695 55.389 0.26 6.92 4 44.5 25.6 85 2 1 -5 27.862 55.725 0.261 6.82 4 1.0 0.0 86 4 1 0 28.238 56.477 0.264 6.62 4 2.4 0.1 87 2 2 2 28.289 56.579 0.265 6.59 4 73.8 67.1 88 1 2 3 28.343 56.686 0.265 6.56 4 18.3 4.1 89 4 1 -4 28.404 56.808 0.266 6.53 4 7.8 0.7 90 2 2 -4 28.413 56.827 0.266 6.53 4 86.9 92.2 91 1 1 4 28.414 56.828 0.266 6.52 4 43.8 23.4 92 1 2 -4 28.415 56.831 0.266 6.52 4 56.5 38.9 93 1 1 -5 28.507 57.013 0.267 6.48 4 48.2 28.2 94 3 1 2 28.71 57.419 0.269 6.37 4 35.6 15.1 95 0 3 1 28.9 57.8 0.27 6.28 4 1.9 0.0 96 3 1 -5 28.924 57.849 0.27 6.27 4 7.4 0.6 97 1 3 0 29.099 58.199 0.272 6.18 4 32.1 11.9 98 1 3 -1 29.11 58.219 0.272 6.18 4 14.5 2.4 99 0 0 5 29.14 58.28 0.272 6.16 2 37.1 7.9 100 4 0 1 29.72 59.44 0.277 5.9 2 30.5 5.1 101 3 2 1 29.933 59.867 0.279 5.8 4 23.1 5.8 102 4 0 -5 29.96 59.921 0.279 5.79 2 1.8 0.0 103 3 2 -4 30.083 60.166 0.28 5.74 4 5.9 0.4 104 0 2 4 30.089 60.177 0.28 5.74 4 40.6 17.7 105 1 3 1 30.351 60.703 0.282 5.63 4 20.9 4.6 106 5 0 -2 30.361 60.723 0.283 5.62 2 78.8 32.6 107 1 3 -2 30.381 60.762 0.283 5.61 4 14.8 2.3 108 5 0 -3 30.411 60.822 0.283 5.6 2 37.7 7.5 109 4 2 -2 30.776 61.552 0.286 5.45 4 37.8 14.6 110 0 1 5 30.788 61.577 0.286 5.45 4 38.8 15.4 111 0 3 2 30.789 61.577 0.286 5.45 4 2.4 0.1 112 2 3 -1 30.959 61.918 0.288 5.38 4 51.9 27.1 113 4 1 1 31.35 62.701 0.291 5.24 4 11.7 1.3 114 4 2 -1 31.352 62.704 0.291 5.24 4 19.5 3.7 115 4 2 -3 31.43 62.859 0.291 5.21 4 25.0 6.1 116 5 0 -1 31.545 63.089 0.292 5.17 2 21.0 2.1 117 2 3 0 31.552 63.105 0.293 5.16 4 10.0 1.0 118 4 1 -5 31.583 63.166 0.293 5.15 4 66.7 42.9 119 2 3 -2 31.591 63.182 0.293 5.15 4 7.6 0.6 120 5 0 -4 31.69 63.379 0.294 5.11 2 13.2 0.8 121 2 0 4 31.703 63.405 0.294 5.11 2 38.6 7.1 122 2 0 -6 31.896 63.791 0.295 5.04 2 68.8 22.3 123 5 1 -2 31.972 63.945 0.296 5.02 4 36.4 12.4 124 5 1 -3 32.02 64.041 0.296 5.0 4 36.6 12.5 125 3 0 3 32.03 64.059 0.296 5.0 2 16.4 1.3 126 3 0 -6 32.289 64.577 0.299 4.91 2 69.0 21.9 127 2 2 3 32.626 65.253 0.301 4.8 4 9.0 0.7 128 2 2 -5 32.779 65.557 0.303 4.75 4 21.2 4.0 129 1 3 2 32.779 65.558 0.303 4.75 4 8.9 0.7 130 1 3 -3 32.827 65.653 0.303 4.74 4 92.0 75.0 131 1 0 5 32.974 65.948 0.304 4.69 2 42.8 8.0 132 1 0 -6 33.078 66.156 0.305 4.66 2 136.4 81.1 133 4 2 0 33.12 66.241 0.305 4.65 4 48.3 20.3 134 5 1 -1 33.123 66.246 0.305 4.65 4 98.5 84.3 135 5 1 -4 33.264 66.529 0.307 4.61 4 31.0 8.3 136 4 2 -4 33.271 66.543 0.307 4.6 4 112.1 108.3 137 2 1 4 33.277 66.554 0.307 4.6 4 36.6 11.5 138 1 2 4 33.28 66.561 0.307 4.6 4 79.4 54.2 139 2 3 1 33.334 66.668 0.307 4.59 4 35.4 10.7 140 1 2 -5 33.365 66.73 0.307 4.58 4 5.2 0.2 141 2 3 -3 33.409 66.818 0.308 4.56 4 12.9 1.4 142 2 1 -6 33.465 66.93 0.308 4.55 4 29.1 7.2 143 3 2 2 33.551 67.101 0.309 4.52 4 68.6 39.8 144 3 1 3 33.596 67.192 0.309 4.51 4 17.3 2.5 145 3 2 -5 33.747 67.495 0.311 4.47 4 12.4 1.3 146 0 3 3 33.798 67.597 0.311 4.45 4 61.6 31.6 147 3 1 -6 33.849 67.697 0.311 4.44 4 12.7 1.3 148 5 0 0 33.888 67.776 0.312 4.43 2 24.3 2.4 149 4 0 2 33.93 67.861 0.312 4.42 2 1.8 0.0 150 5 0 -5 34.121 68.241 0.314 4.37 2 15.2 0.9 151 4 0 -6 34.228 68.457 0.314 4.34 2 151.5 93.1 152 3 3 -1 34.295 68.59 0.315 4.32 4 91.3 67.4 153 3 3 -2 34.323 68.645 0.315 4.31 4 28.2 6.4 154 1 1 5 34.518 69.037 0.317 4.26 4 70.6 39.7 155 1 1 -6 34.62 69.24 0.318 4.24 4 27.7 6.1 156 5 1 0 35.413 70.826 0.324 4.05 4 50.8 19.6 157 3 3 0 35.426 70.852 0.324 4.05 4 19.4 2.8 158 4 1 2 35.455 70.909 0.324 4.04 4 78.4 46.4 159 0 2 5 35.469 70.938 0.324 4.04 4 3.8 0.1 160 3 3 -3 35.508 71.016 0.325 4.03 4 65.4 32.2 161 5 1 -5 35.641 71.283 0.326 4.0 4 19.7 2.9 162 4 1 -6 35.747 71.494 0.327 3.97 4 4.3 0.1 163 0 0 6 35.756 71.511 0.327 3.97 2 43.3 7.0 164 4 2 1 35.993 71.986 0.329 3.92 4 6.9 0.4 165 4 2 -5 36.211 72.421 0.33 3.88 4 47.2 16.1 166 2 3 2 36.217 72.433 0.33 3.87 4 22.2 3.6 167 1 3 3 36.264 72.527 0.331 3.86 4 17.2 2.1 168 2 3 -4 36.325 72.651 0.331 3.85 4 21.5 3.3 169 1 3 -4 36.327 72.654 0.331 3.85 4 12.9 1.2 170 5 2 -2 36.575 73.151 0.333 3.8 4 26.5 5.0 171 5 2 -3 36.62 73.241 0.333 3.79 4 1.6 0.0 172 6 0 -3 37.169 74.339 0.338 3.69 2 48.8 8.2 173 0 1 6 37.248 74.495 0.338 3.67 4 12.4 1.1 174 5 0 1 37.289 74.578 0.339 3.67 2 5.7 0.1 175 5 0 -6 37.602 75.204 0.341 3.61 2 46.7 7.4 176 5 2 -1 37.66 75.32 0.342 3.6 4 39.8 10.6 177 3 3 1 37.671 75.343 0.342 3.6 4 6.2 0.3 178 6 0 -2 37.679 75.357 0.342 3.6 2 8.9 0.3 179 6 0 -4 37.786 75.571 0.343 3.58 2 97.0 31.5 180 5 2 -4 37.794 75.588 0.343 3.58 4 105.9 75.0 181 3 0 4 37.801 75.602 0.343 3.58 2 60.1 12.1 182 3 3 -4 37.805 75.61 0.343 3.58 4 1.9 0.0 183 2 2 4 37.806 75.612 0.343 3.58 4 61.0 24.9 184 0 3 4 37.81 75.621 0.343 3.58 4 23.3 3.6 185 2 2 -6 37.984 75.968 0.344 3.55 4 69.0 31.5 186 2 0 5 38.068 76.136 0.345 3.53 2 0.1 0.0 187 3 0 -7 38.095 76.19 0.345 3.53 2 1.3 0.0 188 3 2 3 38.108 76.216 0.345 3.53 4 30.7 6.2 189 2 0 -7 38.281 76.563 0.346 3.5 2 26.4 2.3 190 3 2 -6 38.348 76.696 0.347 3.49 4 87.7 50.2 191 4 3 -2 38.429 76.857 0.347 3.48 4 6.7 0.3 192 6 1 -3 38.641 77.282 0.349 3.44 4 20.5 2.7 193 5 1 1 38.759 77.518 0.35 3.42 4 33.3 7.1 194 4 3 -1 38.95 77.9 0.351 3.4 4 2.1 0.0 195 1 2 5 38.986 77.972 0.352 3.39 4 16.2 1.7 196 4 0 3 39.017 78.033 0.352 3.39 2 51.2 8.3 197 4 3 -3 39.021 78.041 0.352 3.39 4 5.9 0.2 198 5 1 -6 39.068 78.137 0.352 3.38 4 5.6 0.2 199 1 2 -6 39.083 78.166 0.352 3.38 4 20.3 2.6 200 0 4 0 39.136 78.271 0.353 3.37 2 230.6 167.6 201 6 1 -2 39.144 78.288 0.353 3.37 4 23.6 3.5 202 6 1 -4 39.25 78.499 0.354 3.35 4 31.4 6.2 203 3 1 4 39.265 78.53 0.354 3.35 4 6.3 0.2 204 6 0 -1 39.299 78.598 0.354 3.35 2 5.7 0.1 205 4 0 -7 39.37 78.739 0.355 3.34 2 14.0 0.6 206 6 0 -5 39.51 79.021 0.356 3.32 2 28.5 2.5 207 2 1 5 39.529 79.057 0.356 3.32 4 76.6 36.4 208 3 1 -7 39.556 79.111 0.356 3.31 4 33.7 7.0 209 0 4 1 39.689 79.379 0.357 3.29 4 5.6 0.2 210 2 1 -7 39.74 79.48 0.357 3.29 4 35.0 7.5 211 1 0 6 39.808 79.616 0.358 3.28 2 11.5 0.4 212 5 2 0 39.843 79.685 0.358 3.27 4 57.1 20.0 213 1 4 0 39.861 79.723 0.358 3.27 4 7.4 0.3 214 1 4 -1 39.87 79.74 0.358 3.27 4 8.0 0.4 215 4 2 2 39.883 79.766 0.358 3.27 4 135.7 112.6 216 1 0 -7 39.922 79.844 0.359 3.26 2 28.3 2.4 217 5 2 -5 40.062 80.124 0.36 3.25 4 16.4 1.6 218 2 3 3 40.117 80.233 0.36 3.24 4 33.3 6.7 219 4 2 -6 40.163 80.327 0.361 3.23 4 34.0 7.0 220 2 3 -5 40.257 80.514 0.361 3.22 4 5.7 0.2 221 4 1 3 40.468 80.935 0.363 3.2 4 1.4 0.0 222 4 3 0 40.573 81.146 0.364 3.19 4 3.6 0.1 223 4 3 -4 40.713 81.426 0.365 3.17 4 13.1 1.0 224 1 3 4 40.721 81.442 0.365 3.17 4 41.9 10.4 225 6 1 -1 40.747 81.495 0.365 3.17 4 44.8 11.9 226 1 3 -5 40.8 81.6 0.365 3.16 4 40.0 9.4 227 4 1 -7 40.817 81.635 0.365 3.16 4 31.5 5.9 228 1 4 1 40.954 81.907 0.366 3.14 4 2.1 0.0 229 6 1 -5 40.957 81.914 0.366 3.14 4 15.9 1.5 230 3 3 2 40.972 81.945 0.367 3.14 4 12.3 0.9 231 1 4 -2 40.98 81.96 0.367 3.14 4 34.2 6.9 232 3 3 -5 41.155 82.311 0.368 3.12 4 13.3 1.0 233 1 1 6 41.252 82.505 0.369 3.11 4 5.3 0.2 234 0 4 2 41.34 82.68 0.369 3.1 4 2.2 0.0 235 1 1 -7 41.366 82.731 0.369 3.1 4 3.6 0.1 236 2 4 -1 41.491 82.983 0.37 3.09 4 1.2 0.0 237 0 2 6 41.613 83.227 0.371 3.07 4 67.4 26.1 238 5 0 2 41.678 83.357 0.372 3.07 2 81.3 19.0 239 6 0 0 41.996 83.992 0.374 3.04 2 29.6 2.5 240 2 4 0 42.021 84.042 0.374 3.04 4 27.5 4.3 241 2 4 -2 42.056 84.111 0.374 3.03 4 37.3 7.9 242 5 0 -7 42.07 84.139 0.375 3.03 2 11.5 0.4 243 6 0 -6 42.309 84.618 0.376 3.01 2 10.7 0.3 244 0 3 5 42.774 85.548 0.38 2.97 4 36.3 7.3 245 6 2 -3 42.971 85.942 0.381 2.96 4 43.5 10.4 246 0 0 7 42.978 85.956 0.381 2.96 2 26.2 1.9 247 5 2 1 43.086 86.173 0.382 2.95 4 20.3 2.3 248 5 1 2 43.111 86.222 0.382 2.95 4 28.1 4.3 249 1 4 2 43.131 86.262 0.382 2.94 4 36.0 7.1 250 1 4 -3 43.174 86.348 0.382 2.94 4 6.1 0.2 251 4 3 1 43.272 86.544 0.383 2.93 4 13.5 1.0 252 5 2 -6 43.389 86.779 0.384 2.93 4 45.4 11.3 253 6 1 0 43.427 86.855 0.384 2.92 4 22.5 2.8 254 6 2 -2 43.463 86.927 0.385 2.92 4 80.0 34.9 255 4 3 -5 43.48 86.96 0.385 2.92 4 58.4 18.6 256 5 1 -7 43.5 87.001 0.385 2.92 4 3.0 0.1 257 6 2 -4 43.567 87.134 0.385 2.91 4 72.2 28.4 258 3 2 4 43.582 87.164 0.385 2.91 4 1.3 0.0 259 2 4 1 43.639 87.278 0.386 2.91 4 34.2 6.4 260 2 4 -3 43.708 87.416 0.386 2.9 4 1.1 0.0 261 6 1 -6 43.739 87.478 0.386 2.9 4 16.1 1.4 262 5 3 -2 43.829 87.657 0.387 2.9 4 38.0 7.8 263 2 2 5 43.841 87.682 0.387 2.89 4 45.1 11.0 264 3 2 -7 43.868 87.735 0.387 2.89 4 12.8 0.9 265 5 3 -3 43.872 87.744 0.387 2.89 4 24.8 3.3 266 2 2 -7 44.049 88.097 0.389 2.88 4 17.5 1.6 267 0 4 3 44.067 88.134 0.389 2.88 4 19.9 2.1 268 3 0 5 44.372 88.743 0.391 2.86 2 70.7 13.4 269 0 1 7 44.406 88.812 0.391 2.86 4 57.7 17.8 270 3 4 -1 44.528 89.056 0.392 2.85 4 16.7 1.5 271 3 4 -2 44.554 89.108 0.392 2.85 4 53.4 15.2 272 3 0 -8 44.709 89.417 0.393 2.84 2 88.4 20.8 273 4 2 3 44.766 89.532 0.394 2.84 4 71.1 26.9 274 5 3 -1 44.873 89.745 0.394 2.83 4 96.8 49.6 275 7 0 -3 44.924 89.849 0.395 2.83 2 23.1 1.4 276 7 0 -4 44.985 89.97 0.395 2.83 2 26.1 1.8 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 0 1 5.589 11.178 9.18447 13.0 1.9 1.9 5.6 2 1 0 0 6.403 12.805 8.02109 30.7 4.4 4.5 5.6 3 1 0 -1 6.441 12.883 7.97289 25.5 3.7 3.7 5.6 4 1 0 -2 10.257 20.514 5.02332 200.9 28.9 29.2 5.6 5 1 1 -1 11.163 22.327 4.61999 35.4 5.1 5.1 5.6 6 2 0 0 12.887 25.774 4.01054 88.8 12.8 12.9 5.6 7 2 0 -2 12.966 25.932 3.98645 137.8 19.8 20.0 5.6 8 1 1 1 13.707 27.415 3.7747 30.8 4.4 4.5 5.6 9 1 1 -2 13.763 27.527 3.75959 19.0 2.7 2.7 5.6 10 2 1 -1 14.824 29.647 3.49613 210.4 30.2 30.4 5.6 11 1 0 2 15.234 30.467 3.40415 86.7 12.5 12.5 5.6 12 2 0 1 16.206 32.412 3.20488 61.3 8.8 8.8 5.6 13 0 0 3 16.988 33.975 3.06149 33.5 4.8 4.8 5.7 14 3 0 -1 17.795 35.59 2.92675 10.6 1.5 1.5 5.7 15 3 0 -2 17.84 35.679 2.91969 113.7 16.4 16.4 5.7 16 1 1 -3 17.922 35.844 2.90673 695.6 100.0 100.0 5.7 17 0 2 0 18.396 36.791 2.83435 254.0 36.5 36.5 5.7 18 2 1 1 18.7 37.4 2.78987 60.2 8.7 8.6 5.7 19 2 1 -3 18.813 37.627 2.77365 16.7 2.4 2.4 5.7 20 0 1 3 19.393 38.787 2.69374 203.1 29.2 29.1 5.7 21 1 2 0 19.554 39.109 2.67241 288.2 41.4 41.3 5.7 22 3 1 -1 20.117 40.235 2.60059 270.4 38.9 38.7 5.7 23 3 1 -2 20.158 40.315 2.59563 12.3 1.8 1.8 5.7 24 2 0 2 20.706 41.412 2.52978 101.3 14.6 14.5 5.7 25 1 0 -4 20.865 41.73 2.51138 21.8 3.1 3.1 5.7 26 1 2 -2 21.244 42.489 2.46851 66.1 9.5 9.4 5.7 27 0 2 2 21.768 43.536 2.41194 199.7 28.7 28.5 5.7 28 3 1 -3 21.821 43.643 2.40631 206.1 29.6 29.4 5.7 29 2 2 -1 21.985 43.97 2.38928 23.4 3.4 3.3 5.7 30 2 2 -2 22.781 45.562 2.30999 91.3 13.1 13.0 5.7 31 1 1 3 22.842 45.684 2.30416 32.3 4.6 4.6 5.7 32 1 1 -4 22.927 45.853 2.29613 54.4 7.8 7.7 5.7 33 1 2 -3 24.303 48.606 2.17332 45.0 6.5 6.4 5.7 34 4 0 -1 24.435 48.87 2.16231 108.2 15.5 15.3 5.7 35 4 0 -3 24.527 49.053 2.15473 16.9 2.4 2.4 5.7 36 0 1 4 24.853 49.707 2.12816 15.7 2.3 2.2 5.7 37 2 2 1 24.916 49.832 2.12316 131.0 18.8 18.6 5.7 38 2 2 -3 25.006 50.012 2.11598 121.5 17.5 17.2 5.7 39 0 2 3 25.471 50.943 2.07986 97.3 14.0 13.8 5.8 40 2 0 3 25.922 51.845 2.0461 43.6 6.3 6.2 5.8 41 3 2 -1 26.06 52.119 2.03607 14.3 2.1 2.0 5.8 42 4 0 0 26.491 52.982 2.00527 38.9 5.6 5.5 5.8 43 1 0 -5 26.771 53.541 1.98583 14.0 2.0 2.0 5.8 44 3 0 -5 27.206 54.412 1.95642 8.2 1.2 1.2 5.8 45 2 1 3 27.695 55.389 1.92457 25.6 3.7 3.6 5.8 46 2 2 2 28.289 56.579 1.88735 67.1 9.7 9.4 5.8 47 2 2 -4 28.413 56.827 1.87979 154.5 22.2 21.7 5.8 48 1 1 -5 28.507 57.013 1.87416 28.2 4.0 4.0 5.8 49 3 1 2 28.71 57.419 1.86202 15.1 2.2 2.1 5.8 50 1 3 0 29.099 58.199 1.83922 14.3 2.1 2.0 5.8 51 0 0 5 29.14 58.28 1.83689 7.9 1.1 1.1 5.8 52 0 2 4 30.089 60.177 1.78414 17.7 2.5 2.5 5.8 53 5 0 -2 30.361 60.723 1.76962 39.5 5.7 5.5 5.8 54 5 0 -3 30.411 60.822 1.76701 7.5 1.1 1.0 5.8 55 0 1 5 30.788 61.577 1.74744 30.0 4.3 4.2 5.8 56 2 3 -1 30.959 61.918 1.73875 27.1 3.9 3.8 5.8 57 4 1 -5 31.583 63.166 1.70784 43.4 6.2 6.0 5.9 58 2 0 4 31.703 63.405 1.70207 7.1 1.0 1.0 5.9 59 2 0 -6 31.896 63.791 1.69286 22.3 3.2 3.1 5.9 60 5 1 -2 31.972 63.945 1.68922 12.4 1.8 1.7 5.9 61 5 1 -3 32.02 64.041 1.68696 13.8 2.0 1.9 5.9 62 3 0 -6 32.289 64.577 1.67444 21.9 3.1 3.0 5.9 63 1 3 -3 32.827 65.653 1.64999 75.0 10.8 10.4 5.9 64 1 0 5 32.974 65.948 1.64345 8.0 1.2 1.1 5.9 65 1 0 -6 33.078 66.156 1.63887 81.1 11.7 11.2 5.9 66 5 1 -1 33.123 66.246 1.63689 104.6 15.0 14.5 5.9 67 1 2 4 33.28 66.561 1.63004 182.3 26.2 25.2 5.9 68 2 3 1 33.334 66.668 1.62772 10.7 1.5 1.5 5.9 69 2 1 -6 33.465 66.93 1.62207 7.2 1.0 1.0 5.9 70 3 2 2 33.551 67.101 1.61843 39.8 5.7 5.5 5.9 71 0 3 3 33.798 67.597 1.60796 31.6 4.5 4.4 5.9 72 4 0 -6 34.228 68.457 1.59017 93.1 13.4 12.8 5.9 73 3 3 -1 34.295 68.59 1.58747 73.8 10.6 10.2 5.9 74 1 1 5 34.518 69.037 1.57845 39.7 5.7 5.5 5.9 75 5 1 0 35.413 70.826 1.5436 22.4 3.2 3.1 5.9 76 4 1 2 35.455 70.909 1.54201 46.5 6.7 6.4 5.9 77 3 3 -3 35.508 71.016 1.54 32.2 4.6 4.4 5.9 78 0 0 6 35.756 71.511 1.53074 7.0 1.0 1.0 5.9 79 4 2 -5 36.211 72.421 1.51409 19.7 2.8 2.7 5.9 80 6 0 -3 37.169 74.339 1.48047 8.2 1.2 1.1 6.0 81 5 0 -6 37.602 75.204 1.46591 7.4 1.1 1.0 6.0 82 5 2 -1 37.66 75.32 1.46399 11.2 1.6 1.5 6.0 83 5 2 -4 37.794 75.588 1.45958 147.1 21.1 20.0 6.0 84 2 2 -6 37.984 75.968 1.45336 31.5 4.5 4.3 6.0 85 3 2 -6 38.348 76.696 1.44166 50.2 7.2 6.8 6.0 86 5 1 1 38.759 77.518 1.42875 7.1 1.0 1.0 6.0 87 4 0 3 39.017 78.033 1.4208 8.5 1.2 1.2 6.0 88 0 4 0 39.136 78.271 1.41718 171.1 24.6 23.1 6.0 89 2 1 5 39.529 79.057 1.40536 46.0 6.6 6.2 6.0 90 2 1 -7 39.74 79.48 1.39912 7.5 1.1 1.0 6.0 91 5 2 0 39.843 79.685 1.39611 20.7 3.0 2.8 6.0 92 4 2 2 39.883 79.766 1.39494 112.6 16.2 15.2 6.0 93 4 2 -6 40.163 80.327 1.38682 7.0 1.0 0.9 6.0 94 6 1 -1 40.747 81.495 1.37035 23.3 3.4 3.1 6.1 95 1 3 -5 40.8 81.6 1.36889 15.3 2.2 2.1 6.1 96 1 4 -2 40.98 81.96 1.36394 9.2 1.3 1.2 6.1 97 0 2 6 41.613 83.227 1.34687 26.1 3.8 3.5 6.1 98 5 0 2 41.678 83.357 1.34516 19.0 2.7 2.5 6.1 99 2 4 -2 42.056 84.111 1.33531 8.3 1.2 1.1 6.1 100 0 3 5 42.774 85.548 1.31711 7.3 1.1 1.0 6.1 101 6 2 -3 42.971 85.942 1.31225 12.3 1.8 1.6 6.1 102 1 4 2 43.131 86.262 1.30833 13.7 2.0 1.8 6.1 103 5 2 -6 43.389 86.779 1.30207 11.3 1.6 1.5 6.1 104 6 2 -2 43.463 86.927 1.30029 53.6 7.7 7.1 6.1 105 6 2 -4 43.567 87.134 1.29782 28.4 4.1 3.8 6.2 106 2 2 5 43.841 87.682 1.29134 22.2 3.2 2.9 6.2 107 3 0 5 44.372 88.743 1.27906 13.4 1.9 1.8 6.2 108 0 1 7 44.406 88.812 1.27827 17.8 2.6 2.3 6.2 109 3 4 -2 44.554 89.108 1.27493 16.7 2.4 2.2 6.2 110 3 0 -8 44.709 89.417 1.27144 20.8 3.0 2.7 6.2 111 4 2 3 44.766 89.532 1.27015 26.9 3.9 3.5 6.2 112 5 3 -1 44.873 89.745 1.26778 49.6 7.1 6.5 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) |