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 *** *********************** ANORTHITE 6, f-feldspar, sf-plagioclase, DF CaAl(2)Si(2)O(8) Monoclinic P 2(1) Z = 2 R =0.12 18 .2 .1993 Ref.Str.: Takeuchi Y., Haga N., Ito J. (1973) * Z. Kristallogr., Bd. 137, 380-398 Reserv: D.T.N. Initial data from BDM-file Lattice parameters (cub. angs.,degr.): a = 8.228 alpha = 90.0 b = 8.621 beta = 90.0 c = 4.827 gamma = 90.0 Unit cell volume (cub. angs.) = 342.4 Molar volume ( cub.cm/mol.) = 103.12 Co-ordinates, thermal parameters, occupation for atomic positions: NoP x/a y/b z/c B(j) atom / occupation 1 0.747 0.4738 0.8642 0.48 Ca = 0.4 , Ca = 0.0 2 0.2498 0.0 0.344 1.42 Ca = 0.56, Ca = 0.0 3 0.9503 0.1498 0.8945 0.25 Si = 1.00 4 0.065 0.336 0.3976 0.7 Al = 1.00 5 0.4454 0.3276 0.3952 0.45 Si = 1.00 6 0.5676 0.1373 0.8941 0.62 Al = 1.00 7 0.0609 0.1819 0.1737 1.05 O = 1.00 8 0.038 0.0021 0.7381 0.88 O = 1.00 9 0.7614 0.1378 0.0021 1.47 O = 1.00 10 0.954 0.2974 0.6863 0.5 O = 1.00 11 0.5619 0.293 0.6604 0.6 O = 1.00 12 0.5254 0.4807 0.2486 1.3 O = 1.00 13 0.2664 0.3714 0.4789 0.81 O = 1.00 14 0.4408 0.1762 0.1895 1.11 O = 1.00 Co-ordinates for all atomic positions : No NoP x/a y/b z/c 1 1 0.747 0.4738 0.8642 2 2 0.2498 0.0 0.344 3 3 0.9503 0.1498 0.8945 4 4 0.065 0.336 0.3976 5 5 0.4454 0.3276 0.3952 6 6 0.5676 0.1373 0.8941 7 7 0.0609 0.1819 0.1737 8 8 0.038 0.0021 0.7381 9 9 0.7614 0.1378 0.0021 10 10 0.954 0.2974 0.6863 11 11 0.5619 0.293 0.6604 12 12 0.5254 0.4807 0.2486 13 13 0.2664 0.3714 0.4789 14 14 0.4408 0.1762 0.1895 15 1 0.253 0.9738 0.1358 16 2 0.7502 0.5 0.656 17 3 0.0497 0.6498 0.1055 18 4 0.935 0.836 0.6024 19 5 0.5546 0.8276 0.6048 20 6 0.4324 0.6373 0.1059 21 7 0.9391 0.6819 0.8263 22 8 0.962 0.5021 0.2619 23 9 0.2386 0.6378 0.9979 24 10 0.046 0.7974 0.3137 25 11 0.4381 0.793 0.3396 26 12 0.4746 0.9807 0.7514 27 13 0.7336 0.8714 0.5211 28 14 0.5592 0.6762 0.8105 X-ray density (g/cm cub.) = 2.68 MU (1/cm) = 133.589 Mass attenuation coefficient (cm**2/g) = 49.758 Selected interatomic distances (cation-anion,anion-anion): NoP Atom Rad.sph. C.N. Distance NoP N. (angs.) (angs.) 1 Ca ,Ca 2.88 6 2.4395 10 2.391 11 2.6021 12 2.398 7 2.6219 8 2.3451 14 2 Ca ,Ca 2.88 6 2.356 7 2.5799 8 2.3094 14 2.4257 10 2.3634 11 2.7048 12 3 Si 2.1 4 1.6495 7 1.6468 8 1.642 9 1.6217 10 4 Al 2.316 4 1.7129 7 1.6991 10 1.7301 13 1.7882 8 5 Si 2.1 4 1.6268 11 1.6359 12 1.5732 13 1.6404 14 6 Al 2.316 4 1.6776 9 1.754 11 1.7984 14 1.6978 12 7 O 3.264 8 3.1401 8 2.619 8 2.6274 9 2.8084 10 2.7019 10 2.7746 13 3.1271 14 2.9092 8 8 O 3.264 7 2.619 7 3.1401 7 2.8587 9 2.6498 10 2.9092 7 2.7047 10 2.9394 13 9 O 3.264 6 2.6274 7 2.8587 8 2.5939 10 2.6842 11 2.8083 14 2.9778 12 10 O 3.264 7 2.7019 7 2.8084 7 2.6498 8 2.5939 9 3.2288 11 2.8313 13 2.7047 8 11 O 3.264 7 2.6842 9 3.2288 10 2.5807 12 2.6713 13 2.9205 14 2.6783 14 2.8209 12 12 O 3.264 7 2.5807 11 2.5817 13 2.7308 14 2.9778 9 2.8209 11 3.2054 14 2.7184 14 13 O 3.264 6 2.7746 7 2.8313 10 2.6713 11 2.5817 12 2.6158 14 2.9394 8 14 O 3.264 8 3.1271 7 2.8083 9 2.6783 11 2.9205 11 2.7308 12 2.6158 13 3.2054 12 2.7184 12 X-ray diffraction powder data (II), X-Ray W.L. = 1.54056(angs.): No H K L Theta 2*Theta S LPG MF F I int. ( degree ) *100 1 1 0 0 5.372 10.743 0.061 225.23 2 0.1 0.0 2 1 1 0 7.436 14.871 0.084 116.47 4 8.6 29.6 3 0 0 1 9.182 18.365 0.104 75.61 2 4.2 2.3 4 0 2 0 10.294 20.588 0.116 59.72 2 19.3 37.8 5 0 1 1 10.538 21.076 0.119 56.89 4 16.0 49.7 6 1 0 -1 10.662 21.324 0.12 55.53 2 67.0 425.1 7 1 0 1 10.662 21.324 0.12 55.53 2 51.8 254.0 8 2 0 0 10.791 21.583 0.122 54.15 2 73.6 499.9 9 1 2 0 11.638 23.277 0.131 46.26 4 7.1 8.0 10 1 1 -1 11.856 23.712 0.133 44.5 4 27.2 112.4 11 1 1 1 11.856 23.712 0.133 44.5 4 40.9 254.1 12 2 1 0 11.974 23.947 0.135 43.59 4 3.2 1.5 13 0 2 1 13.862 27.723 0.156 32.01 4 96.7 1021.5 14 2 0 -1 14.242 28.483 0.16 30.22 2 5.6 1.6 15 2 0 1 14.242 28.483 0.16 30.22 2 4.2 0.9 16 1 2 -1 14.905 29.81 0.167 27.42 4 7.9 5.9 17 1 2 1 14.905 29.81 0.167 27.42 4 8.9 7.4 18 2 2 0 15.0 30.001 0.168 27.04 4 54.7 275.8 19 2 1 -1 15.173 30.346 0.17 26.39 4 52.4 246.8 20 2 1 1 15.173 30.346 0.17 26.39 4 52.7 250.0 21 3 0 0 16.311 32.622 0.182 22.58 2 5.5 1.2 22 1 3 0 16.495 32.989 0.184 22.04 4 62.8 296.2 23 3 1 0 17.141 34.282 0.191 20.27 4 25.2 44.0 24 2 2 -1 17.702 35.404 0.197 18.9 4 29.1 54.5 25 2 2 1 17.702 35.404 0.197 18.9 4 36.2 84.3 26 0 3 1 18.177 36.354 0.202 17.83 4 11.0 7.3 27 0 0 2 18.612 37.224 0.207 16.93 2 14.8 6.3 28 3 0 -1 18.846 37.691 0.21 16.47 2 41.3 48.0 29 3 0 1 18.846 37.691 0.21 16.47 2 37.3 39.1 30 1 3 -1 19.008 38.016 0.211 16.16 4 21.8 26.3 31 1 3 1 19.008 38.016 0.211 16.16 4 24.5 33.0 32 2 3 0 19.085 38.169 0.212 16.02 4 3.4 0.6 33 0 1 2 19.355 38.711 0.215 15.52 4 32.1 54.5 34 1 0 -2 19.427 38.854 0.216 15.4 2 6.6 1.1 35 1 0 2 19.427 38.854 0.216 15.4 2 4.6 0.6 36 3 2 0 19.444 38.888 0.216 15.37 4 4.0 0.8 37 3 1 -1 19.582 39.163 0.218 15.13 4 3.6 0.7 38 3 1 1 19.582 39.163 0.218 15.13 4 21.3 23.4 39 1 1 -2 20.145 40.29 0.224 14.21 4 32.4 50.9 40 1 1 2 20.145 40.29 0.224 14.21 4 29.3 41.7 41 0 4 0 20.94 41.881 0.232 13.03 2 21.1 9.9 42 2 3 -1 21.335 42.671 0.236 12.49 4 28.1 33.7 43 2 3 1 21.335 42.671 0.236 12.49 4 31.0 40.9 44 0 2 2 21.455 42.911 0.237 12.34 4 17.2 12.4 45 3 2 -1 21.663 43.327 0.24 12.07 4 71.0 207.9 46 3 2 1 21.663 43.327 0.24 12.07 4 62.6 161.2 47 1 4 0 21.682 43.364 0.24 12.05 4 3.2 0.4 48 2 0 -2 21.717 43.434 0.24 12.01 2 31.9 20.8 49 2 0 2 21.717 43.434 0.24 12.01 2 34.3 24.1 50 4 0 0 21.991 43.983 0.243 11.67 2 66.1 87.0 51 1 2 -2 22.183 44.366 0.245 11.45 4 30.2 35.5 52 1 2 2 22.183 44.366 0.245 11.45 4 25.8 26.0 53 2 1 -2 22.374 44.749 0.247 11.23 4 16.5 10.4 54 2 1 2 22.374 44.749 0.247 11.23 4 17.9 12.3 55 4 1 0 22.642 45.285 0.25 10.93 4 4.4 0.7 56 3 3 0 22.845 45.689 0.252 10.71 4 5.8 1.2 57 0 4 1 23.042 46.084 0.254 10.51 4 61.8 136.7 58 1 4 -1 23.731 47.462 0.261 9.83 4 6.1 1.3 59 1 4 1 23.731 47.462 0.261 9.83 4 2.6 0.2 60 2 4 0 23.795 47.591 0.262 9.77 4 24.9 20.7 61 4 0 -1 24.02 48.04 0.264 9.56 2 2.9 0.1 62 4 0 1 24.02 48.04 0.264 9.56 2 0.5 0.0 63 2 2 -2 24.262 48.524 0.267 9.35 4 5.3 0.9 64 2 2 2 24.262 48.524 0.267 9.35 4 4.1 0.5 65 4 2 0 24.514 49.029 0.269 9.13 4 26.3 21.5 66 4 1 -1 24.629 49.258 0.271 9.03 4 0.9 0.0 67 4 1 1 24.629 49.258 0.271 9.03 4 11.7 4.2 68 0 3 2 24.632 49.263 0.271 9.03 4 31.9 31.3 69 3 3 -1 24.819 49.638 0.272 8.88 4 4.5 0.6 70 3 3 1 24.819 49.638 0.272 8.88 4 4.9 0.7 71 3 0 -2 25.159 50.318 0.276 8.61 2 5.1 0.4 72 3 0 2 25.159 50.318 0.276 8.61 2 4.0 0.2 73 1 3 -2 25.288 50.576 0.277 8.51 4 11.1 3.6 74 1 3 2 25.288 50.576 0.277 8.51 4 20.0 11.6 75 2 4 -1 25.714 51.428 0.282 8.19 4 34.2 32.6 76 2 4 1 25.714 51.428 0.282 8.19 4 27.1 20.5 77 3 1 -2 25.748 51.497 0.282 8.16 4 4.9 0.7 78 3 1 2 25.748 51.497 0.282 8.16 4 9.5 2.5 79 4 2 -1 26.395 52.789 0.289 7.71 4 15.0 5.9 80 4 2 1 26.395 52.789 0.289 7.71 4 20.1 10.7 81 3 4 0 27.036 54.071 0.295 7.3 4 3.7 0.3 82 1 5 0 27.158 54.317 0.296 7.23 4 36.2 32.4 83 2 3 -2 27.188 54.376 0.297 7.21 4 10.9 2.9 84 2 3 2 27.188 54.376 0.297 7.21 4 12.9 4.1 85 4 3 0 27.42 54.841 0.299 7.07 4 9.7 2.3 86 3 2 -2 27.462 54.924 0.299 7.05 4 64.9 101.2 87 3 2 2 27.462 54.924 0.299 7.05 4 67.7 110.2 88 5 0 0 27.91 55.82 0.304 6.79 2 2.7 0.1 89 0 5 1 28.32 56.639 0.308 6.57 4 21.2 10.1 90 5 1 0 28.459 56.919 0.309 6.5 4 2.2 0.1 91 0 0 3 28.603 57.205 0.311 6.43 2 5.0 0.3 92 0 4 2 28.63 57.261 0.311 6.41 4 45.0 44.4 93 3 4 -1 28.799 57.598 0.313 6.33 4 43.0 39.9 94 3 4 1 28.799 57.598 0.313 6.33 4 44.6 43.0 95 1 5 -1 28.917 57.834 0.314 6.27 4 23.8 12.1 96 1 5 1 28.917 57.834 0.314 6.27 4 21.5 9.9 97 2 5 0 28.973 57.946 0.314 6.24 4 3.0 0.2 98 0 1 3 29.144 58.287 0.316 6.16 4 14.5 4.4 99 4 3 -1 29.169 58.337 0.316 6.15 4 10.2 2.2 100 4 3 1 29.169 58.337 0.316 6.15 4 4.0 0.3 101 1 0 -3 29.196 58.392 0.317 6.14 2 31.7 10.6 102 1 0 3 29.196 58.392 0.317 6.14 2 30.6 9.8 103 1 4 -2 29.224 58.447 0.317 6.12 4 36.9 28.5 104 1 4 2 29.224 58.447 0.317 6.12 4 19.8 8.2 105 4 0 -2 29.474 58.947 0.319 6.01 2 1.6 0.0 106 4 0 2 29.474 58.947 0.319 6.01 2 8.9 0.8 107 5 0 -1 29.639 59.279 0.321 5.93 2 77.4 60.6 108 5 0 1 29.639 59.279 0.321 5.93 2 52.3 27.6 109 1 1 -3 29.73 59.46 0.322 5.89 4 13.3 3.5 110 1 1 3 29.73 59.46 0.322 5.89 4 9.0 1.6 111 4 1 -2 30.005 60.009 0.325 5.77 4 9.3 1.7 112 4 1 2 30.005 60.009 0.325 5.77 4 3.7 0.3 113 5 2 0 30.069 60.137 0.325 5.74 4 17.5 6.0 114 5 1 -1 30.169 60.337 0.326 5.7 4 26.8 13.9 115 5 1 1 30.169 60.337 0.326 5.7 4 46.1 41.4 116 3 3 -2 30.171 60.342 0.326 5.7 4 4.7 0.4 117 3 3 2 30.171 60.342 0.326 5.7 4 24.9 12.1 118 2 5 -1 30.664 61.328 0.331 5.5 4 11.9 2.7 119 2 5 1 30.664 61.328 0.331 5.5 4 16.7 5.2 120 0 2 3 30.73 61.46 0.332 5.47 4 23.7 10.5 121 2 0 -3 30.934 61.867 0.334 5.39 2 3.2 0.1 122 2 0 3 30.934 61.867 0.334 5.39 2 1.0 0.0 123 2 4 -2 30.96 61.92 0.334 5.38 4 6.5 0.8 124 2 4 2 30.96 61.92 0.334 5.38 4 10.9 2.2 125 4 4 0 31.175 62.349 0.336 5.3 4 14.1 3.6 126 1 2 -3 31.299 62.598 0.337 5.25 4 8.9 1.4 127 1 2 3 31.299 62.598 0.337 5.25 4 4.4 0.3 128 2 1 -3 31.45 62.9 0.339 5.2 4 15.9 4.5 129 2 1 3 31.45 62.9 0.339 5.2 4 18.8 6.3 130 4 2 -2 31.565 63.13 0.34 5.16 4 18.8 6.2 131 4 2 2 31.565 63.13 0.34 5.16 4 9.0 1.4 132 5 2 -1 31.724 63.449 0.341 5.1 4 27.5 13.2 133 5 2 1 31.724 63.449 0.341 5.1 4 23.1 9.3 134 3 5 0 31.85 63.699 0.343 5.06 4 4.5 0.3 135 0 6 0 32.418 64.836 0.348 4.87 2 98.6 80.7 136 5 3 0 32.643 65.286 0.35 4.8 4 68.3 76.4 137 4 4 -1 32.798 65.597 0.352 4.75 4 17.3 4.8 138 4 4 1 32.798 65.597 0.352 4.75 4 4.4 0.3 139 1 6 0 32.971 65.941 0.353 4.69 4 13.4 2.9 140 2 2 -3 32.971 65.943 0.353 4.69 4 40.6 26.4 141 2 2 3 32.971 65.943 0.353 4.69 4 41.8 28.0 142 0 3 3 33.276 66.551 0.356 4.6 4 75.5 89.6 143 0 5 2 33.301 66.602 0.356 4.6 4 43.4 29.6 144 3 5 -1 33.456 66.912 0.358 4.55 4 30.6 14.5 145 3 5 1 33.456 66.912 0.358 4.55 4 35.6 19.7 146 3 0 -3 33.713 67.426 0.36 4.48 2 36.5 10.2 147 3 0 3 33.713 67.426 0.36 4.48 2 45.0 15.5 148 3 4 -2 33.738 67.477 0.361 4.47 4 51.8 40.9 149 3 4 2 33.738 67.477 0.361 4.47 4 39.0 23.2 150 1 3 -3 33.821 67.641 0.361 4.45 4 3.7 0.2 151 1 3 3 33.821 67.641 0.361 4.45 4 10.3 1.6 152 1 5 -2 33.846 67.692 0.362 4.44 4 1.5 0.0 153 1 5 2 33.846 67.692 0.362 4.44 4 13.6 2.8 154 0 6 1 34.01 68.021 0.363 4.4 4 23.3 8.2 155 4 3 -2 34.077 68.153 0.364 4.38 4 7.9 0.9 156 4 3 2 34.077 68.153 0.364 4.38 4 4.7 0.3 157 6 0 0 34.174 68.347 0.365 4.35 2 69.8 36.2 158 3 1 -3 34.207 68.413 0.365 4.34 4 7.2 0.8 159 3 1 3 34.207 68.413 0.365 4.34 4 4.8 0.3 160 5 3 -1 34.23 68.459 0.365 4.34 4 19.4 5.5 161 5 3 1 34.23 68.459 0.365 4.34 4 23.5 8.1 162 5 0 -2 34.509 69.018 0.368 4.27 2 3.2 0.1 163 5 0 2 34.509 69.018 0.368 4.27 2 2.9 0.1 164 1 6 -1 34.55 69.1 0.368 4.26 4 31.0 13.9 165 1 6 1 34.55 69.1 0.368 4.26 4 20.4 6.1 166 2 6 0 34.601 69.201 0.369 4.24 4 39.7 22.8 167 6 1 0 34.664 69.328 0.369 4.23 4 15.2 3.3 168 5 1 -2 34.997 69.995 0.372 4.15 4 24.8 8.7 169 5 1 2 34.997 69.995 0.372 4.15 4 41.4 24.2 170 2 3 -3 35.432 70.864 0.376 4.04 4 39.6 21.6 171 2 3 3 35.432 70.864 0.376 4.04 4 46.2 29.4 172 2 5 -2 35.457 70.913 0.377 4.04 4 43.5 26.1 173 2 5 2 35.457 70.913 0.377 4.04 4 39.2 21.2 174 4 5 0 35.657 71.314 0.378 3.99 4 2.5 0.1 175 3 2 -3 35.668 71.336 0.378 3.99 4 12.7 2.2 176 3 2 3 35.668 71.336 0.378 3.99 4 16.8 3.8 177 6 0 -1 35.727 71.455 0.379 3.98 2 1.5 0.0 178 6 0 1 35.727 71.455 0.379 3.98 2 0.4 0.0 179 5 4 0 36.081 72.162 0.382 3.9 4 3.8 0.2 180 6 2 0 36.117 72.235 0.383 3.89 4 8.2 0.9 181 2 6 -1 36.146 72.292 0.383 3.89 4 13.4 2.4 182 2 6 1 36.146 72.292 0.383 3.89 4 6.0 0.5 183 6 1 -1 36.209 72.417 0.383 3.88 4 2.3 0.1 184 6 1 1 36.209 72.417 0.383 3.88 4 18.9 4.7 185 5 2 -2 36.445 72.89 0.386 3.83 4 62.7 51.4 186 5 2 2 36.445 72.89 0.386 3.83 4 48.4 30.6 187 0 4 3 36.686 73.371 0.388 3.78 4 40.2 20.9 188 4 5 -1 37.184 74.368 0.392 3.69 4 14.5 2.6 189 4 5 1 37.184 74.368 0.392 3.69 4 0.2 0.0 190 1 4 -3 37.208 74.417 0.393 3.68 4 8.4 0.9 191 1 4 3 37.208 74.417 0.393 3.68 4 5.9 0.4 192 3 6 0 37.244 74.487 0.393 3.67 4 5.9 0.4 193 4 0 -3 37.43 74.86 0.395 3.64 2 6.2 0.2 194 4 0 3 37.43 74.86 0.395 3.64 2 3.1 0.1 195 4 4 -2 37.454 74.908 0.395 3.64 4 15.7 3.1 196 4 4 2 37.454 74.908 0.395 3.64 4 27.4 9.3 197 5 4 -1 37.601 75.203 0.396 3.61 4 27.9 9.6 198 5 4 1 37.601 75.203 0.396 3.61 4 5.2 0.3 199 6 2 -1 37.637 75.275 0.396 3.61 4 30.3 11.3 200 6 2 1 37.637 75.275 0.396 3.61 4 36.8 16.7 201 4 1 -3 37.903 75.806 0.399 3.56 4 6.3 0.5 202 4 1 3 37.903 75.806 0.399 3.56 4 11.9 1.7 203 3 3 -3 38.051 76.103 0.4 3.54 4 14.0 2.4 204 3 3 3 38.051 76.103 0.4 3.54 4 15.8 3.0 205 3 5 -2 38.076 76.151 0.4 3.53 4 14.4 2.5 206 3 5 2 38.076 76.151 0.4 3.53 4 23.2 6.5 207 6 3 0 38.49 76.98 0.404 3.47 4 1.8 0.0 208 0 6 2 38.602 77.204 0.405 3.45 4 6.3 0.5 209 3 6 -1 38.748 77.495 0.406 3.43 4 25.3 7.5 210 3 6 1 38.748 77.495 0.406 3.43 4 12.9 2.0 211 2 4 -3 38.761 77.523 0.406 3.42 4 19.8 4.6 212 2 4 3 38.761 77.523 0.406 3.42 4 26.7 8.3 213 5 3 -2 38.811 77.621 0.407 3.42 4 6.1 0.4 214 5 3 2 38.811 77.621 0.407 3.42 4 29.2 10.0 215 1 6 -2 39.116 78.232 0.41 3.37 4 12.4 1.8 216 1 6 2 39.116 78.232 0.41 3.37 4 9.7 1.1 217 1 7 0 39.228 78.457 0.411 3.36 4 11.9 1.6 218 4 2 -3 39.31 78.62 0.411 3.35 4 11.2 1.4 219 4 2 3 39.31 78.62 0.411 3.35 4 4.3 0.2 220 0 0 4 39.666 79.332 0.414 3.3 2 45.0 11.4 221 6 3 -1 39.979 79.959 0.417 3.26 4 36.5 14.8 222 6 3 1 39.979 79.959 0.417 3.26 4 13.9 2.2 223 0 1 4 40.131 80.261 0.418 3.24 4 39.8 17.5 224 1 0 -4 40.176 80.352 0.419 3.23 2 1.3 0.0 225 1 0 4 40.176 80.352 0.419 3.23 2 0.9 0.0 226 0 7 1 40.202 80.404 0.419 3.23 4 33.5 12.4 227 6 0 -2 40.244 80.487 0.419 3.22 2 2.5 0.0 228 6 0 2 40.244 80.487 0.419 3.22 2 19.7 2.1 229 5 5 0 40.32 80.64 0.42 3.22 4 34.5 13.1 230 1 1 -4 40.639 81.279 0.423 3.18 4 7.7 0.6 231 1 1 4 40.639 81.279 0.423 3.18 4 9.6 1.0 232 2 6 -2 40.647 81.294 0.423 3.18 4 1.2 0.0 233 2 6 2 40.647 81.294 0.423 3.18 4 5.7 0.3 234 6 1 -2 40.707 81.414 0.423 3.17 4 21.3 4.9 235 6 1 2 40.707 81.414 0.423 3.17 4 13.9 2.1 236 1 7 -1 40.71 81.421 0.423 3.17 4 6.2 0.4 237 1 7 1 40.71 81.421 0.423 3.17 4 19.7 4.2 238 2 7 0 40.758 81.517 0.424 3.16 4 3.8 0.2 239 4 6 0 40.839 81.677 0.424 3.16 4 28.4 8.7 240 0 5 3 40.905 81.809 0.425 3.15 4 2.9 0.1 241 7 0 0 40.944 81.888 0.425 3.14 2 4.1 0.1 242 3 4 -3 41.311 82.622 0.429 3.11 4 25.3 6.8 243 3 4 3 41.311 82.622 0.429 3.11 4 31.7 10.6 244 7 1 0 41.405 82.811 0.429 3.1 4 11.5 1.4 245 1 5 -3 41.411 82.823 0.429 3.1 4 3.3 0.1 246 1 5 3 41.411 82.823 0.429 3.1 4 11.7 1.4 247 0 2 4 41.518 83.035 0.43 3.08 4 15.9 2.7 248 4 3 -3 41.627 83.253 0.431 3.07 4 20.6 4.4 249 4 3 3 41.627 83.253 0.431 3.07 4 14.5 2.2 250 4 5 -2 41.65 83.3 0.431 3.07 4 5.2 0.3 251 4 5 2 41.65 83.3 0.431 3.07 4 8.2 0.7 252 2 0 -4 41.698 83.396 0.432 3.07 2 24.0 3.0 253 2 0 4 41.698 83.396 0.432 3.07 2 22.2 2.6 254 6 4 0 41.741 83.482 0.432 3.06 4 16.0 2.7 255 5 5 -1 41.793 83.587 0.433 3.06 4 32.0 10.7 256 5 5 1 41.793 83.587 0.433 3.06 4 41.4 17.9 257 1 2 -4 42.023 84.046 0.435 3.04 4 5.3 0.3 258 1 2 4 42.023 84.046 0.435 3.04 4 11.5 1.4 259 5 0 -3 42.032 84.064 0.435 3.04 2 57.6 17.2 260 5 0 3 42.032 84.064 0.435 3.04 2 50.0 13.0 261 5 4 -2 42.055 84.111 0.435 3.03 4 54.6 30.8 262 5 4 2 42.055 84.111 0.435 3.03 4 46.3 22.2 263 6 2 -2 42.09 84.18 0.435 3.03 4 7.6 0.6 264 6 2 2 42.09 84.18 0.435 3.03 4 6.4 0.4 265 2 1 -4 42.158 84.316 0.436 3.02 4 23.9 5.9 266 2 1 4 42.158 84.316 0.436 3.02 4 31.2 10.1 267 2 7 -1 42.228 84.457 0.436 3.02 4 43.7 19.7 268 2 7 1 42.228 84.457 0.436 3.02 4 40.8 17.1 269 4 6 -1 42.308 84.617 0.437 3.01 4 8.5 0.8 270 4 6 1 42.308 84.617 0.437 3.01 4 14.0 2.0 271 7 0 -1 42.413 84.826 0.438 3.0 2 1.9 0.0 272 7 0 1 42.413 84.826 0.438 3.0 2 6.5 0.2 273 5 1 -3 42.491 84.983 0.438 2.99 4 7.3 0.5 274 5 1 3 42.491 84.983 0.438 2.99 4 13.2 1.8 275 7 2 0 42.785 85.57 0.441 2.97 4 2.6 0.1 276 7 1 -1 42.872 85.744 0.442 2.96 4 4.6 0.2 277 7 1 1 42.872 85.744 0.442 2.96 4 10.0 1.0 278 2 5 -3 42.925 85.851 0.442 2.96 4 10.9 1.2 279 2 5 3 42.925 85.851 0.442 2.96 4 7.6 0.6 280 3 6 -2 43.173 86.346 0.444 2.94 4 2.6 0.1 281 3 6 2 43.173 86.346 0.444 2.94 4 1.9 0.0 282 6 4 -1 43.206 86.412 0.444 2.94 4 17.0 2.9 283 6 4 1 43.206 86.412 0.444 2.94 4 30.3 9.2 284 3 7 0 43.283 86.567 0.445 2.93 4 47.6 22.7 285 2 2 -4 43.534 87.068 0.447 2.92 4 34.2 11.6 286 2 2 4 43.534 87.068 0.447 2.92 4 36.2 13.1 287 0 3 4 43.813 87.626 0.449 2.9 4 2.6 0.1 288 5 2 -3 43.866 87.733 0.45 2.89 4 6.0 0.4 289 5 2 3 43.866 87.733 0.45 2.89 4 1.6 0.0 290 3 0 -4 44.216 88.432 0.453 2.87 2 4.9 0.1 291 3 0 4 44.216 88.432 0.453 2.87 2 2.0 0.0 292 7 2 -1 44.246 88.492 0.453 2.87 4 29.8 8.7 293 7 2 1 44.246 88.492 0.453 2.87 4 35.6 12.4 294 1 3 -4 44.315 88.631 0.453 2.87 4 16.6 2.7 295 1 3 4 44.315 88.631 0.453 2.87 4 18.6 3.4 296 6 3 -2 44.382 88.764 0.454 2.86 4 18.5 3.4 297 6 3 2 44.382 88.764 0.454 2.86 4 10.3 1.0 298 0 7 2 44.601 89.203 0.456 2.85 4 19.7 3.8 299 3 1 -4 44.673 89.347 0.456 2.85 4 42.6 17.7 300 3 1 4 44.673 89.347 0.456 2.85 4 39.2 14.9 301 3 7 -1 44.744 89.487 0.457 2.84 4 2.8 0.1 302 3 7 1 44.744 89.487 0.457 2.84 4 20.2 4.0 303 4 4 -3 44.836 89.673 0.458 2.84 4 4.1 0.2 304 4 4 3 44.836 89.673 0.458 2.84 4 14.7 2.1 X-ray diffraction powder data (I)...X-Ray wave length = 1.54056 (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 7.436 14.871 5.95216 29.6 2.9 2.9 5.6 2 0 2 0 10.294 20.588 4.3105 37.8 3.7 3.7 5.6 3 0 1 1 10.538 21.076 4.21174 49.7 4.9 4.9 5.6 4 1 0 -1 10.662 21.324 4.16343 679.1 66.5 66.8 5.6 5 2 0 0 10.791 21.583 4.114 499.9 48.9 49.2 5.6 6 1 1 1 11.856 23.712 3.74912 366.5 35.9 36.0 5.6 7 0 2 1 13.862 27.723 3.21514 1021.5 100.0 100.0 5.6 8 1 2 1 14.905 29.81 2.99463 13.3 1.3 1.3 5.6 9 2 2 0 15.0 30.001 2.97608 275.8 27.0 26.9 5.6 10 2 1 1 15.173 30.346 2.94299 496.8 48.6 48.5 5.6 11 1 3 0 16.495 32.989 2.71296 296.2 29.0 28.9 5.6 12 3 1 0 17.141 34.282 2.61359 44.0 4.3 4.3 5.7 13 2 2 1 17.702 35.404 2.53329 138.8 13.6 13.5 5.7 14 3 0 -1 18.846 37.691 2.38462 87.0 8.5 8.4 5.7 15 1 3 1 19.008 38.016 2.36502 59.3 5.8 5.8 5.7 16 0 1 2 19.355 38.711 2.32414 54.5 5.3 5.3 5.7 17 3 1 1 19.582 39.163 2.29832 23.4 2.3 2.3 5.7 18 1 1 -2 20.145 40.29 2.23662 92.6 9.1 9.0 5.7 19 2 3 1 21.335 42.671 2.11715 74.6 7.3 7.2 5.7 20 0 2 2 21.455 42.911 2.10587 12.4 1.2 1.2 5.7 21 3 2 -1 21.663 43.327 2.0866 369.6 36.2 35.7 5.7 22 2 0 2 21.717 43.434 2.08171 44.9 4.4 4.3 5.7 23 4 0 0 21.991 43.983 2.057 87.0 8.5 8.4 5.7 24 1 2 -2 22.183 44.366 2.04011 61.5 6.0 5.9 5.7 25 2 1 2 22.374 44.749 2.02356 22.7 2.2 2.2 5.7 26 0 4 1 23.042 46.084 1.96799 136.7 13.4 13.2 5.7 27 2 4 0 23.795 47.591 1.90913 20.7 2.0 2.0 5.7 28 4 2 0 24.514 49.029 1.85645 21.5 2.1 2.1 5.7 29 0 3 2 24.632 49.263 1.84815 35.5 3.5 3.4 5.7 30 1 3 2 25.288 50.576 1.80322 15.2 1.5 1.5 5.8 31 2 4 -1 25.714 51.428 1.77532 53.1 5.2 5.1 5.8 32 4 2 1 26.395 52.789 1.73272 16.6 1.6 1.6 5.8 33 1 5 0 27.158 54.317 1.68755 32.4 3.2 3.1 5.8 34 3 2 2 27.462 54.924 1.6703 211.3 20.7 20.1 5.8 35 0 4 2 28.63 57.261 1.60757 44.4 4.3 4.2 5.8 36 3 4 1 28.799 57.598 1.59895 82.9 8.1 7.9 5.8 37 1 5 -1 28.917 57.834 1.593 22.0 2.2 2.1 5.8 38 1 4 -2 29.224 58.447 1.57774 57.0 5.6 5.4 5.8 39 5 0 -1 29.639 59.279 1.55757 88.3 8.6 8.4 5.8 40 5 1 1 30.169 60.337 1.53276 67.8 6.6 6.4 5.8 41 0 2 3 30.73 61.46 1.50741 10.5 1.0 1.0 5.8 42 2 1 3 31.45 62.9 1.47634 10.8 1.1 1.0 5.9 43 5 2 -1 31.724 63.449 1.46487 22.5 2.2 2.1 5.9 44 0 6 0 32.418 64.836 1.43683 80.7 7.9 7.6 5.9 45 5 3 0 32.643 65.286 1.42803 76.4 7.5 7.2 5.9 46 2 2 3 32.971 65.943 1.41539 57.3 5.6 5.4 5.9 47 0 3 3 33.276 66.551 1.40392 119.2 11.7 11.1 5.9 48 3 5 1 33.456 66.912 1.39722 34.2 3.4 3.2 5.9 49 3 4 2 33.738 67.477 1.38689 89.6 8.8 8.4 5.9 50 6 0 0 34.174 68.347 1.37133 36.2 3.5 3.4 5.9 51 5 3 1 34.23 68.459 1.36936 13.7 1.3 1.3 5.9 52 1 6 -1 34.55 69.1 1.35823 20.0 2.0 1.9 5.9 53 2 6 0 34.601 69.201 1.35648 22.8 2.2 2.1 5.9 54 5 1 2 34.997 69.995 1.34303 32.9 3.2 3.1 5.9 55 2 5 -2 35.457 70.913 1.32787 98.4 9.6 9.1 5.9 56 5 2 -2 36.445 72.89 1.29666 81.9 8.0 7.6 6.0 57 0 4 3 36.686 73.371 1.28933 20.9 2.0 1.9 6.0 58 4 4 2 37.454 74.908 1.26664 12.4 1.2 1.1 6.0 59 6 2 1 37.637 75.275 1.26139 28.0 2.7 2.6 6.0 60 3 5 2 38.076 76.151 1.24903 14.3 1.4 1.3 6.0 61 2 4 3 38.761 77.523 1.23033 22.3 2.2 2.0 6.0 62 0 0 4 39.666 79.332 1.20675 11.4 1.1 1.0 6.0 63 6 3 -1 39.979 79.959 1.19885 16.9 1.7 1.5 6.0 64 0 1 4 40.131 80.261 1.1951 17.5 1.7 1.6 6.0 65 0 7 1 40.202 80.404 1.19334 12.4 1.2 1.1 6.0 66 5 5 0 40.32 80.64 1.19043 13.1 1.3 1.2 6.1 67 6 1 -2 40.707 81.414 1.18107 11.6 1.1 1.1 6.1 68 3 4 3 41.311 82.622 1.16683 17.4 1.7 1.6 6.1 69 5 5 1 41.793 83.587 1.1558 28.6 2.8 2.6 6.1 70 5 4 -2 42.055 84.111 1.14993 84.5 8.3 7.6 6.1 71 2 1 4 42.158 84.316 1.14766 15.9 1.6 1.4 6.1 72 2 7 -1 42.228 84.457 1.1461 36.8 3.6 3.3 6.1 73 6 4 1 43.206 86.412 1.12512 12.1 1.2 1.1 6.1 74 3 7 0 43.283 86.567 1.1235 22.7 2.2 2.0 6.1 75 2 2 4 43.534 87.068 1.11831 24.7 2.4 2.2 6.1 76 7 2 1 44.246 88.492 1.10397 21.1 2.1 1.9 6.2 77 3 1 -4 44.673 89.347 1.0956 32.6 3.2 2.9 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) |