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 *** *********************** LUNEBURGITE 1 Mg(3)[H(2)O](6){B(2)(OH)(6)[PO(4)](2)} Triclinic P 1(-) Z = 1 R =0.026 NR =2069 27 .2 .1991 Ref.Str.: Sen Gurta P.K., Swihart G.H., Dimitrijevic R., Hossain M.B.(1991) * Amer. Mineral., 76, 1400-1407 Initial data from BDM-file Lattice parameters (cub. angs.,degr.): a = 6.3475 alpha = 84.46 b = 9.8027 beta = 106.4 c = 6.2976 gamma = 96.4 Unit cell volume (cub. angs.) = 372.7 Molar volume ( cub.cm/mol.) = 224.49 Co-ordinates, thermal parameters, occupation for atomic positions: NoP x/a y/b z/c B(j) atom / occupation 1 0.0 0.0 0.0 0.82 Mg = 1.00 2 0.3389 0.6662 0.6808 0.68 Mg = 1.00 3 0.2408 0.7231 0.1371 0.57 P = 1.00 4 0.8775 0.7114 0.7709 0.6 B = 1.00 5 0.2271 0.8737 0.172 0.96 O = 1.00 6 0.4113 0.7121 0.0108 0.96 O = 1.00 7 0.2895 0.6351 0.354 0.85 O = 1.00 8 0.0099 0.6628 0.9959 0.82 O = 1.00 9 0.8496 0.8582 0.7721 1.04 O = 1.00 10 0.0003 0.6912 0.61 1.04 O = 1.00 11 0.6646 0.6318 0.7228 0.83 O = 1.00 12 0.7808 0.9117 0.2092 1.48 O = 1.00 13 0.397 0.8785 0.6089 1.04 O = 1.00 14 0.2677 0.4561 0.7587 1.02 O = 1.00 15 0.2779 0.1276 0.2859 3.16 H = 1.00 16 0.078 0.3599 0.4879 3.16 H = 1.00 17 0.324 0.4464 0.3051 3.16 H = 1.00 18 0.6657 0.8588 0.1447 3.16 H = 1.00 19 0.8506 0.8667 0.3066 3.16 H = 1.00 20 0.6524 0.0656 0.3362 3.16 H = 1.00 21 0.3435 0.8946 0.4792 3.16 H = 1.00 22 0.8233 0.5581 0.1717 3.16 H = 1.00 23 0.6279 0.5878 0.1793 3.16 H = 1.00 Co-ordinates for all atomic positions : No NoP x/a y/b z/c 1 1 0.0 0.0 0.0 2 2 0.3389 0.6662 0.6808 3 3 0.2408 0.7231 0.1371 4 4 0.8775 0.7114 0.7709 5 5 0.2271 0.8737 0.172 6 6 0.4113 0.7121 0.0108 7 7 0.2895 0.6351 0.354 8 8 0.0099 0.6628 0.9959 9 9 0.8496 0.8582 0.7721 10 10 0.0003 0.6912 0.61 11 11 0.6646 0.6318 0.7228 12 12 0.7808 0.9117 0.2092 13 13 0.397 0.8785 0.6089 14 14 0.2677 0.4561 0.7587 15 15 0.2779 0.1276 0.2859 16 16 0.078 0.3599 0.4879 17 17 0.324 0.4464 0.3051 18 18 0.6657 0.8588 0.1447 19 19 0.8506 0.8667 0.3066 20 20 0.6524 0.0656 0.3362 21 21 0.3435 0.8946 0.4792 22 22 0.8233 0.5581 0.1717 23 23 0.6279 0.5878 0.1793 24 2 0.6611 0.3338 0.3192 25 3 0.7592 0.2769 0.8629 26 4 0.1225 0.2886 0.2291 27 5 0.7729 0.1263 0.828 28 6 0.5887 0.2879 0.9892 29 7 0.7105 0.3649 0.646 30 8 0.9901 0.3372 0.0041 31 9 0.1504 0.1418 0.2279 32 10 0.9997 0.3088 0.39 33 11 0.3354 0.3682 0.2772 34 12 0.2192 0.0883 0.7908 35 13 0.603 0.1215 0.3911 36 14 0.7323 0.5439 0.2413 37 15 0.7221 0.8724 0.7141 38 16 0.922 0.6401 0.5121 39 17 0.676 0.5536 0.6949 40 18 0.3343 0.1412 0.8553 41 19 0.1494 0.1333 0.6934 42 20 0.3476 0.9344 0.6638 43 21 0.6565 0.1054 0.5208 44 22 0.1767 0.4419 0.8283 45 23 0.3721 0.4122 0.8207 X-ray density (g/cm cub.) = 2.2 MU (1/cm) = 49.636 Mass attenuation coefficient (cm**2/g) = 22.531 Selected interatomic distances (cation-anion,anion-anion): NoP Atom Rad.sph. C.N. Distance NoP N. (angs.) (angs.) 1 Mg 2.52 6 2.0103 5 2.0543 9 2.2286 12 2.0103 5 2.0543 9 2.2286 12 2 Mg 2.52 6 2.0803 6 2.0403 7 2.1054 10 2.071 11 2.1003 13 2.0995 14 3 P 2.232 4 1.529 5 1.531 6 1.5161 7 1.5684 8 4 B 1.872 4 1.4923 8 1.4703 9 1.4806 10 1.4511 11 5 O 3.264 8 2.5099 6 2.5246 7 2.5197 8 2.9483 9 2.9741 12 2.6598 13 2.7983 9 3.0284 12 6 O 3.264 9 2.5099 5 2.5171 7 2.5163 8 3.0791 10 2.9495 11 2.9469 12 2.8601 13 3.0148 14 2.7561 14 7 O 3.264 8 2.5246 5 2.5171 6 2.4573 8 2.8878 10 2.8188 11 2.9141 13 2.9788 14 2.7673 11 8 O 3.264 8 2.5197 5 2.5163 6 2.4573 7 2.4068 9 2.4034 10 2.3827 11 3.1762 8 2.7542 14 9 O 3.264 8 2.9483 5 2.4068 8 2.4208 10 2.3968 11 3.0083 12 2.7871 13 2.7983 5 3.0535 12 10 O 3.264 9 3.0791 6 2.8878 7 2.4034 8 2.4208 9 2.4252 11 3.2585 12 2.9479 13 2.9366 14 2.8705 14 11 O 3.264 9 2.9495 6 2.8188 7 2.3827 8 2.3968 9 2.4252 10 3.0232 13 2.9397 14 2.7673 7 3.2149 14 12 O 3.264 7 2.9741 5 2.9469 6 3.0083 9 3.2585 10 3.0284 5 3.0535 9 2.9191 13 13 O 3.264 8 2.6598 5 2.8601 6 2.9141 7 2.7871 9 2.9479 10 3.0232 11 2.9191 12 2.9925 13 14 O 3.264 8 3.0148 6 2.9788 7 2.9366 10 2.9397 11 2.7561 6 2.7542 8 2.8705 10 3.2149 11 15 H 1.632 1 0.8101 9 16 H 1.632 1 0.8419 10 17 H 1.632 1 0.8181 11 18 H 1.632 1 0.8696 12 19 H 1.632 1 0.7778 12 20 H 1.632 1 0.8091 13 21 H 1.632 1 0.7989 13 22 H 1.632 1 0.8116 14 23 H 1.632 1 0.8137 14 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 0 1 0 4.546 9.092 0.051 315.41 2 14.7 98.4 2 1 0 0 7.296 14.592 0.082 121.06 2 11.4 22.5 3 0 0 1 7.342 14.685 0.083 119.5 2 26.4 120.3 4 -1 1 0 8.259 16.517 0.093 93.99 2 25.1 85.4 5 0 1 1 8.378 16.757 0.095 91.26 2 0.8 0.1 6 -1 0 1 8.827 17.654 0.1 82.0 2 44.0 228.4 7 0 -1 1 8.911 17.823 0.101 80.41 2 20.9 50.6 8 1 1 0 8.947 17.893 0.101 79.77 2 50.3 290.2 9 0 2 0 9.121 18.241 0.103 76.67 2 45.2 225.3 10 -1 1 1 9.399 18.799 0.106 72.06 2 6.5 4.4 11 -1 -1 1 10.464 20.929 0.118 57.72 2 25.1 52.4 12 -1 2 0 11.196 22.393 0.126 50.15 2 19.0 26.1 13 0 2 1 11.344 22.689 0.128 48.8 2 4.8 1.6 14 1 0 1 11.736 23.472 0.132 45.46 2 1.3 0.1 15 -1 2 1 11.877 23.754 0.134 44.34 2 14.9 14.1 16 0 -2 1 12.14 24.279 0.137 42.35 2 25.1 38.3 17 1 2 0 12.22 24.44 0.137 41.76 2 17.5 18.4 18 1 -1 1 12.556 25.112 0.141 39.45 2 4.1 1.0 19 1 1 1 12.662 25.323 0.142 38.76 2 19.7 21.6 20 -1 -2 1 13.562 27.124 0.152 33.53 2 20.5 20.2 21 0 3 0 13.755 27.51 0.154 32.54 2 54.8 140.9 22 -2 0 1 14.539 29.077 0.163 28.92 2 28.5 33.7 23 -1 0 2 14.611 29.222 0.164 28.61 2 44.3 80.9 24 -2 1 1 14.697 29.394 0.165 28.25 2 37.1 56.0 25 2 0 0 14.714 29.427 0.165 28.19 2 47.2 90.5 26 0 0 2 14.809 29.618 0.166 27.8 2 41.7 69.5 27 -1 1 2 14.814 29.628 0.166 27.78 2 23.4 22.0 28 1 -2 1 14.853 29.707 0.166 27.62 2 52.7 110.4 29 -2 1 0 15.029 30.058 0.168 26.93 2 49.1 93.5 30 1 2 1 15.034 30.068 0.168 26.92 2 48.6 91.6 31 -1 3 0 15.04 30.08 0.168 26.89 2 47.3 86.8 32 0 3 1 15.197 30.394 0.17 26.3 2 19.2 13.9 33 0 1 2 15.212 30.423 0.17 26.25 2 66.5 167.1 34 -1 3 1 15.41 30.819 0.172 25.53 2 54.0 107.0 35 -2 -1 1 15.81 31.621 0.177 24.15 2 44.4 68.6 36 2 1 0 15.822 31.645 0.177 24.11 2 30.8 33.0 37 0 -1 2 15.826 31.653 0.177 24.1 2 46.3 74.4 38 -1 -1 2 15.835 31.67 0.177 24.07 2 20.4 14.4 39 0 -3 1 16.112 32.224 0.18 23.19 2 4.7 0.7 40 1 3 0 16.216 32.432 0.181 22.87 2 22.1 16.0 41 -2 2 1 16.247 32.494 0.182 22.77 2 7.6 1.9 42 -1 2 2 16.396 32.792 0.183 22.33 2 34.4 38.1 43 -2 2 0 16.696 33.391 0.186 21.47 2 12.4 4.8 44 0 2 2 16.943 33.886 0.189 20.79 2 3.8 0.4 45 -1 -3 1 17.413 34.826 0.194 19.59 2 22.0 13.6 46 -2 1 2 17.869 35.739 0.199 18.51 2 30.2 24.2 47 -2 0 2 17.873 35.746 0.199 18.5 2 66.8 118.8 48 0 -2 2 18.048 36.096 0.201 18.11 2 7.5 1.5 49 1 -3 1 18.12 36.24 0.202 17.95 2 10.3 2.8 50 2 2 0 18.121 36.242 0.202 17.95 2 7.1 1.3 51 -1 -2 2 18.228 36.455 0.203 17.72 2 2.0 0.1 52 -2 -2 1 18.244 36.488 0.203 17.69 2 9.4 2.3 53 2 0 1 18.307 36.614 0.204 17.55 2 22.7 13.1 54 1 3 1 18.347 36.695 0.204 17.47 2 13.1 4.3 55 1 0 2 18.366 36.733 0.205 17.43 2 17.1 7.3 56 0 4 0 18.483 36.966 0.206 17.19 2 38.8 37.3 57 2 -1 1 18.699 37.398 0.208 16.75 2 10.4 2.6 58 1 1 2 18.867 37.735 0.21 16.43 2 9.8 2.3 59 -2 3 1 18.884 37.768 0.21 16.39 2 7.0 1.1 60 -1 3 2 19.051 38.102 0.212 16.08 2 2.5 0.1 61 1 -1 2 19.052 38.104 0.212 16.08 2 31.7 23.2 62 -2 2 2 19.064 38.128 0.212 16.05 2 16.7 6.4 63 -2 -1 2 19.074 38.147 0.212 16.04 2 11.9 3.3 64 2 1 1 19.104 38.208 0.212 15.98 2 36.7 31.1 65 -1 4 0 19.327 38.653 0.215 15.58 2 23.5 12.4 66 -2 3 0 19.405 38.811 0.216 15.44 2 22.1 10.8 67 0 4 1 19.489 38.978 0.217 15.29 2 18.1 7.2 68 -1 4 1 19.499 38.999 0.217 15.27 2 21.9 10.6 69 0 3 2 19.694 39.388 0.219 14.94 2 18.4 7.3 70 2 -2 1 20.22 40.44 0.224 14.09 2 26.3 14.1 71 0 -4 1 20.476 40.951 0.227 13.7 2 43.5 37.3 72 1 2 2 20.481 40.962 0.227 13.69 2 35.6 25.0 73 1 4 0 20.595 41.19 0.228 13.52 2 47.9 44.8 74 1 -2 2 20.825 41.649 0.231 13.19 2 40.6 31.2 75 2 2 1 20.974 41.949 0.232 12.98 2 25.8 12.5 76 0 -3 2 21.148 42.296 0.234 12.74 2 26.4 12.8 77 2 3 0 21.278 42.557 0.236 12.57 2 17.5 5.5 78 -2 3 2 21.285 42.57 0.236 12.56 2 20.8 7.8 79 -2 -2 2 21.3 42.6 0.236 12.54 2 23.8 10.3 80 -1 -3 2 21.455 42.91 0.237 12.34 2 56.7 57.1 81 -3 1 1 21.499 42.999 0.238 12.28 2 11.8 2.5 82 -2 -3 1 21.502 43.005 0.238 12.28 2 33.0 19.3 83 -3 0 1 21.535 43.07 0.238 12.24 2 24.2 10.3 84 -1 0 3 21.673 43.345 0.24 12.06 2 1.3 0.0 85 -1 -4 1 21.698 43.395 0.24 12.03 2 17.4 5.2 86 -1 1 3 21.702 43.405 0.24 12.03 2 18.7 6.0 87 1 -4 1 21.998 43.996 0.243 11.67 2 14.8 3.7 88 1 4 1 22.256 44.512 0.246 11.36 2 0.3 0.0 89 -2 4 1 22.284 44.568 0.246 11.33 2 20.3 6.7 90 3 0 0 22.394 44.789 0.247 11.2 2 43.7 30.8 91 -1 4 2 22.462 44.923 0.248 11.13 2 16.8 4.5 92 -3 1 0 22.472 44.944 0.248 11.12 2 18.4 5.4 93 -3 2 1 22.5 45.001 0.248 11.09 2 66.4 70.3 94 0 0 3 22.544 45.088 0.249 11.04 2 24.1 9.2 95 -3 -1 1 22.604 45.208 0.249 10.97 2 17.6 4.9 96 -1 -1 3 22.673 45.346 0.25 10.9 2 4.6 0.3 97 2 -3 1 22.682 45.363 0.25 10.89 2 19.1 5.7 98 0 1 3 22.716 45.433 0.251 10.85 2 7.4 0.9 99 -1 2 3 22.759 45.519 0.251 10.8 2 50.1 39.1 100 -2 4 0 22.851 45.703 0.252 10.71 2 41.2 26.2 101 1 3 2 23.014 46.028 0.254 10.53 2 32.3 15.8 102 0 4 2 23.167 46.334 0.255 10.38 2 62.3 58.1 103 -3 1 2 23.2 46.4 0.256 10.34 2 28.5 12.1 104 -2 1 3 23.312 46.625 0.257 10.23 2 20.8 6.4 105 3 1 0 23.323 46.647 0.257 10.22 2 39.4 22.9 106 -3 0 2 23.343 46.686 0.257 10.2 2 12.7 2.4 107 0 5 0 23.346 46.692 0.257 10.2 2 54.8 44.1 108 0 -1 3 23.376 46.752 0.258 10.17 2 35.4 18.4 109 -2 0 3 23.424 46.848 0.258 10.12 2 39.0 22.2 110 1 -3 2 23.483 46.966 0.259 10.06 2 16.6 4.0 111 -3 2 0 23.548 47.097 0.259 10.0 2 12.6 2.3 112 2 3 1 23.711 47.422 0.261 9.85 2 31.3 13.9 113 0 2 3 23.875 47.751 0.263 9.69 2 18.0 4.5 114 -1 5 0 23.911 47.823 0.263 9.66 2 15.9 3.5 115 -1 5 1 23.951 47.901 0.264 9.62 2 8.0 0.9 116 2 0 2 24.004 48.008 0.264 9.58 2 65.2 58.5 117 -3 2 2 24.039 48.079 0.264 9.54 2 8.6 1.0 118 0 5 1 24.079 48.157 0.265 9.51 2 33.7 15.5 119 -2 2 3 24.179 48.357 0.266 9.42 2 1.6 0.0 120 -2 4 2 24.307 48.613 0.267 9.31 2 17.4 4.0 121 -2 -3 2 24.325 48.65 0.267 9.29 2 8.9 1.1 122 2 -1 2 24.425 48.85 0.268 9.2 2 12.1 1.9 123 -3 3 1 24.438 48.875 0.269 9.19 2 11.3 1.7 124 -3 -1 2 24.455 48.91 0.269 9.18 2 29.3 11.4 125 -2 -1 3 24.503 49.006 0.269 9.14 2 22.8 6.8 126 2 1 2 24.544 49.089 0.27 9.1 2 9.0 1.1 127 -3 -2 1 24.6 49.199 0.27 9.06 2 2.3 0.1 128 -1 -2 3 24.605 49.21 0.27 9.05 2 18.3 4.3 129 -1 3 3 24.74 49.481 0.272 8.94 2 3.4 0.2 130 0 -4 2 24.872 49.744 0.273 8.83 2 0.9 0.0 131 2 4 0 25.046 50.091 0.275 8.69 2 5.8 0.4 132 0 -5 1 25.125 50.25 0.276 8.63 2 43.8 23.8 133 0 -2 3 25.135 50.27 0.276 8.62 2 12.9 2.1 134 3 2 0 25.173 50.346 0.276 8.59 2 4.1 0.2 135 1 5 0 25.256 50.512 0.277 8.53 2 11.1 1.5 136 -1 -4 2 25.275 50.55 0.277 8.52 2 4.5 0.2 137 -2 -4 1 25.346 50.692 0.278 8.46 2 1.1 0.0 138 -3 3 0 25.527 51.053 0.28 8.33 2 32.6 12.7 139 3 0 1 25.711 51.423 0.282 8.19 2 1.7 0.0 140 2 -2 2 25.772 51.544 0.282 8.15 2 2.7 0.1 141 -3 3 2 25.788 51.576 0.282 8.13 2 5.2 0.3 142 1 0 3 25.831 51.663 0.283 8.1 2 17.6 3.6 143 2 -4 1 25.878 51.757 0.283 8.07 2 7.0 0.6 144 3 -1 1 25.882 51.765 0.283 8.07 2 35.0 14.2 145 0 3 3 25.921 51.842 0.284 8.04 2 30.6 10.8 146 -2 3 3 25.949 51.898 0.284 8.02 2 16.3 3.1 147 2 2 2 26.001 52.002 0.285 7.98 2 2.5 0.1 148 1 1 3 26.116 52.232 0.286 7.9 2 18.2 3.8 149 -2 5 1 26.233 52.467 0.287 7.82 2 1.7 0.0 150 1 4 2 26.265 52.53 0.287 7.8 2 15.8 2.8 151 -1 -5 1 26.305 52.609 0.288 7.78 2 34.0 13.0 152 1 -5 1 26.31 52.619 0.288 7.77 2 3.2 0.1 153 -1 5 2 26.419 52.838 0.289 7.7 2 15.5 2.7 154 -3 -2 2 26.444 52.888 0.289 7.68 2 26.9 8.0 155 3 1 1 26.453 52.906 0.289 7.68 2 12.8 1.8 156 1 -1 3 26.458 52.916 0.289 7.67 2 14.8 2.4 157 -2 -2 3 26.461 52.922 0.289 7.67 2 3.6 0.1 158 1 5 1 26.592 53.184 0.291 7.59 2 15.2 2.5 159 1 -4 2 26.832 53.665 0.293 7.43 2 6.3 0.4 160 -2 5 0 26.836 53.672 0.293 7.43 2 0.4 0.0 161 3 -2 1 26.954 53.907 0.294 7.36 2 9.0 0.9 162 2 4 1 27.123 54.245 0.296 7.25 2 6.4 0.4 163 -3 4 1 27.163 54.326 0.296 7.23 2 6.0 0.4 164 0 5 2 27.172 54.344 0.296 7.22 2 11.6 1.4 165 -3 1 3 27.186 54.372 0.297 7.21 2 36.4 13.8 166 1 2 3 27.291 54.583 0.298 7.15 2 16.7 2.9 167 -1 -3 3 27.323 54.646 0.298 7.13 2 23.7 5.8 168 -3 -3 1 27.373 54.746 0.298 7.1 2 1.4 0.0 169 -3 0 3 27.41 54.82 0.299 7.08 2 24.1 5.9 170 -1 4 3 27.499 54.998 0.3 7.03 2 8.9 0.8 171 0 -3 3 27.692 55.385 0.302 6.92 2 59.9 35.7 172 3 3 0 27.81 55.62 0.303 6.85 2 66.7 43.9 173 -3 2 3 27.841 55.682 0.303 6.83 2 18.5 3.4 174 -2 5 2 27.948 55.896 0.304 6.77 2 3.2 0.1 175 2 -3 2 27.949 55.898 0.304 6.77 2 11.8 1.4 176 1 -2 3 27.953 55.907 0.304 6.77 2 5.1 0.3 177 -2 -4 2 27.969 55.939 0.304 6.76 2 8.7 0.7 178 3 2 1 28.057 56.114 0.305 6.71 2 3.1 0.1 179 -3 4 0 28.272 56.543 0.307 6.6 2 4.7 0.2 180 2 3 2 28.274 56.548 0.307 6.6 2 27.5 7.2 181 -3 4 2 28.326 56.652 0.308 6.57 2 13.8 1.8 182 0 6 0 28.394 56.788 0.309 6.54 2 22.6 4.8 183 -3 -1 3 28.5 57.001 0.31 6.48 2 27.9 7.3 184 -2 4 3 28.504 57.008 0.31 6.48 2 7.8 0.6 185 -1 6 1 28.708 57.416 0.312 6.37 2 32.7 9.8 186 0 4 3 28.72 57.44 0.312 6.37 2 5.3 0.3 187 -1 6 0 28.768 57.535 0.312 6.34 2 23.8 5.2 188 3 -3 1 28.856 57.713 0.313 6.3 2 12.0 1.3 189 0 6 1 28.941 57.882 0.314 6.26 2 14.7 1.9 190 0 -5 2 29.078 58.156 0.315 6.19 2 11.2 1.1 191 -4 1 1 29.1 58.199 0.316 6.18 2 58.7 30.7 192 -2 -3 3 29.177 58.353 0.316 6.15 2 4.2 0.2 193 -3 -3 2 29.187 58.374 0.317 6.14 2 19.5 3.4 194 -4 0 1 29.248 58.496 0.317 6.11 2 19.3 3.3 195 1 3 3 29.285 58.57 0.318 6.09 2 16.3 2.3 196 2 5 0 29.287 58.574 0.318 6.09 2 31.4 8.7 197 -3 3 3 29.337 58.673 0.318 6.07 2 62.7 34.3 198 -1 1 4 29.386 58.772 0.319 6.05 2 55.7 27.0 199 -1 0 4 29.454 58.909 0.319 6.02 2 2.1 0.0 200 -1 -5 2 29.56 59.119 0.32 5.97 2 9.9 0.8 201 -2 -5 1 29.65 59.299 0.321 5.93 2 5.4 0.2 202 2 -5 1 29.659 59.318 0.321 5.92 2 64.8 35.8 203 -4 2 1 29.793 59.586 0.323 5.86 2 1.7 0.0 204 -4 1 2 29.9 59.799 0.324 5.82 2 23.2 4.5 205 0 -6 1 30.05 60.101 0.325 5.75 2 6.5 0.4 206 1 5 2 30.091 60.181 0.325 5.73 2 55.9 25.8 207 -2 1 4 30.114 60.229 0.326 5.72 2 21.5 3.8 208 -4 0 2 30.137 60.273 0.326 5.72 2 0.3 0.0 209 -1 2 4 30.153 60.306 0.326 5.71 2 9.1 0.7 210 1 6 0 30.192 60.385 0.326 5.69 2 0.4 0.0 211 -4 -1 1 30.23 60.46 0.327 5.68 2 35.8 10.4 212 1 -3 3 30.232 60.463 0.327 5.68 2 18.7 2.9 213 -2 0 4 30.299 60.598 0.327 5.65 2 14.5 1.7 214 -1 -1 4 30.355 60.71 0.328 5.62 2 30.3 7.4 215 -3 -2 3 30.396 60.791 0.328 5.61 2 2.9 0.1 216 3 3 1 30.433 60.867 0.329 5.59 2 9.1 0.7 217 -4 1 0 30.475 60.95 0.329 5.57 2 2.4 0.0 218 -4 2 2 30.491 60.983 0.329 5.57 2 4.7 0.2 219 4 0 0 30.529 61.058 0.33 5.55 2 23.4 4.4 220 -3 5 1 30.542 61.084 0.33 5.55 2 32.8 8.6 221 -2 6 1 30.628 61.256 0.331 5.51 2 56.5 25.4 222 -1 -4 3 30.695 61.39 0.331 5.49 2 43.7 15.1 223 1 -5 2 30.74 61.48 0.332 5.47 2 23.3 4.3 224 0 0 4 30.743 61.487 0.332 5.47 2 5.7 0.3 225 -2 2 4 30.755 61.51 0.332 5.46 2 7.0 0.4 226 0 1 4 30.792 61.585 0.332 5.45 2 14.6 1.7 227 -3 -4 1 30.793 61.586 0.332 5.45 2 38.9 11.9 228 -1 6 2 30.822 61.644 0.333 5.44 2 32.3 8.2 229 2 -4 2 30.843 61.686 0.333 5.43 2 8.6 0.6 230 -1 5 3 30.905 61.81 0.333 5.4 2 21.6 3.6 231 3 0 2 30.915 61.829 0.333 5.4 2 13.9 1.5 232 0 -4 3 30.924 61.847 0.334 5.4 2 18.3 2.6 233 2 0 3 30.981 61.962 0.334 5.37 2 35.2 9.6 234 1 -6 1 30.993 61.985 0.334 5.37 2 22.7 4.0 235 2 5 1 31.083 62.166 0.335 5.34 2 9.6 0.7 236 3 4 0 31.11 62.219 0.335 5.33 2 14.4 1.6 237 3 -1 2 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3 34.18 68.36 0.365 4.35 2 18.3 2.1 303 1 1 4 34.181 68.361 0.365 4.35 2 11.7 0.9 304 -3 -1 4 34.244 68.489 0.365 4.33 2 31.7 6.3 305 -1 -6 2 34.266 68.532 0.365 4.33 2 8.9 0.5 306 2 -5 2 34.364 68.728 0.366 4.3 2 1.6 0.0 307 -2 4 4 34.371 68.741 0.366 4.3 2 30.1 5.6 308 -2 -6 1 34.373 68.746 0.366 4.3 2 8.8 0.5 309 1 6 2 34.418 68.835 0.367 4.29 2 8.9 0.5 310 2 3 3 34.433 68.865 0.367 4.29 2 22.0 3.0 311 -1 -3 4 34.465 68.931 0.367 4.28 2 8.6 0.5 312 -3 6 1 34.488 68.976 0.368 4.27 2 10.0 0.6 313 -4 -3 1 34.493 68.987 0.368 4.27 2 8.2 0.4 314 -4 3 3 34.503 69.006 0.368 4.27 2 10.5 0.7 315 -3 5 3 34.548 69.096 0.368 4.26 2 3.2 0.1 316 4 1 1 34.574 69.148 0.368 4.25 2 29.9 5.5 317 -1 -5 3 34.636 69.272 0.369 4.23 2 12.9 1.0 318 1 -1 4 34.642 69.284 0.369 4.23 2 35.9 7.9 319 2 -3 3 34.652 69.305 0.369 4.23 2 9.3 0.5 320 -3 3 4 34.664 69.327 0.369 4.23 2 16.0 1.6 321 4 -2 1 34.677 69.354 0.369 4.22 2 12.8 1.0 322 0 -5 3 34.742 69.485 0.37 4.21 2 19.6 2.3 323 -3 -5 1 34.776 69.552 0.37 4.2 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3.54 2 10.1 0.5 389 -4 5 0 38.031 76.062 0.4 3.54 2 7.3 0.3 390 3 1 3 38.045 76.091 0.4 3.54 2 12.0 0.7 391 -1 0 5 38.05 76.099 0.4 3.54 2 6.1 0.2 392 1 -3 4 38.11 76.219 0.401 3.53 2 10.7 0.6 393 -3 6 3 38.129 76.257 0.401 3.52 2 73.1 27.1 394 -5 2 2 38.129 76.259 0.401 3.52 2 1.2 0.0 395 -2 0 5 38.275 76.55 0.402 3.5 2 15.1 1.1 396 4 3 1 38.275 76.551 0.402 3.5 2 18.2 1.7 397 0 -4 4 38.289 76.579 0.402 3.5 2 11.3 0.6 398 2 -6 2 38.464 76.928 0.404 3.47 2 4.2 0.1 399 4 4 0 38.466 76.932 0.404 3.47 2 25.1 3.1 400 -1 2 5 38.506 77.012 0.404 3.46 2 4.3 0.1 401 4 -4 1 38.507 77.014 0.404 3.46 2 3.9 0.1 402 -2 2 5 38.522 77.044 0.404 3.46 2 1.7 0.0 403 -4 -3 3 38.549 77.099 0.405 3.46 2 5.2 0.1 404 -3 -3 4 38.565 77.129 0.405 3.45 2 3.7 0.1 405 3 -6 1 38.686 77.372 0.406 3.44 2 5.2 0.1 406 0 5 4 38.687 77.374 0.406 3.44 2 17.5 1.5 407 2 -7 1 38.721 77.442 0.406 3.43 2 32.3 5.2 408 -2 -4 4 38.725 77.451 0.406 3.43 2 0.5 0.0 409 -5 -1 1 38.733 77.467 0.406 3.43 2 7.7 0.3 410 -4 -4 2 38.765 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8.7 0.3 476 -1 6 4 40.634 81.268 0.423 3.18 2 15.7 1.1 477 2 -5 3 40.686 81.373 0.423 3.17 2 34.0 5.3 478 3 -3 3 40.707 81.413 0.423 3.17 2 32.6 4.8 479 -2 8 1 40.719 81.439 0.423 3.17 2 3.5 0.1 480 0 7 3 40.73 81.46 0.424 3.17 2 23.2 2.5 481 -2 6 4 40.755 81.51 0.424 3.17 2 13.9 0.9 482 2 -2 4 40.757 81.514 0.424 3.16 2 8.5 0.3 483 -4 4 4 40.787 81.575 0.424 3.16 2 3.6 0.1 484 -4 -2 4 40.811 81.622 0.424 3.16 2 63.5 18.3 485 -5 -2 2 40.849 81.698 0.425 3.15 2 23.4 2.5 486 4 2 2 40.887 81.774 0.425 3.15 2 5.3 0.1 487 1 -4 4 40.896 81.793 0.425 3.15 2 2.8 0.0 488 -1 8 2 40.937 81.874 0.425 3.14 2 7.1 0.2 489 0 -8 1 40.942 81.884 0.425 3.14 2 0.7 0.0 490 -2 -2 5 40.962 81.924 0.426 3.14 2 15.3 1.1 491 1 -6 3 40.989 81.978 0.426 3.14 2 9.3 0.4 492 -2 -6 3 40.997 81.993 0.426 3.14 2 5.8 0.2 493 -3 -6 2 41.074 82.147 0.426 3.13 2 7.0 0.2 494 1 8 0 41.112 82.224 0.427 3.13 2 7.4 0.2 495 3 3 3 41.116 82.232 0.427 3.13 2 15.2 1.0 496 -5 3 0 41.155 82.309 0.427 3.12 2 15.9 1.1 497 -5 4 2 41.168 82.337 0.427 3.12 2 22.0 2.2 498 4 4 1 41.173 82.345 0.427 3.12 2 9.1 0.4 499 3 5 2 41.195 82.391 0.428 3.12 2 26.2 3.1 500 -5 3 3 41.205 82.409 0.428 3.12 2 9.6 0.4 501 -5 4 1 41.232 82.463 0.428 3.11 2 5.9 0.2 502 -1 -5 4 41.286 82.573 0.428 3.11 2 21.0 2.0 503 -5 -1 3 41.311 82.623 0.429 3.11 2 6.3 0.2 504 3 6 1 41.439 82.878 0.43 3.09 2 11.8 0.6 505 -2 8 0 41.445 82.891 0.43 3.09 2 9.7 0.4 506 -4 -5 1 41.449 82.898 0.43 3.09 2 8.1 0.3 507 4 -3 2 41.449 82.899 0.43 3.09 2 25.0 2.8 508 -3 -1 5 41.456 82.911 0.43 3.09 2 0.2 0.0 509 4 -5 1 41.465 82.93 0.43 3.09 2 8.4 0.3 510 -3 3 5 41.53 83.061 0.43 3.08 2 7.8 0.3 511 1 -8 1 41.568 83.136 0.431 3.08 2 16.3 1.2 512 -4 6 0 41.644 83.288 0.431 3.07 2 15.3 1.0 513 -2 4 5 41.689 83.379 0.432 3.07 2 21.4 2.0 514 -3 -4 4 41.753 83.506 0.432 3.06 2 24.8 2.7 515 -4 -4 3 41.761 83.522 0.432 3.06 2 3.2 0.0 516 0 3 5 41.791 83.582 0.433 3.06 2 3.0 0.0 517 0 8 2 41.855 83.711 0.433 3.05 2 4.0 0.1 518 -1 4 5 41.879 83.757 0.433 3.05 2 6.3 0.2 519 -2 8 2 41.881 83.763 0.433 3.05 2 4.6 0.1 520 0 -5 4 41.901 83.801 0.434 3.05 2 7.4 0.2 521 5 2 0 41.904 83.807 0.434 3.05 2 1.0 0.0 522 -2 -7 2 41.911 83.823 0.434 3.05 2 6.9 0.2 523 1 8 1 41.931 83.861 0.434 3.04 2 3.2 0.0 524 0 -2 5 41.973 83.946 0.434 3.04 2 6.3 0.2 525 2 3 4 41.999 83.998 0.434 3.04 2 23.7 2.5 526 4 5 0 42.164 84.328 0.436 3.02 2 16.8 1.2 527 -1 -8 1 42.178 84.356 0.436 3.02 2 57.8 14.6 528 1 5 4 42.209 84.417 0.436 3.02 2 10.1 0.4 529 -3 7 3 42.326 84.653 0.437 3.01 2 10.7 0.5 530 0 6 4 42.376 84.753 0.438 3.0 2 12.1 0.6 531 -4 6 3 42.517 85.034 0.439 2.99 2 20.4 1.8 532 -2 -5 4 42.532 85.064 0.439 2.99 2 9.8 0.4 533 -4 -5 2 42.616 85.232 0.44 2.98 2 4.6 0.1 534 2 -3 4 42.683 85.365 0.44 2.98 2 1.0 0.0 535 -3 6 4 42.735 85.471 0.44 2.97 2 10.6 0.5 536 -5 -3 1 42.836 85.672 0.441 2.97 2 23.7 2.4 537 -1 -3 5 42.848 85.696 0.441 2.97 2 21.7 2.0 538 5 -1 1 42.87 85.741 0.442 2.96 2 19.5 1.6 539 5 0 1 42.94 85.88 0.442 2.96 2 8.8 0.3 540 4 3 2 42.947 85.895 0.442 2.96 2 0.7 0.0 541 -5 4 3 42.987 85.974 0.443 2.96 2 13.8 0.8 542 -5 -2 3 43.146 86.292 0.444 2.94 2 0.3 0.0 543 2 -7 2 43.153 86.306 0.444 2.94 2 11.4 0.6 544 3 -4 3 43.173 86.347 0.444 2.94 2 20.6 1.8 545 -5 4 0 43.176 86.351 0.444 2.94 2 1.0 0.0 546 3 -7 1 43.189 86.377 0.444 2.94 2 7.5 0.2 547 1 0 5 43.223 86.446 0.445 2.94 2 28.0 3.3 548 -3 -2 5 43.245 86.489 0.445 2.94 2 10.5 0.5 549 1 1 5 43.288 86.577 0.445 2.93 2 19.0 1.5 550 -4 5 4 43.317 86.634 0.445 2.93 2 14.9 0.9 551 -5 -3 2 43.329 86.658 0.445 2.93 2 14.2 0.9 552 -4 -3 4 43.349 86.697 0.446 2.93 2 13.6 0.8 553 -3 4 5 43.356 86.712 0.446 2.93 2 13.8 0.8 554 -2 -3 5 43.373 86.747 0.446 2.93 2 24.6 2.6 555 5 -2 1 43.522 87.044 0.447 2.92 2 15.8 1.1 556 3 -6 2 43.551 87.102 0.447 2.91 2 6.3 0.2 557 3 4 3 43.714 87.428 0.449 2.9 2 2.4 0.0 558 4 -4 2 43.729 87.458 0.449 2.9 2 5.9 0.1 559 5 1 1 43.731 87.461 0.449 2.9 2 21.3 1.9 560 -5 1 4 43.747 87.493 0.449 2.9 2 5.1 0.1 561 -5 5 2 43.752 87.503 0.449 2.9 2 13.8 0.8 562 2 7 2 43.784 87.568 0.449 2.9 2 14.9 0.9 563 -4 1 5 43.875 87.75 0.45 2.89 2 9.4 0.4 564 1 -1 5 43.878 87.756 0.45 2.89 2 8.4 0.3 565 -5 5 1 43.894 87.787 0.45 2.89 2 6.3 0.2 566 1 7 3 43.914 87.827 0.45 2.89 2 8.0 0.3 567 0 4 5 43.921 87.841 0.45 2.89 2 6.8 0.2 568 -5 2 4 44.001 88.002 0.451 2.88 2 3.1 0.0 569 -3 8 1 44.031 88.062 0.451 2.88 2 9.4 0.4 570 2 -8 1 44.045 88.09 0.451 2.88 2 19.9 1.6 571 0 -7 3 44.073 88.146 0.452 2.88 2 12.3 0.6 572 1 2 5 44.075 88.149 0.452 2.88 2 0.9 0.0 573 -4 2 5 44.152 88.304 0.452 2.88 2 4.9 0.1 574 0 -3 5 44.174 88.348 0.452 2.87 2 11.7 0.6 575 -1 -7 3 44.177 88.354 0.452 2.87 2 18.2 1.4 576 -5 0 4 44.213 88.425 0.453 2.87 2 7.2 0.2 577 5 3 0 44.218 88.435 0.453 2.87 2 7.3 0.2 578 -4 7 1 44.262 88.525 0.453 2.87 2 6.2 0.2 579 2 6 3 44.285 88.57 0.453 2.87 2 9.5 0.4 580 -4 0 5 44.318 88.637 0.454 2.87 2 14.9 0.9 581 -2 5 5 44.336 88.673 0.454 2.86 2 0.8 0.0 582 1 -5 4 44.365 88.729 0.454 2.86 2 2.3 0.0 583 0 -8 2 44.397 88.793 0.454 2.86 2 5.8 0.1 584 -3 -7 1 44.398 88.796 0.454 2.86 2 4.8 0.1 585 2 4 4 44.41 88.821 0.454 2.86 2 15.4 1.0 586 3 7 0 44.44 88.879 0.454 2.86 2 4.8 0.1 587 -4 7 2 44.473 88.945 0.455 2.86 2 8.7 0.3 588 -1 8 3 44.485 88.97 0.455 2.86 2 15.5 1.0 589 1 8 2 44.621 89.241 0.456 2.85 2 5.4 0.1 590 -1 5 5 44.626 89.252 0.456 2.85 2 13.6 0.8 591 -3 8 2 44.673 89.345 0.456 2.85 2 15.0 0.9 592 2 -6 3 44.696 89.392 0.457 2.84 2 5.9 0.1 593 -3 -6 3 44.708 89.416 0.457 2.84 2 11.9 0.6 594 2 8 0 44.71 89.419 0.457 2.84 2 7.1 0.2 595 4 5 1 44.751 89.501 0.457 2.84 2 12.3 0.6 596 5 -3 1 44.893 89.785 0.458 2.83 2 11.4 0.5 597 -1 7 4 44.911 89.823 0.458 2.83 2 8.8 0.3 598 -2 8 3 44.912 89.823 0.458 2.83 2 3.1 0.0 599 -2 7 4 44.929 89.858 0.458 2.83 2 1.7 0.0 600 -5 3 4 44.975 89.951 0.459 2.83 2 8.4 0.3 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 0 1 0 4.546 9.092 9.71889 98.4 33.9 34.1 5.6 2 1 0 0 7.296 14.592 6.06552 22.5 7.7 7.8 5.6 3 0 0 1 7.342 14.685 6.02729 120.3 41.5 41.5 5.6 4 -1 1 0 8.259 16.517 5.36244 85.4 29.4 29.4 5.6 5 -1 0 1 8.827 17.654 5.01967 228.4 78.7 78.7 5.6 6 0 -1 1 8.911 17.823 4.97248 50.6 17.4 17.4 5.6 7 1 1 0 8.947 17.893 4.95317 290.2 100.0 100.0 5.6 8 0 2 0 9.121 18.241 4.85945 225.3 77.6 77.6 5.6 9 -1 1 1 9.399 18.799 4.71659 4.4 1.5 1.5 5.6 10 -1 -1 1 10.464 20.929 4.24108 52.4 18.0 18.0 5.6 11 -1 2 0 11.196 22.393 3.96701 26.1 9.0 9.0 5.6 12 -1 2 1 11.877 23.754 3.74268 14.1 4.9 4.8 5.6 13 0 -2 1 12.14 24.279 3.66286 38.3 13.2 13.1 5.6 14 1 2 0 12.22 24.44 3.63907 18.4 6.3 6.3 5.6 15 1 1 1 12.662 25.323 3.51414 21.6 7.5 7.4 5.6 16 -1 -2 1 13.562 27.124 3.28479 20.2 7.0 6.9 5.6 17 0 3 0 13.755 27.51 3.23963 140.9 48.5 48.2 5.6 18 -2 0 1 14.539 29.077 3.06845 33.7 11.6 11.5 5.6 19 -1 0 2 14.611 29.222 3.05357 80.9 27.9 27.6 5.6 20 2 0 0 14.714 29.427 3.03276 146.5 50.5 50.1 5.6 21 0 0 2 14.809 29.618 3.01364 91.5 31.5 31.3 5.6 22 1 -2 1 14.853 29.707 3.00486 110.4 38.1 37.7 5.6 23 -2 1 0 15.029 30.058 2.97054 271.9 93.7 92.8 5.6 24 0 1 2 15.212 30.423 2.93568 181.0 62.4 61.8 5.6 25 -1 3 1 15.41 30.819 2.89884 107.0 36.9 36.5 5.6 26 0 -1 2 15.826 31.653 2.82442 190.4 65.6 64.9 5.6 27 1 3 0 16.216 32.432 2.75828 16.0 5.5 5.5 5.6 28 -1 2 2 16.396 32.792 2.72885 38.1 13.1 13.0 5.6 29 -2 2 0 16.696 33.391 2.68122 4.8 1.6 1.6 5.7 30 -1 -3 1 17.413 34.826 2.57397 13.6 4.7 4.6 5.7 31 -2 0 2 17.873 35.746 2.50983 143.0 49.3 48.6 5.7 32 1 -3 1 18.12 36.24 2.4767 4.1 1.4 1.4 5.7 33 2 0 1 18.307 36.614 2.45225 13.1 4.5 4.4 5.7 34 1 0 2 18.366 36.733 2.44463 11.6 4.0 3.9 5.7 35 0 4 0 18.483 36.966 2.42972 37.3 12.9 12.7 5.7 36 1 1 2 18.867 37.735 2.38198 3.4 1.2 1.2 5.7 37 1 -1 2 19.052 38.104 2.35975 32.9 11.3 11.2 5.7 38 2 1 1 19.104 38.208 2.35354 31.1 10.7 10.5 5.7 39 -1 4 0 19.327 38.653 2.32746 12.4 4.3 4.2 5.7 40 -2 3 0 19.405 38.811 2.31837 10.8 3.7 3.7 5.7 41 -1 4 1 19.499 38.999 2.30764 17.8 6.1 6.0 5.7 42 0 3 2 19.694 39.388 2.28571 7.3 2.5 2.5 5.7 43 2 -2 1 20.22 40.44 2.22866 14.1 4.9 4.8 5.7 44 0 -4 1 20.476 40.951 2.20199 62.3 21.5 21.1 5.7 45 1 4 0 20.595 41.19 2.18981 44.8 15.4 15.1 5.7 46 1 -2 2 20.825 41.649 2.16669 31.2 10.8 10.6 5.7 47 2 2 1 20.974 41.949 2.15192 12.5 4.3 4.2 5.7 48 0 -3 2 21.148 42.296 2.13506 12.8 4.4 4.3 5.7 49 -2 -2 2 21.3 42.6 2.12054 23.6 8.1 8.0 5.7 50 -1 -3 2 21.455 42.91 2.10591 57.1 19.7 19.3 5.7 51 -2 -3 1 21.502 43.005 2.10149 21.7 7.5 7.3 5.7 52 -3 0 1 21.535 43.07 2.09845 10.3 3.6 3.5 5.7 53 -1 1 3 21.702 43.405 2.08304 11.3 3.9 3.8 5.7 54 1 -4 1 21.998 43.996 2.05642 3.7 1.3 1.2 5.7 55 -2 4 1 22.284 44.568 2.03136 6.7 2.3 2.3 5.7 56 3 0 0 22.394 44.789 2.02184 30.8 10.6 10.4 5.7 57 -3 2 1 22.5 45.001 2.01281 80.2 27.6 27.0 5.7 58 0 0 3 22.544 45.088 2.0091 9.2 3.2 3.1 5.7 59 -3 -1 1 22.604 45.208 2.00406 4.9 1.7 1.6 5.7 60 2 -3 1 22.682 45.363 1.99756 5.7 2.0 1.9 5.7 61 -1 2 3 22.759 45.519 1.99109 39.1 13.5 13.2 5.7 62 -2 4 0 22.851 45.703 1.9835 26.2 9.0 8.8 5.7 63 1 3 2 23.014 46.028 1.97025 15.8 5.4 5.3 5.7 64 0 4 2 23.167 46.334 1.95795 58.1 20.0 19.5 5.7 65 -3 1 2 23.2 46.4 1.9553 12.1 4.2 4.1 5.7 66 0 5 0 23.346 46.692 1.94378 75.8 26.1 25.5 5.7 67 0 -1 3 23.376 46.752 1.9414 18.4 6.3 6.2 5.7 68 -2 0 3 23.424 46.848 1.93767 22.2 7.7 7.5 5.7 69 1 -3 2 23.483 46.966 1.93305 4.0 1.4 1.3 5.7 70 2 3 1 23.711 47.422 1.91553 13.9 4.8 4.6 5.7 71 0 2 3 23.875 47.751 1.9031 4.5 1.6 1.5 5.7 72 -1 5 0 23.911 47.823 1.9004 3.5 1.2 1.2 5.7 73 2 0 2 24.004 48.008 1.8935 58.5 20.2 19.6 5.7 74 0 5 1 24.079 48.157 1.88798 15.5 5.4 5.2 5.7 75 -2 4 2 24.307 48.613 1.87134 5.1 1.8 1.7 5.7 76 2 -1 2 24.425 48.85 1.86282 3.6 1.2 1.2 5.7 77 -3 -1 2 24.455 48.91 1.86069 11.4 3.9 3.8 5.7 78 -2 -1 3 24.503 49.006 1.85726 6.8 2.4 2.3 5.7 79 -1 -2 3 24.605 49.21 1.85003 4.3 1.5 1.5 5.7 80 0 -5 1 25.125 50.25 1.81414 25.9 8.9 8.7 5.8 81 -3 3 0 25.527 51.053 1.78748 12.7 4.4 4.3 5.8 82 1 0 3 25.831 51.663 1.76781 3.6 1.2 1.2 5.8 83 3 -1 1 25.882 51.765 1.76458 14.2 4.9 4.7 5.8 84 0 3 3 25.921 51.842 1.76213 13.9 4.8 4.6 5.8 85 1 1 3 26.116 52.232 1.74989 3.8 1.3 1.3 5.8 86 -1 -5 1 26.305 52.609 1.73822 13.1 4.5 4.4 5.8 87 -3 -2 2 26.444 52.888 1.72972 15.0 5.2 5.0 5.8 88 -3 1 3 27.186 54.372 1.68597 15.2 5.2 5.1 5.8 89 -1 -3 3 27.323 54.646 1.67815 5.8 2.0 1.9 5.8 90 -3 0 3 27.41 54.82 1.67322 5.9 2.0 2.0 5.8 91 0 -3 3 27.692 55.385 1.65749 35.7 12.3 11.9 5.8 92 3 3 0 27.81 55.62 1.65106 43.9 15.1 14.6 5.8 93 -3 2 3 27.841 55.682 1.64935 3.4 1.2 1.1 5.8 94 2 3 2 28.274 56.548 1.62614 7.2 2.5 2.4 5.8 95 0 6 0 28.394 56.788 1.61982 4.8 1.7 1.6 5.8 96 -3 -1 3 28.5 57.001 1.61429 7.8 2.7 2.6 5.8 97 -1 6 1 28.708 57.416 1.60359 10.1 3.5 3.3 5.8 98 -1 6 0 28.768 57.535 1.60055 5.2 1.8 1.7 5.8 99 -4 1 1 29.1 58.199 1.58386 31.8 10.9 10.5 5.8 100 -3 -3 2 29.187 58.374 1.57955 3.4 1.2 1.1 5.8 101 -4 0 1 29.248 58.496 1.57654 3.3 1.1 1.1 5.8 102 2 5 0 29.287 58.574 1.57462 11.0 3.8 3.6 5.8 103 -3 3 3 29.337 58.673 1.5722 34.3 11.8 11.4 5.8 104 -1 1 4 29.386 58.772 1.5698 27.0 9.3 8.9 5.8 105 2 -5 1 29.659 59.318 1.55663 35.8 12.3 11.8 5.8 106 -4 1 2 29.9 59.799 1.54525 4.5 1.6 1.5 5.8 107 1 5 2 30.091 60.181 1.53636 29.6 10.2 9.8 5.8 108 -4 -1 1 30.23 60.46 1.52993 13.3 4.6 4.4 5.8 109 -1 -1 4 30.355 60.71 1.52423 7.4 2.6 2.5 5.8 110 -3 5 1 30.542 61.084 1.5158 13.0 4.5 4.3 5.8 111 -2 6 1 30.628 61.256 1.51195 25.4 8.7 8.4 5.8 112 -1 -4 3 30.695 61.39 1.50896 15.1 5.2 5.0 5.8 113 1 -5 2 30.74 61.48 1.50697 4.9 1.7 1.6 5.8 114 -3 -4 1 30.793 61.586 1.50463 22.3 7.7 7.3 5.8 115 -1 5 3 30.905 61.81 1.49971 7.7 2.7 2.5 5.8 116 2 0 3 30.981 61.962 1.49639 13.6 4.7 4.5 5.8 117 -4 -1 2 31.191 62.383 1.48732 5.0 1.7 1.7 5.8 118 -2 -1 4 31.3 62.599 1.48269 6.4 2.2 2.1 5.8 119 2 1 3 31.349 62.698 1.4806 3.5 1.2 1.1 5.8 120 2 -1 3 31.426 62.852 1.47734 14.5 5.0 4.8 5.9 121 3 1 2 31.486 62.973 1.4748 22.5 7.7 7.4 5.9 122 0 6 2 31.62 63.24 1.46921 10.7 3.7 3.5 5.9 123 0 2 4 31.653 63.306 1.46784 5.7 1.9 1.9 5.9 124 -4 -2 1 32.0 64.0 1.45358 3.0 1.0 1.0 5.9 125 -1 -2 4 32.046 64.092 1.45171 11.2 3.9 3.7 5.9 126 -2 6 2 32.103 64.206 1.44942 5.2 1.8 1.7 5.9 127 -2 3 4 32.191 64.383 1.44586 5.3 1.8 1.7 5.9 128 2 -2 3 32.664 65.329 1.42719 7.5 2.6 2.4 5.9 129 3 2 2 32.847 65.694 1.42014 3.1 1.1 1.0 5.9 130 -3 1 4 32.894 65.788 1.41833 6.3 2.2 2.1 5.9 131 -2 -2 4 33.075 66.149 1.41147 5.2 1.8 1.7 5.9 132 -4 2 3 33.255 66.511 1.40467 9.6 3.3 3.1 5.9 133 -3 2 4 33.394 66.788 1.39951 7.2 2.5 2.3 5.9 134 0 -6 2 33.713 67.425 1.38782 12.7 4.4 4.1 5.9 135 4 0 1 33.834 67.669 1.38342 4.8 1.7 1.6 5.9 136 2 6 0 33.954 67.907 1.37914 11.7 4.0 3.8 5.9 137 -4 4 2 34.025 68.051 1.37658 6.4 2.2 2.1 5.9 138 -4 -1 3 34.18 68.36 1.3711 3.0 1.0 1.0 5.9 139 -3 -1 4 34.244 68.489 1.36884 6.7 2.3 2.2 5.9 140 -2 4 4 34.371 68.741 1.36443 6.1 2.1 2.0 5.9 141 2 3 3 34.433 68.865 1.36228 3.0 1.0 1.0 5.9 142 4 1 1 34.574 69.148 1.3574 5.5 1.9 1.8 5.9 143 -3 3 4 34.664 69.327 1.35432 11.0 3.8 3.6 5.9 144 2 5 2 34.845 69.69 1.34815 8.2 2.8 2.7 5.9 145 1 -6 2 35.144 70.288 1.33814 3.6 1.2 1.2 5.9 146 0 -7 1 35.293 70.586 1.33322 7.9 2.7 2.5 5.9 147 -4 -3 2 35.56 71.12 1.32452 27.9 9.6 9.0 5.9 148 -3 6 0 35.628 71.255 1.32234 7.6 2.6 2.5 5.9 149 -3 -2 4 36.052 72.105 1.30884 4.5 1.6 1.5 5.9 150 0 6 3 36.165 72.331 1.3053 9.9 3.4 3.2 5.9 151 1 7 1 36.386 72.772 1.29846 4.8 1.7 1.5 6.0 152 1 -5 3 36.796 73.591 1.28602 5.4 1.9 1.7 6.0 153 2 -4 3 37.338 74.677 1.27 9.9 3.4 3.2 6.0 154 3 0 3 37.604 75.208 1.26233 21.0 7.2 6.8 6.0 155 3 4 2 37.743 75.487 1.25837 11.6 4.0 3.7 6.0 156 -5 0 2 38.021 76.042 1.25056 7.7 2.7 2.5 6.0 157 -3 6 3 38.129 76.257 1.24756 27.1 9.3 8.7 6.0 158 4 3 1 38.275 76.551 1.24351 3.5 1.2 1.1 6.0 159 4 4 0 38.466 76.932 1.23829 3.1 1.1 1.0 6.0 160 2 -7 1 38.721 77.442 1.23141 5.4 1.9 1.7 6.0 161 -4 3 4 38.962 77.924 1.22498 3.6 1.2 1.2 6.0 162 2 6 2 39.017 78.034 1.22354 3.7 1.3 1.2 6.0 163 -5 -1 2 39.074 78.149 1.22203 4.8 1.7 1.5 6.0 164 0 -6 3 39.115 78.231 1.22095 4.7 1.6 1.5 6.0 165 -4 5 3 39.166 78.331 1.21964 6.2 2.1 2.0 6.0 166 1 7 2 39.24 78.48 1.2177 7.2 2.5 2.3 6.0 167 -5 3 1 39.273 78.546 1.21684 16.5 5.7 5.3 6.0 168 5 0 0 39.418 78.835 1.2131 7.7 2.6 2.5 6.0 169 0 0 5 39.717 79.434 1.20546 3.8 1.3 1.2 6.0 170 -2 7 3 39.928 79.855 1.20015 3.6 1.3 1.2 6.0 171 1 -7 2 40.048 80.096 1.19714 8.4 2.9 2.7 6.0 172 5 1 0 40.3 80.6 1.19092 7.0 2.4 2.2 6.1 173 -3 0 5 40.384 80.767 1.18888 4.0 1.4 1.3 6.1 174 0 -1 5 40.484 80.968 1.18644 6.5 2.2 2.1 6.1 175 2 -5 3 40.686 81.373 1.18156 10.1 3.5 3.2 6.1 176 0 7 3 40.73 81.46 1.18051 3.7 1.3 1.2 6.1 177 -4 -2 4 40.811 81.622 1.17857 18.3 6.3 5.8 6.1 178 -5 4 2 41.168 82.337 1.17015 7.2 2.5 2.3 6.1 179 4 -3 2 41.449 82.899 1.16364 3.1 1.1 1.0 6.1 180 -1 -8 1 42.178 84.356 1.14721 15.8 5.4 5.0 6.1 181 -5 -3 1 42.836 85.672 1.13293 4.4 1.5 1.4 6.1 182 1 0 5 43.223 86.446 1.12476 3.8 1.3 1.2 6.1 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) |