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 *** *********************** OHMILITE 1, DN Sr(3)(Ti,Fe)(O,OH)[Si(2)O(6)](2).[H(2)O] Monoclinic P 2(1)/m Z = 2 R =0.059 NR =2121 9 .10 .1990 Ref.Str.: Mizota T., Komatsu M., Chihara K. (1983) * Amer. Mineral., 68, 811-817 Reserv: See U(jj) in the original. [H(2)O = 2-3 H(2)O] Initial data from BDM-file Lattice parameters (cub. angs.,degr.): a = 10.979 alpha = 90.0 b = 7.799 beta = 100.9 c = 7.818 gamma = 90.0 Unit cell volume (cub. angs.) = 657.34 Molar volume ( cub.cm/mol.) = 197.97 Co-ordinates, thermal parameters, occupation for atomic positions: NoP x/a y/b z/c B(j) atom / occupation 1 0.1107 0.25 0.3523 0.0 Sr = 0.5 , Sr = 0.0 2 0.4164 0.25 0.7175 0.0 Sr = 0.5 , Sr = 0.0 3 0.2667 0.75 0.3916 0.0 Sr = 0.5 , Sr = 0.0 4 0.0 0.0 0.0 0.0 Ti = 0.5 , Ti = 0.0 5 0.2989 0.4532 0.116 0.0 Si = 1.00 6 0.2054 0.547 0.7418 0.0 Si = 1.00 7 0.0278 0.25 0.0033 0.0 O = 0.5 , O = 0.0 8 0.1669 0.5289 0.1486 0.0 O = 1.00 9 0.0665 0.5267 0.7762 0.0 O = 1.00 10 0.2972 0.25 0.1691 0.0 O = 0.5 , O = 0.0 11 0.2417 0.75 0.7344 0.0 O = 0.5 , O = 0.0 12 0.4108 0.5446 0.241 0.0 O = 1.00 13 0.2337 0.4572 0.5698 0.0 O = 1.00 14 0.3039 0.461 0.907 0.0 O = 1.00 15 0.0283 0.75 0.4096 0.0 H(2)O = 0.5 , H(2)O = 0.0 16 0.5077 0.25 0.4323 0.0 H(2)O = 0.5 , H(2)O = 0.0 17 0.521 0.25 0.029 0.0 H(2)O = 0.14, H(2)O = 0.0 Co-ordinates for all atomic positions : No NoP x/a y/b z/c 1 1 0.1107 0.25 0.3523 2 2 0.4164 0.25 0.7175 3 3 0.2667 0.75 0.3916 4 4 0.0 0.0 0.0 5 5 0.2989 0.4532 0.116 6 6 0.2054 0.547 0.7418 7 7 0.0278 0.25 0.0033 8 8 0.1669 0.5289 0.1486 9 9 0.0665 0.5267 0.7762 10 10 0.2972 0.25 0.1691 11 11 0.2417 0.75 0.7344 12 12 0.4108 0.5446 0.241 13 13 0.2337 0.4572 0.5698 14 14 0.3039 0.461 0.907 15 15 0.0283 0.75 0.4096 16 16 0.5077 0.25 0.4323 17 17 0.521 0.25 0.029 18 1 0.8893 0.75 0.6477 19 2 0.5836 0.75 0.2825 20 3 0.7333 0.25 0.6084 21 4 0.0 0.5 0.0 22 5 0.7011 0.9532 0.884 23 6 0.7946 0.047 0.2582 24 7 0.9722 0.75 0.9967 25 8 0.8331 0.0289 0.8514 26 9 0.9335 0.0267 0.2238 27 10 0.7028 0.75 0.8309 28 11 0.7583 0.25 0.2656 29 12 0.5892 0.0446 0.759 30 13 0.7663 0.9572 0.4302 31 14 0.6961 0.961 0.093 32 15 0.9717 0.25 0.5904 33 16 0.4923 0.75 0.5677 34 17 0.479 0.75 0.971 35 5 0.2989 0.0468 0.116 36 6 0.2054 0.953 0.7418 37 8 0.1669 0.9711 0.1486 38 9 0.0665 0.9733 0.7762 39 12 0.4108 0.9554 0.241 40 13 0.2337 0.0428 0.5698 41 14 0.3039 0.039 0.907 42 5 0.7011 0.5468 0.884 43 6 0.7946 0.453 0.2582 44 8 0.8331 0.4711 0.8514 45 9 0.9335 0.4733 0.2238 46 12 0.5892 0.4554 0.759 47 13 0.7663 0.5428 0.4302 48 14 0.6961 0.539 0.093 X-ray density (g/cm cub.) = 2.38 MU (1/cm) = 234.702 Mass attenuation coefficient (cm**2/g) = 98.412 Selected interatomic distances (cation-anion,anion-anion): NoP Atom Rad.sph. C.N. Distance NoP N. (angs.) (angs.) 1 Sr ,Sr 3.24 9 2.7081 7 2.8319 8 2.7117 10 2.5412 13 2.6623 9 2.6207 15 2.8319 8 2.5412 13 2.6623 9 2 Sr ,Sr 3.24 8 2.6631 13 2.6684 14 2.6118 16 2.4883 17 2.4572 12 2.6631 13 2.6684 14 2.4572 12 3 Sr ,Sr 3.24 9 2.645 8 2.7452 11 2.6758 12 2.7345 13 2.6476 15 2.5963 16 2.645 8 2.6758 12 2.7345 13 4 Ti ,Ti 2.736 6 1.9729 7 1.9729 7 1.9882 8 2.03 9 1.9882 8 2.03 9 5 Si 2.268 4 1.6289 8 1.6392 10 1.587 12 1.6463 14 6 Si 2.268 4 1.6056 9 1.6363 11 1.5979 13 1.6611 14 7 O ,O 3.432 10 2.7745 8 2.8766 9 2.9964 10 2.8272 8 2.7841 9 3.1698 15 2.7745 8 2.8766 9 2.8272 8 2.7841 9 8 O 3.432 9 2.7745 7 2.9117 9 2.5917 10 2.6412 12 3.2834 13 2.6805 14 3.2599 15 2.8272 7 2.7694 9 9 O 3.432 9 2.8766 7 2.9117 8 2.6603 11 2.718 13 2.6634 14 3.3119 15 2.7841 7 2.6979 15 2.7694 8 10 O ,O 3.432 9 2.9964 7 2.5917 8 2.624 12 2.6399 14 2.7887 16 2.8731 17 2.5917 8 2.624 12 2.6399 14 11 O ,O 3.432 9 2.6603 9 2.6145 13 2.6493 14 3.1124 15 3.2595 16 2.896 17 2.6603 9 2.6145 13 2.6493 14 12 O 3.432 8 2.6412 8 2.624 10 2.7317 14 2.8365 16 3.2013 17 3.0043 16 2.8601 17 3.2038 12 13 O 3.432 7 3.2834 8 2.718 9 2.6145 11 2.6031 14 3.2864 15 3.3297 15 3.2319 13 14 O 3.432 9 2.6805 8 2.6634 9 2.6399 10 2.6493 11 2.7317 12 2.6031 13 2.905 17 2.9432 17 3.2912 14 15 H(2)O,H(2)O 3.6 12 3.2599 8 3.3119 9 3.1124 11 3.2864 13 3.1698 7 2.6979 9 3.3297 13 3.2599 8 3.3119 9 3.2864 13 2.6979 9 3.3297 13 16 H(2)O,H(2)O 3.6 7 2.7887 10 2.8365 12 3.1838 17 3.2595 11 3.0043 12 2.8365 12 3.0043 12 17 H(2)O,H(2)O 3.6 11 2.8731 10 3.2013 12 2.905 14 3.1838 16 2.896 11 2.8601 12 2.9432 14 3.2013 12 2.905 14 2.8601 12 2.9432 14 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 4.759 9.518 0.046 287.57 2 26.5 93.5 2 0 0 1 6.691 13.382 0.065 144.37 2 22.0 32.4 3 1 0 -1 7.448 14.896 0.072 116.07 2 8.9 4.2 4 1 1 0 8.138 16.275 0.079 96.87 4 7.8 5.4 5 1 0 1 8.934 17.867 0.087 80.0 2 4.0 0.6 6 0 1 1 9.409 18.819 0.091 71.9 4 5.7 2.2 7 2 0 0 9.551 19.103 0.093 69.71 2 97.3 305.3 8 1 1 -1 9.967 19.934 0.097 63.85 4 32.9 64.0 9 2 0 -1 10.594 21.187 0.103 56.27 2 7.2 1.3 10 1 1 1 11.131 22.262 0.108 50.77 4 76.6 276.0 11 2 1 0 11.637 23.274 0.113 46.27 4 11.3 5.5 12 2 1 -1 12.514 25.028 0.121 39.73 4 15.9 9.3 13 2 0 1 12.712 25.424 0.123 38.44 2 20.3 7.3 14 0 2 0 13.26 26.521 0.128 35.16 2 80.4 105.2 15 1 0 -2 13.421 26.842 0.13 34.28 2 45.5 32.9 16 0 0 2 13.475 26.95 0.13 33.98 2 81.3 103.9 17 1 2 0 14.118 28.236 0.136 30.78 4 31.6 28.4 18 2 1 1 14.368 28.735 0.139 29.65 4 42.1 48.6 19 3 0 0 14.412 28.825 0.139 29.46 2 21.0 6.0 20 3 0 -1 14.719 29.439 0.142 28.16 2 73.9 71.1 21 0 2 1 14.908 29.817 0.144 27.4 4 113.8 328.4 22 1 1 -2 15.004 30.009 0.145 27.03 4 34.4 29.7 23 2 0 -2 15.026 30.051 0.145 26.95 2 28.1 9.8 24 0 1 2 15.053 30.107 0.145 26.84 4 26.5 17.4 25 1 0 2 15.172 30.344 0.146 26.39 2 3.4 0.1 26 1 2 -1 15.276 30.552 0.147 26.01 4 21.8 11.4 27 3 1 0 15.906 31.811 0.153 23.84 4 70.9 110.8 28 1 2 1 16.081 32.162 0.155 23.28 4 46.8 47.3 29 3 1 -1 16.187 32.374 0.156 22.96 4 25.2 13.5 30 2 2 0 16.446 32.891 0.158 22.18 4 65.0 86.9 31 2 1 -2 16.468 32.937 0.158 22.12 4 63.5 82.5 32 1 1 2 16.603 33.207 0.16 21.73 4 28.7 16.5 33 2 2 -1 17.095 34.19 0.164 20.39 4 105.3 209.4 34 3 0 1 17.104 34.207 0.164 20.37 2 57.9 31.7 35 3 0 -2 17.885 35.77 0.172 18.48 2 28.7 7.0 36 2 0 2 18.094 36.188 0.174 18.01 2 32.9 9.0 37 3 1 1 18.401 36.803 0.176 17.36 4 66.9 72.0 38 2 2 1 18.534 37.067 0.178 17.09 4 75.3 89.6 39 1 2 -2 19.046 38.091 0.182 16.09 4 65.1 63.0 40 0 2 2 19.085 38.171 0.183 16.01 4 13.5 2.7 41 3 1 -2 19.137 38.274 0.183 15.92 4 81.6 98.2 42 4 0 -1 19.286 38.572 0.185 15.65 2 43.5 13.7 43 2 1 2 19.334 38.668 0.185 15.56 4 12.3 2.2 44 4 0 0 19.382 38.764 0.186 15.48 2 53.0 20.1 45 3 2 0 19.784 39.568 0.189 14.79 4 15.8 3.4 46 3 2 -1 20.017 40.035 0.191 14.41 4 81.3 88.2 47 1 0 -3 20.099 40.198 0.192 14.28 2 101.2 67.7 48 2 2 -2 20.253 40.505 0.194 14.04 4 49.6 32.0 49 1 2 2 20.366 40.731 0.195 13.87 4 105.4 142.6 50 0 0 3 20.459 40.918 0.195 13.72 2 15.1 1.4 51 4 1 -1 20.465 40.929 0.195 13.72 4 41.1 21.4 52 4 1 0 20.556 41.112 0.196 13.58 4 9.1 1.0 53 1 3 0 20.728 41.456 0.198 13.33 4 3.0 0.1 54 2 0 -3 20.944 41.888 0.2 13.02 2 88.4 47.2 55 1 1 -3 21.24 42.48 0.203 12.62 4 36.4 15.5 56 0 3 1 21.301 42.601 0.203 12.54 4 33.2 12.8 57 1 3 -1 21.572 43.145 0.206 12.19 4 14.9 2.5 58 4 0 -2 21.573 43.145 0.206 12.19 2 12.8 0.9 59 0 1 3 21.584 43.169 0.206 12.17 4 7.8 0.7 60 3 0 2 21.823 43.645 0.208 11.88 2 81.2 36.2 61 4 0 1 21.835 43.67 0.208 11.86 2 46.4 11.8 62 3 2 1 21.899 43.798 0.208 11.78 4 7.6 0.6 63 1 0 3 21.975 43.95 0.209 11.69 2 56.3 17.2 64 2 1 -3 22.049 44.099 0.21 11.6 4 32.2 11.1 65 1 3 1 22.178 44.356 0.211 11.45 4 16.6 2.9 66 2 3 0 22.457 44.914 0.214 11.13 4 48.0 23.7 67 3 2 -2 22.539 45.078 0.214 11.04 4 2.2 0.0 68 4 1 -2 22.653 45.307 0.215 10.92 4 48.8 24.1 69 2 2 2 22.712 45.424 0.216 10.85 4 38.4 14.8 70 3 0 -3 22.885 45.769 0.217 10.67 2 9.7 0.5 71 3 1 2 22.894 45.788 0.217 10.66 4 7.7 0.6 72 4 1 1 22.906 45.811 0.218 10.65 4 23.9 5.6 73 2 3 -1 22.961 45.922 0.218 10.59 4 8.9 0.8 74 1 1 3 23.041 46.081 0.219 10.51 4 32.6 10.3 75 4 2 -1 23.711 47.422 0.225 9.85 4 46.7 19.9 76 4 2 0 23.792 47.585 0.226 9.77 4 30.7 8.5 77 3 1 -3 23.918 47.837 0.227 9.65 4 77.3 53.3 78 2 3 1 24.105 48.211 0.228 9.48 4 34.6 10.5 79 5 0 -1 24.15 48.3 0.229 9.44 2 56.2 13.8 80 1 2 -3 24.404 48.808 0.231 9.22 4 31.7 8.6 81 2 0 3 24.475 48.951 0.232 9.16 2 10.0 0.4 82 5 0 0 24.509 49.018 0.232 9.13 2 4.0 0.1 83 1 3 -2 24.522 49.043 0.232 9.12 4 58.1 28.5 84 0 3 2 24.554 49.108 0.232 9.1 4 1.5 0.0 85 0 2 3 24.713 49.427 0.234 8.96 4 93.3 72.2 86 3 3 0 25.129 50.258 0.237 8.63 4 123.6 122.1 87 2 2 -3 25.133 50.266 0.237 8.63 4 80.1 51.2 88 5 1 -1 25.144 50.288 0.238 8.62 4 73.9 43.5 89 3 3 -1 25.323 50.645 0.239 8.48 4 11.5 1.0 90 2 1 3 25.46 50.92 0.24 8.38 4 80.4 50.1 91 5 1 0 25.493 50.985 0.241 8.35 4 25.3 4.9 92 2 3 -2 25.519 51.037 0.241 8.33 4 24.4 4.6 93 1 3 2 25.613 51.226 0.242 8.26 4 101.2 78.3 94 4 2 -2 25.681 51.362 0.242 8.21 4 11.0 0.9 95 4 0 -3 25.728 51.456 0.243 8.18 2 7.6 0.2 96 5 0 -2 25.83 51.659 0.244 8.1 2 68.8 17.8 97 3 2 2 25.9 51.801 0.244 8.05 4 70.3 36.8 98 4 2 1 25.911 51.822 0.244 8.05 4 59.0 25.9 99 1 2 3 26.034 52.069 0.245 7.96 4 20.8 3.2 100 4 0 2 26.11 52.22 0.246 7.91 2 107.3 42.2 101 4 1 -3 26.679 53.358 0.251 7.53 4 38.2 10.1 102 5 1 -2 26.778 53.556 0.252 7.47 4 17.2 2.1 103 3 2 -3 26.839 53.678 0.252 7.43 4 2.2 0.0 104 5 0 1 26.846 53.693 0.252 7.42 2 32.8 3.7 105 3 3 1 26.913 53.825 0.253 7.38 4 46.2 14.6 106 4 1 2 27.052 54.103 0.254 7.29 4 59.4 23.8 107 1 0 -4 27.237 54.474 0.256 7.18 2 19.4 1.2 108 0 4 0 27.307 54.614 0.256 7.14 2 205.3 139.4 109 3 3 -2 27.464 54.928 0.258 7.05 4 31.5 6.5 110 2 3 2 27.614 55.227 0.259 6.96 4 0.8 0.0 111 2 0 -4 27.659 55.318 0.259 6.94 2 123.4 48.9 112 3 0 3 27.766 55.532 0.26 6.88 2 10.7 0.4 113 5 1 1 27.771 55.542 0.26 6.87 4 19.1 2.3 114 0 0 4 27.778 55.556 0.261 6.87 2 9.7 0.3 115 1 4 0 27.788 55.576 0.261 6.86 4 21.3 2.9 116 5 2 -1 27.972 55.944 0.262 6.76 4 69.8 30.5 117 1 1 -4 28.153 56.305 0.264 6.66 4 45.3 12.7 118 0 4 1 28.25 56.5 0.265 6.61 4 8.5 0.4 119 2 2 3 28.266 56.531 0.265 6.6 4 26.3 4.2 120 5 2 0 28.296 56.592 0.265 6.59 4 38.8 9.2 121 1 4 -1 28.471 56.943 0.266 6.5 4 22.7 3.1 122 4 3 -1 28.486 56.971 0.267 6.49 4 17.3 1.8 123 4 3 0 28.557 57.114 0.267 6.45 4 84.3 42.4 124 2 1 -4 28.566 57.131 0.267 6.45 4 9.4 0.5 125 3 1 3 28.671 57.341 0.268 6.39 4 56.0 18.6 126 0 1 4 28.682 57.365 0.268 6.39 4 10.7 0.7 127 1 4 1 28.968 57.937 0.271 6.25 4 1.6 0.0 128 3 0 -4 29.016 58.033 0.271 6.22 2 20.6 1.2 129 1 3 -3 29.097 58.194 0.272 6.18 4 7.9 0.4 130 2 4 0 29.199 58.398 0.273 6.14 4 20.1 2.3 131 1 0 4 29.247 58.494 0.273 6.11 2 16.8 0.8 132 5 0 -3 29.295 58.591 0.274 6.09 2 55.9 8.8 133 6 0 -1 29.297 58.593 0.274 6.09 2 12.3 0.4 134 0 3 3 29.371 58.743 0.274 6.05 4 30.1 5.1 135 4 2 -3 29.405 58.809 0.274 6.04 4 45.1 11.4 136 5 2 -2 29.498 58.995 0.275 6.0 4 5.6 0.2 137 2 4 -1 29.618 59.237 0.276 5.94 4 38.3 8.0 138 2 3 -3 29.745 59.49 0.277 5.88 4 11.5 0.7 139 4 2 2 29.754 59.509 0.277 5.88 4 15.5 1.3 140 6 0 0 29.855 59.709 0.278 5.84 2 49.5 6.6 141 3 1 -4 29.896 59.793 0.279 5.82 4 1.8 0.0 142 1 1 4 30.123 60.246 0.281 5.72 4 25.9 3.6 143 5 1 -3 30.17 60.341 0.281 5.7 4 16.3 1.4 144 6 1 -1 30.172 60.343 0.281 5.7 4 35.7 6.7 145 4 3 -2 30.236 60.472 0.281 5.67 4 15.6 1.3 146 5 2 1 30.432 60.864 0.283 5.59 4 24.4 3.1 147 3 3 2 30.433 60.866 0.283 5.59 4 9.0 0.4 148 4 3 1 30.442 60.885 0.283 5.59 4 58.3 17.6 149 6 0 -2 30.542 61.084 0.284 5.55 2 83.8 18.0 150 1 3 3 30.553 61.107 0.284 5.54 4 31.9 5.2 151 2 4 1 30.584 61.168 0.284 5.53 4 5.3 0.1 152 6 1 0 30.72 61.44 0.286 5.48 4 33.3 5.6 153 1 2 -4 30.793 61.585 0.286 5.45 4 69.9 24.6 154 5 0 2 30.849 61.699 0.287 5.43 2 37.1 3.5 155 1 4 -2 30.939 61.879 0.287 5.39 4 6.7 0.2 156 0 4 2 30.967 61.934 0.288 5.38 4 35.1 6.1 157 2 2 -4 31.184 62.368 0.289 5.3 4 11.5 0.6 158 4 0 -4 31.232 62.464 0.29 5.28 2 28.8 2.0 159 3 3 -3 31.281 62.562 0.29 5.26 4 83.0 33.5 160 3 2 3 31.284 62.567 0.29 5.26 4 32.3 5.1 161 0 2 4 31.295 62.589 0.29 5.26 4 38.3 7.1 162 6 1 -2 31.396 62.792 0.291 5.22 4 50.4 12.3 163 3 4 0 31.462 62.923 0.292 5.2 4 12.0 0.7 164 2 0 4 31.563 63.126 0.293 5.16 2 35.8 3.1 165 3 4 -1 31.629 63.258 0.293 5.14 4 13.6 0.9 166 5 1 2 31.699 63.397 0.294 5.11 4 11.0 0.6 167 4 0 3 31.704 63.408 0.294 5.11 2 8.0 0.2 168 2 4 -2 31.799 63.598 0.295 5.08 4 23.1 2.5 169 1 4 2 31.881 63.762 0.295 5.05 4 30.9 4.5 170 4 1 -4 32.075 64.151 0.297 4.98 4 22.2 2.3 171 6 0 1 32.159 64.319 0.298 4.95 2 158.3 57.5 172 5 3 -1 32.315 64.63 0.299 4.9 4 65.2 19.3 173 2 1 4 32.402 64.803 0.3 4.87 4 54.8 13.6 174 3 2 -4 32.45 64.9 0.3 4.86 4 28.0 3.5 175 4 1 3 32.541 65.082 0.301 4.83 4 66.8 19.9 176 2 3 3 32.584 65.169 0.301 4.81 4 15.7 1.1 177 5 3 0 32.612 65.225 0.301 4.8 4 25.3 2.9 178 1 2 4 32.666 65.332 0.302 4.79 4 37.2 6.1 179 5 2 -3 32.711 65.423 0.302 4.77 4 1.2 0.0 180 6 2 -1 32.713 65.425 0.302 4.77 4 4.5 0.1 181 6 1 1 32.99 65.98 0.304 4.69 4 22.5 2.2 182 3 4 1 33.02 66.04 0.305 4.68 4 45.3 8.9 183 6 2 0 33.237 66.474 0.306 4.61 4 61.9 16.4 184 6 0 -3 33.472 66.943 0.308 4.55 2 30.3 1.9 185 3 4 -2 33.509 67.017 0.309 4.54 4 24.7 2.6 186 4 3 -3 33.636 67.272 0.31 4.5 4 26.1 2.8 187 2 4 2 33.642 67.284 0.31 4.5 4 27.0 3.0 188 5 3 -2 33.722 67.445 0.31 4.47 4 68.6 19.5 189 6 2 -2 33.886 67.772 0.312 4.43 4 43.0 7.6 190 4 3 2 33.961 67.922 0.312 4.41 4 61.5 15.5 191 5 2 2 34.177 68.354 0.314 4.35 4 16.3 1.1 192 5 0 -4 34.214 68.429 0.314 4.34 2 139.5 39.1 193 6 1 -3 34.286 68.572 0.315 4.32 4 0.1 0.0 194 4 4 -1 34.422 68.844 0.316 4.29 4 35.0 4.9 195 4 4 0 34.486 68.973 0.317 4.27 4 22.2 2.0 196 4 2 -4 34.539 69.079 0.317 4.26 4 16.3 1.0 197 5 3 1 34.593 69.185 0.317 4.24 4 0.3 0.0 198 3 0 4 34.635 69.271 0.318 4.23 2 25.9 1.3 199 7 0 -1 34.773 69.546 0.319 4.2 2 22.4 1.0 200 2 2 4 34.854 69.708 0.319 4.18 4 41.4 6.6 201 1 3 -4 34.93 69.86 0.32 4.16 4 38.0 5.6 202 1 0 -5 34.939 69.877 0.32 4.16 2 52.8 5.4 203 1 4 -3 34.973 69.946 0.32 4.15 4 68.5 18.0 204 4 2 3 34.988 69.976 0.321 4.15 4 20.4 1.6 205 5 1 -4 35.021 70.041 0.321 4.14 4 46.9 8.4 206 2 0 -5 35.083 70.166 0.321 4.12 2 20.8 0.8 207 0 4 3 35.222 70.444 0.322 4.09 4 37.2 5.2 208 2 3 -4 35.297 70.594 0.323 4.07 4 56.2 11.9 209 3 3 3 35.391 70.781 0.324 4.05 4 17.9 1.2 210 0 3 4 35.401 70.802 0.324 4.05 4 12.8 0.6 211 1 5 0 35.409 70.819 0.324 4.05 4 8.2 0.3 212 6 2 1 35.422 70.844 0.324 4.05 4 27.9 2.9 213 3 1 4 35.437 70.874 0.324 4.04 4 13.7 0.7 214 7 0 0 35.505 71.009 0.325 4.03 2 56.1 5.9 215 2 4 -3 35.562 71.123 0.325 4.01 4 36.6 5.0 216 7 1 -1 35.574 71.147 0.325 4.01 4 57.2 12.1 217 0 0 5 35.631 71.262 0.326 4.0 2 0.2 0.0 218 7 0 -2 35.693 71.387 0.326 3.99 2 70.1 9.1 219 1 1 -5 35.737 71.474 0.326 3.98 4 35.4 4.6 220 0 5 1 35.814 71.629 0.327 3.96 4 12.0 0.5 221 2 1 -5 35.88 71.761 0.328 3.94 4 49.7 9.0 222 1 5 -1 36.009 72.018 0.329 3.92 4 30.5 3.4 223 4 4 -2 36.009 72.019 0.329 3.92 4 5.6 0.1 224 6 0 2 36.029 72.058 0.329 3.91 2 39.1 2.8 225 3 0 -5 36.06 72.121 0.329 3.91 2 22.4 0.9 226 3 4 2 36.19 72.379 0.33 3.88 4 32.2 3.7 227 4 4 1 36.199 72.397 0.33 3.88 4 26.4 2.5 228 5 0 3 36.217 72.434 0.33 3.87 2 6.9 0.1 229 7 1 0 36.298 72.596 0.331 3.86 4 14.4 0.7 230 1 4 3 36.3 72.601 0.331 3.86 4 36.0 4.6 231 0 1 5 36.423 72.846 0.332 3.83 4 26.8 2.5 232 1 5 1 36.448 72.897 0.332 3.83 4 80.3 22.8 233 7 1 -2 36.485 72.97 0.332 3.82 4 9.5 0.3 234 3 3 -4 36.491 72.982 0.332 3.82 4 48.4 8.3 235 2 5 0 36.653 73.306 0.334 3.79 4 39.4 5.4 236 6 2 -3 36.678 73.356 0.334 3.78 4 68.0 16.2 237 1 3 4 36.696 73.392 0.334 3.78 4 102.4 36.7 238 5 3 -3 36.739 73.478 0.334 3.77 4 44.3 6.8 239 6 3 -1 36.74 73.48 0.334 3.77 4 18.1 1.1 240 6 1 2 36.818 73.636 0.335 3.75 4 4.6 0.1 241 3 1 -5 36.849 73.698 0.335 3.75 4 5.4 0.1 242 3 4 -3 36.97 73.941 0.336 3.73 4 10.9 0.4 243 5 1 3 37.004 74.009 0.336 3.72 4 8.3 0.2 244 2 5 -1 37.027 74.054 0.337 3.71 4 16.0 0.9 245 1 0 5 37.141 74.281 0.338 3.69 2 152.4 39.7 246 6 3 0 37.239 74.477 0.338 3.68 4 47.3 7.6 247 5 2 -4 37.393 74.786 0.339 3.65 4 70.7 16.9 248 3 2 4 37.799 75.598 0.343 3.58 4 13.3 0.6 249 4 0 -5 37.844 75.688 0.343 3.57 2 44.2 3.2 250 7 0 1 37.847 75.695 0.343 3.57 2 54.4 4.9 251 6 3 -2 37.857 75.714 0.343 3.57 4 8.8 0.3 252 2 5 1 37.895 75.79 0.343 3.56 4 66.6 14.6 253 6 0 -4 37.895 75.791 0.343 3.56 2 17.3 0.5 254 1 1 5 37.921 75.841 0.344 3.56 4 38.7 4.9 255 5 4 -1 37.929 75.858 0.344 3.56 4 10.0 0.3 256 7 2 -1 37.932 75.864 0.344 3.56 4 69.9 16.1 257 1 2 -5 38.092 76.184 0.345 3.53 4 15.9 0.8 258 5 3 2 38.135 76.27 0.345 3.52 4 13.1 0.6 259 2 4 3 38.181 76.362 0.346 3.51 4 16.9 0.9 260 5 4 0 38.207 76.414 0.346 3.51 4 3.3 0.0 261 7 0 -3 38.216 76.431 0.346 3.51 2 19.5 0.6 262 1 5 -2 38.217 76.433 0.346 3.51 4 71.8 16.7 263 2 2 -5 38.232 76.464 0.346 3.51 4 45.2 6.6 264 0 5 2 38.242 76.484 0.346 3.5 4 30.4 3.0 265 4 0 4 38.4 76.801 0.347 3.48 2 25.0 1.0 266 4 3 -4 38.483 76.965 0.348 3.47 4 3.3 0.0 267 4 1 -5 38.619 77.238 0.349 3.45 4 43.4 6.0 268 7 1 1 38.623 77.245 0.349 3.45 4 20.7 1.4 269 7 2 0 38.64 77.28 0.349 3.44 4 28.5 2.6 270 6 1 -4 38.67 77.34 0.349 3.44 4 12.0 0.5 271 3 5 0 38.692 77.384 0.349 3.43 4 26.8 2.3 272 0 2 5 38.762 77.525 0.35 3.42 4 23.7 1.8 273 2 3 4 38.784 77.569 0.35 3.42 4 49.2 7.7 274 7 2 -2 38.823 77.646 0.35 3.42 4 31.2 3.1 275 3 5 -1 38.845 77.69 0.351 3.41 4 28.5 2.6 276 4 3 3 38.913 77.827 0.351 3.4 4 15.2 0.7 277 7 1 -3 38.989 77.977 0.352 3.39 4 39.7 4.9 278 2 5 -2 39.0 78.001 0.352 3.39 4 66.0 13.7 279 1 5 2 39.076 78.151 0.352 3.38 4 11.6 0.4 280 6 2 2 39.149 78.298 0.353 3.37 4 30.2 2.8 281 4 4 -3 39.167 78.334 0.353 3.37 4 1.0 0.0 282 4 1 4 39.172 78.344 0.353 3.36 4 3.8 0.0 283 3 2 -5 39.179 78.359 0.353 3.36 4 39.0 4.7 284 5 4 -2 39.248 78.497 0.354 3.35 4 32.4 3.3 285 6 3 1 39.331 78.662 0.354 3.34 4 50.5 7.9 286 5 2 3 39.332 78.664 0.354 3.34 4 65.7 13.4 287 2 0 5 39.434 78.869 0.355 3.33 2 75.3 8.7 288 4 4 2 39.473 78.947 0.355 3.32 4 79.5 19.4 289 5 4 1 40.071 80.142 0.36 3.25 4 39.7 4.7 290 3 5 1 40.125 80.251 0.36 3.24 4 60.0 10.8 291 2 1 5 40.201 80.401 0.361 3.23 4 15.1 0.7 292 1 2 5 40.231 80.463 0.361 3.23 4 29.1 2.5 293 1 4 -4 40.392 80.784 0.362 3.21 4 23.1 1.6 294 5 0 -5 40.401 80.801 0.362 3.21 2 1.3 0.0 295 6 3 -3 40.545 81.09 0.363 3.19 4 17.9 0.9 296 3 5 -2 40.58 81.159 0.364 3.18 4 85.0 21.3 297 8 0 -1 40.679 81.358 0.364 3.17 2 7.3 0.1 298 2 5 2 40.704 81.408 0.365 3.17 4 12.8 0.5 299 2 4 -4 40.741 81.483 0.365 3.17 4 86.7 22.0 300 3 4 3 40.831 81.661 0.365 3.16 4 1.2 0.0 301 0 4 4 40.841 81.681 0.366 3.16 4 11.4 0.4 302 4 2 -5 40.919 81.838 0.366 3.15 4 27.4 2.2 303 7 2 1 40.922 81.845 0.366 3.15 4 49.6 7.2 304 6 2 -4 40.969 81.939 0.367 3.14 4 19.2 1.1 305 5 1 -5 41.163 82.325 0.368 3.12 4 45.8 6.1 306 5 3 -4 41.239 82.479 0.368 3.11 4 91.9 24.3 307 7 2 -3 41.283 82.566 0.369 3.11 4 43.2 5.4 308 6 0 3 41.311 82.621 0.369 3.11 2 30.2 1.3 309 8 0 -2 41.343 82.687 0.369 3.1 2 77.1 8.5 310 4 5 -1 41.434 82.869 0.37 3.09 4 41.0 4.8 311 8 1 -1 41.44 82.88 0.37 3.09 4 23.2 1.5 312 4 2 4 41.464 82.929 0.37 3.09 4 11.7 0.4 313 4 5 0 41.495 82.99 0.37 3.09 4 54.6 8.5 314 8 0 0 41.585 83.171 0.371 3.08 2 28.8 1.2 315 3 3 4 41.635 83.27 0.371 3.07 4 22.9 1.5 316 7 0 2 41.714 83.428 0.372 3.07 2 19.9 0.6 317 7 3 -1 41.765 83.53 0.372 3.06 4 6.7 0.1 318 3 4 -4 41.885 83.77 0.373 3.05 4 10.6 0.3 319 1 3 -5 41.921 83.842 0.373 3.05 4 26.7 2.0 320 1 5 -3 41.954 83.907 0.374 3.04 4 39.5 4.4 321 2 3 -5 42.058 84.115 0.374 3.03 4 11.0 0.3 322 6 1 3 42.069 84.139 0.375 3.03 4 4.6 0.1 323 1 4 4 42.082 84.165 0.375 3.03 4 8.6 0.2 324 8 1 -2 42.102 84.204 0.375 3.03 4 9.2 0.2 325 5 4 -3 42.124 84.247 0.375 3.03 4 39.2 4.3 326 6 4 -1 42.125 84.25 0.375 3.03 4 2.5 0.0 327 0 5 3 42.189 84.378 0.375 3.02 4 24.8 1.7 328 7 0 -4 42.253 84.506 0.376 3.02 2 72.2 7.3 329 8 1 0 42.343 84.687 0.377 3.01 4 0.8 0.0 330 7 3 0 42.457 84.914 0.377 3.0 4 17.4 0.8 331 7 1 2 42.472 84.943 0.377 3.0 4 46.6 6.0 332 2 2 5 42.481 84.961 0.378 3.0 4 90.6 22.8 333 3 0 5 42.485 84.971 0.378 3.0 2 23.1 0.7 334 2 5 -3 42.511 85.022 0.378 2.99 4 30.0 2.5 335 0 3 5 42.577 85.154 0.378 2.99 4 29.6 2.4 336 6 4 0 42.606 85.212 0.378 2.99 4 39.4 4.3 337 7 3 -2 42.636 85.273 0.379 2.98 4 7.0 0.1 338 5 0 4 42.844 85.688 0.38 2.97 2 123.2 20.8 339 4 5 -2 42.937 85.875 0.381 2.96 4 68.9 13.0 340 6 3 2 42.956 85.912 0.381 2.96 4 17.8 0.9 341 3 3 -5 42.986 85.972 0.381 2.96 4 38.3 4.0 342 7 1 -4 43.009 86.019 0.381 2.95 4 3.9 0.0 343 3 5 2 43.109 86.219 0.382 2.95 4 13.8 0.5 344 4 5 1 43.118 86.236 0.382 2.95 4 58.2 9.2 345 5 3 3 43.136 86.271 0.382 2.94 4 36.0 3.5 346 6 4 -2 43.205 86.41 0.383 2.94 4 70.6 13.6 347 1 5 3 43.215 86.43 0.383 2.94 4 54.7 8.1 348 3 1 5 43.241 86.482 0.383 2.94 4 4.3 0.0 349 2 0 -6 43.416 86.832 0.384 2.92 2 51.8 3.6 350 5 2 -5 43.434 86.868 0.384 2.92 4 69.9 13.2 351 5 4 2 43.475 86.951 0.385 2.92 4 3.8 0.0 352 0 6 0 43.483 86.965 0.385 2.92 2 74.0 7.4 353 1 0 -6 43.49 86.979 0.385 2.92 2 65.3 5.8 354 8 0 -3 43.566 87.132 0.385 2.91 2 68.9 6.4 355 5 1 4 43.599 87.198 0.385 2.91 4 8.9 0.2 356 8 2 -1 43.71 87.419 0.386 2.9 4 66.9 12.0 357 6 0 -5 43.711 87.422 0.386 2.9 2 5.3 0.0 358 4 4 -4 43.814 87.628 0.387 2.9 4 23.8 1.5 359 3 5 -3 43.857 87.715 0.387 2.89 4 48.6 6.3 360 1 6 0 43.877 87.755 0.387 2.89 4 24.1 1.6 361 1 3 5 44.021 88.043 0.388 2.88 4 43.4 5.0 362 8 0 1 44.047 88.094 0.389 2.88 2 95.1 12.1 363 2 4 4 44.108 88.217 0.389 2.88 4 19.5 1.0 364 3 0 -6 44.132 88.264 0.389 2.88 2 9.4 0.1 365 2 1 -6 44.17 88.341 0.39 2.87 4 12.9 0.4 366 4 4 3 44.234 88.469 0.39 2.87 4 3.2 0.0 367 1 1 -6 44.244 88.488 0.39 2.87 4 27.4 2.0 368 0 6 1 44.261 88.522 0.39 2.87 4 49.4 6.5 369 8 1 -3 44.32 88.64 0.391 2.87 4 6.2 0.1 370 6 2 3 44.335 88.671 0.391 2.86 4 11.0 0.3 371 0 0 6 44.353 88.706 0.391 2.86 2 63.1 5.3 372 8 2 -2 44.368 88.735 0.391 2.86 4 40.1 4.3 373 1 6 -1 44.446 88.892 0.391 2.86 4 5.2 0.1 374 6 1 -5 44.465 88.93 0.392 2.86 4 1.4 0.0 375 8 2 0 44.608 89.216 0.393 2.85 4 71.0 13.3 376 6 4 1 44.643 89.287 0.393 2.85 4 95.0 23.8 377 4 3 -5 44.701 89.402 0.393 2.84 4 10.2 0.3 378 7 3 1 44.704 89.409 0.393 2.84 4 11.5 0.3 379 7 2 2 44.736 89.472 0.393 2.84 4 76.1 15.2 380 6 3 -4 44.751 89.502 0.394 2.84 4 7.6 0.2 381 5 5 -1 44.784 89.567 0.394 2.84 4 56.5 8.4 382 8 1 1 44.801 89.601 0.394 2.84 4 37.3 3.6 383 1 6 1 44.865 89.73 0.394 2.84 4 29.6 2.3 384 3 1 -6 44.886 89.771 0.394 2.83 4 14.9 0.6 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 4.759 9.518 10.78092 93.5 28.5 28.9 5.6 2 0 0 1 6.691 13.382 7.67695 32.4 9.9 10.0 5.6 3 1 0 -1 7.448 14.896 6.90034 4.2 1.3 1.3 5.6 4 1 1 0 8.138 16.275 6.31893 5.4 1.6 1.7 5.6 5 2 0 0 9.551 19.103 5.39046 305.3 93.0 93.7 5.6 6 1 1 -1 9.967 19.934 5.16793 64.0 19.5 19.6 5.6 7 1 1 1 11.131 22.262 4.63332 276.0 84.0 84.5 5.6 8 2 1 0 11.637 23.274 4.43435 5.5 1.7 1.7 5.6 9 2 1 -1 12.514 25.028 4.12799 9.3 2.8 2.8 5.6 10 2 0 1 12.712 25.424 4.06485 7.3 2.2 2.2 5.6 11 0 2 0 13.26 26.521 3.8995 105.2 32.0 32.1 5.6 12 1 0 -2 13.421 26.842 3.8537 32.9 10.0 10.0 5.6 13 0 0 2 13.475 26.95 3.83848 103.9 31.6 31.7 5.6 14 1 2 0 14.118 28.236 3.667 28.4 8.6 8.7 5.6 15 2 1 1 14.368 28.735 3.60463 48.6 14.8 14.8 5.6 16 3 0 0 14.412 28.825 3.59364 6.0 1.8 1.8 5.6 17 3 0 -1 14.719 29.439 3.52032 71.1 21.7 21.7 5.6 18 0 2 1 14.908 29.817 3.47669 328.4 100.0 100.0 5.6 19 1 1 -2 15.004 30.009 3.45493 39.5 12.0 12.0 5.6 20 0 1 2 15.053 30.107 3.44395 17.4 5.3 5.3 5.6 21 1 2 -1 15.276 30.552 3.3949 11.4 3.5 3.5 5.6 22 3 1 0 15.906 31.811 3.26382 110.8 33.7 33.7 5.6 23 1 2 1 16.081 32.162 3.2291 47.3 14.4 14.4 5.6 24 3 1 -1 16.187 32.374 3.20859 13.5 4.1 4.1 5.6 25 2 2 0 16.446 32.891 3.15947 169.4 51.6 51.4 5.6 26 1 1 2 16.603 33.207 3.13029 16.5 5.0 5.0 5.6 27 2 2 -1 17.095 34.19 3.04281 241.1 73.4 73.1 5.7 28 3 0 -2 17.885 35.77 2.9125 7.0 2.1 2.1 5.7 29 2 0 2 18.094 36.188 2.88 9.0 2.7 2.7 5.7 30 3 1 1 18.401 36.803 2.83352 72.0 21.9 21.8 5.7 31 2 2 1 18.534 37.067 2.814 89.6 27.3 27.1 5.7 32 1 2 -2 19.046 38.091 2.74103 63.0 19.2 19.1 5.7 33 3 1 -2 19.137 38.274 2.72845 98.2 29.9 29.7 5.7 34 4 0 -1 19.286 38.572 2.70815 13.7 4.2 4.1 5.7 35 4 0 0 19.382 38.764 2.69523 20.1 6.1 6.1 5.7 36 3 2 0 19.784 39.568 2.64261 3.4 1.0 1.0 5.7 37 3 2 -1 20.017 40.035 2.61304 88.2 26.9 26.6 5.7 38 1 0 -3 20.099 40.198 2.60286 67.7 20.6 20.4 5.7 39 2 2 -2 20.253 40.505 2.58396 32.0 9.7 9.6 5.7 40 1 2 2 20.366 40.731 2.57022 142.6 43.4 43.0 5.7 41 4 1 -1 20.465 40.929 2.5583 22.9 7.0 6.9 5.7 42 2 0 -3 20.944 41.888 2.50229 47.2 14.4 14.2 5.7 43 1 1 -3 21.24 42.48 2.46898 15.5 4.7 4.7 5.7 44 0 3 1 21.301 42.601 2.46232 12.8 3.9 3.9 5.7 45 1 3 -1 21.572 43.145 2.43274 4.1 1.3 1.2 5.7 46 3 0 2 21.823 43.645 2.40617 48.1 14.6 14.4 5.7 47 1 0 3 21.975 43.95 2.39031 17.2 5.2 5.2 5.7 48 2 1 -3 22.049 44.099 2.38266 11.1 3.4 3.3 5.7 49 2 3 0 22.457 44.914 2.34158 23.7 7.2 7.1 5.7 50 4 1 -2 22.653 45.307 2.32234 24.1 7.3 7.2 5.7 51 2 2 2 22.712 45.424 2.31666 14.8 4.5 4.4 5.7 52 4 1 1 22.906 45.811 2.29811 5.6 1.7 1.7 5.7 53 1 1 3 23.041 46.081 2.28538 10.3 3.1 3.1 5.7 54 4 2 -1 23.711 47.422 2.22435 19.9 6.1 6.0 5.7 55 4 2 0 23.792 47.585 2.21717 8.5 2.6 2.5 5.7 56 3 1 -3 23.918 47.837 2.20617 53.3 16.2 16.0 5.7 57 2 3 1 24.105 48.211 2.19007 10.5 3.2 3.1 5.7 58 5 0 -1 24.15 48.3 2.18627 13.8 4.2 4.1 5.7 59 1 2 -3 24.404 48.808 2.16489 8.6 2.6 2.6 5.7 60 1 3 -2 24.522 49.043 2.15514 28.5 8.7 8.5 5.7 61 0 2 3 24.713 49.427 2.13945 72.2 22.0 21.5 5.7 62 3 3 0 25.129 50.258 2.10631 216.9 66.0 64.7 5.8 63 2 1 3 25.46 50.92 2.08071 50.1 15.3 14.9 5.8 64 5 1 0 25.493 50.985 2.07822 9.6 2.9 2.8 5.8 65 1 3 2 25.613 51.226 2.0691 78.3 23.8 23.3 5.8 66 5 0 -2 25.83 51.659 2.05295 17.8 5.4 5.3 5.8 67 3 2 2 25.9 51.801 2.04772 62.7 19.1 18.7 5.8 68 4 0 2 26.11 52.22 2.03243 42.2 12.8 12.5 5.8 69 4 1 -3 26.679 53.358 1.99214 10.1 3.1 3.0 5.8 70 5 0 1 26.846 53.693 1.98065 3.7 1.1 1.1 5.8 71 3 3 1 26.913 53.825 1.97613 14.6 4.4 4.3 5.8 72 4 1 2 27.052 54.103 1.96674 23.8 7.3 7.1 5.8 73 0 4 0 27.307 54.614 1.94975 139.4 42.4 41.3 5.8 74 3 3 -2 27.464 54.928 1.93945 6.5 2.0 1.9 5.8 75 2 0 -4 27.659 55.318 1.92685 48.9 14.9 14.5 5.8 76 1 4 0 27.788 55.576 1.91863 5.5 1.7 1.6 5.8 77 5 2 -1 27.972 55.944 1.907 30.5 9.3 9.0 5.8 78 1 1 -4 28.153 56.305 1.89576 12.7 3.9 3.7 5.8 79 2 2 3 28.266 56.531 1.8888 4.2 1.3 1.2 5.8 80 5 2 0 28.296 56.592 1.88694 9.2 2.8 2.7 5.8 81 1 4 -1 28.471 56.943 1.87629 4.9 1.5 1.4 5.8 82 4 3 0 28.557 57.114 1.87111 42.9 13.1 12.7 5.8 83 3 1 3 28.671 57.341 1.86433 19.2 5.9 5.7 5.8 84 5 0 -3 29.295 58.591 1.828 9.2 2.8 2.7 5.8 85 0 3 3 29.371 58.743 1.82369 5.1 1.5 1.5 5.8 86 4 2 -3 29.405 58.809 1.8218 11.4 3.5 3.4 5.8 87 2 4 -1 29.618 59.237 1.80984 8.0 2.5 2.4 5.8 88 6 0 0 29.855 59.709 1.79682 6.6 2.0 2.0 5.8 89 1 1 4 30.123 60.246 1.78229 3.6 1.1 1.0 5.8 90 6 1 -1 30.172 60.343 1.77969 8.1 2.5 2.4 5.8 91 4 3 1 30.442 60.885 1.76536 21.1 6.4 6.2 5.8 92 6 0 -2 30.542 61.084 1.76016 23.3 7.1 6.8 5.8 93 6 1 0 30.72 61.44 1.75095 5.6 1.7 1.7 5.8 94 1 2 -4 30.793 61.585 1.74722 24.6 7.5 7.2 5.8 95 5 0 2 30.849 61.699 1.74432 3.5 1.1 1.0 5.8 96 0 4 2 30.967 61.934 1.73835 6.1 1.9 1.8 5.8 97 3 3 -3 31.281 62.562 1.72264 45.8 13.9 13.4 5.8 98 6 1 -2 31.396 62.792 1.71697 12.3 3.7 3.6 5.9 99 1 4 2 31.881 63.762 1.69354 4.5 1.4 1.3 5.9 100 6 0 1 32.159 64.319 1.68045 57.5 17.5 16.8 5.9 101 5 3 -1 32.315 64.63 1.67323 19.3 5.9 5.6 5.9 102 2 1 4 32.402 64.803 1.66923 13.6 4.1 4.0 5.9 103 3 2 -4 32.45 64.9 1.66702 3.5 1.1 1.0 5.9 104 4 1 3 32.541 65.082 1.66288 19.9 6.1 5.8 5.9 105 5 3 0 32.612 65.225 1.65963 4.0 1.2 1.2 5.9 106 1 2 4 32.666 65.332 1.65719 6.1 1.9 1.8 5.9 107 3 4 1 33.02 66.04 1.64141 8.9 2.7 2.6 5.9 108 6 2 0 33.237 66.474 1.63191 16.4 5.0 4.8 5.9 109 2 4 2 33.642 67.284 1.61455 5.9 1.8 1.7 5.9 110 5 3 -2 33.722 67.445 1.61115 19.5 5.9 5.7 5.9 111 6 2 -2 33.886 67.772 1.6043 7.6 2.3 2.2 5.9 112 4 3 2 33.961 67.922 1.60117 15.5 4.7 4.5 5.9 113 5 0 -4 34.214 68.429 1.59074 39.1 11.9 11.4 5.9 114 4 4 -1 34.422 68.844 1.58232 4.9 1.5 1.4 5.9 115 2 2 4 34.854 69.708 1.56515 6.6 2.0 1.9 5.9 116 1 3 -4 34.93 69.86 1.56217 10.9 3.3 3.2 5.9 117 1 4 -3 34.973 69.946 1.56049 19.6 6.0 5.7 5.9 118 5 1 -4 35.021 70.041 1.55865 8.4 2.6 2.4 5.9 119 0 4 3 35.222 70.444 1.55088 5.2 1.6 1.5 5.9 120 2 3 -4 35.297 70.594 1.548 11.9 3.6 3.5 5.9 121 6 2 1 35.422 70.844 1.54325 3.6 1.1 1.0 5.9 122 7 0 0 35.505 71.009 1.54013 5.9 1.8 1.7 5.9 123 7 1 -1 35.574 71.147 1.53754 17.1 5.2 4.9 5.9 124 7 0 -2 35.693 71.387 1.53306 9.1 2.8 2.6 5.9 125 1 1 -5 35.737 71.474 1.53143 4.6 1.4 1.3 5.9 126 2 1 -5 35.88 71.761 1.52613 9.0 2.7 2.6 5.9 127 1 5 -1 36.009 72.018 1.52141 6.2 1.9 1.8 5.9 128 3 4 2 36.19 72.379 1.51485 6.3 1.9 1.8 5.9 129 1 4 3 36.3 72.601 1.51087 4.6 1.4 1.3 6.0 130 1 5 1 36.448 72.897 1.50557 25.4 7.7 7.3 6.0 131 3 3 -4 36.491 72.982 1.50406 8.3 2.5 2.4 6.0 132 1 3 4 36.696 73.392 1.49683 58.3 17.7 16.8 6.0 133 5 3 -3 36.739 73.478 1.49533 8.0 2.4 2.3 6.0 134 1 0 5 37.141 74.281 1.48145 39.7 12.1 11.4 6.0 135 6 3 0 37.239 74.477 1.47812 7.6 2.3 2.2 6.0 136 5 2 -4 37.393 74.786 1.4729 16.9 5.1 4.8 6.0 137 7 0 1 37.847 75.695 1.45782 8.4 2.6 2.4 6.0 138 2 5 1 37.895 75.79 1.45626 20.1 6.1 5.8 6.0 139 7 2 -1 37.932 75.864 1.45505 16.1 4.9 4.6 6.0 140 1 5 -2 38.217 76.433 1.44586 26.3 8.0 7.5 6.0 141 4 1 -5 38.619 77.238 1.43311 10.0 3.0 2.8 6.0 142 2 3 4 38.784 77.569 1.42796 9.4 2.9 2.7 6.0 143 7 2 -2 38.823 77.646 1.42676 5.6 1.7 1.6 6.0 144 2 5 -2 39.0 78.001 1.4213 18.6 5.7 5.3 6.0 145 3 2 -5 39.179 78.359 1.41585 4.7 1.4 1.3 6.0 146 5 2 3 39.332 78.664 1.41124 21.2 6.5 6.0 6.0 147 2 0 5 39.434 78.869 1.40817 8.7 2.7 2.5 6.0 148 4 4 2 39.473 78.947 1.407 19.4 5.9 5.5 6.0 149 5 4 1 40.071 80.142 1.38948 4.7 1.4 1.3 6.0 150 3 5 1 40.125 80.251 1.38791 10.8 3.3 3.1 6.0 151 3 5 -2 40.58 81.159 1.37502 21.3 6.5 6.0 6.1 152 2 4 -4 40.741 81.483 1.37051 22.0 6.7 6.2 6.1 153 7 2 1 40.922 81.845 1.36551 9.4 2.8 2.6 6.1 154 5 1 -5 41.163 82.325 1.35895 6.1 1.8 1.7 6.1 155 5 3 -4 41.239 82.479 1.35687 24.3 7.4 6.9 6.1 156 7 2 -3 41.283 82.566 1.35569 6.7 2.0 1.9 6.1 157 8 0 -2 41.343 82.687 1.35408 8.5 2.6 2.4 6.1 158 4 5 -1 41.434 82.869 1.35164 6.7 2.1 1.9 6.1 159 4 5 0 41.495 82.99 1.35002 8.5 2.6 2.4 6.1 160 1 5 -3 41.954 83.907 1.33795 4.4 1.3 1.2 6.1 161 5 4 -3 42.124 84.247 1.33355 4.3 1.3 1.2 6.1 162 7 0 -4 42.253 84.506 1.33024 7.3 2.2 2.0 6.1 163 2 2 5 42.481 84.961 1.32446 32.0 9.8 9.0 6.1 164 6 4 0 42.606 85.212 1.32131 6.7 2.0 1.9 6.1 165 5 0 4 42.844 85.688 1.31537 20.8 6.3 5.8 6.1 166 4 5 -2 42.937 85.875 1.31307 13.9 4.2 3.9 6.1 167 3 3 -5 42.986 85.972 1.31188 4.1 1.2 1.1 6.1 168 4 5 1 43.118 86.236 1.30864 12.8 3.9 3.6 6.1 169 6 4 -2 43.205 86.41 1.30652 21.7 6.6 6.1 6.1 170 5 2 -5 43.434 86.868 1.30099 16.8 5.1 4.7 6.1 171 0 6 0 43.483 86.965 1.29983 13.1 4.0 3.7 6.1 172 8 0 -3 43.566 87.132 1.29785 6.4 1.9 1.8 6.2 173 8 2 -1 43.71 87.419 1.29443 12.1 3.7 3.4 6.2 174 3 5 -3 43.857 87.715 1.29095 7.9 2.4 2.2 6.2 175 8 0 1 44.047 88.094 1.28654 17.1 5.2 4.8 6.2 176 0 6 1 44.261 88.522 1.28159 8.5 2.6 2.4 6.2 177 0 0 6 44.353 88.706 1.27949 9.5 2.9 2.6 6.2 178 8 2 0 44.608 89.216 1.2737 13.3 4.1 3.7 6.2 179 6 4 1 44.643 89.287 1.27291 23.8 7.2 6.6 6.2 180 7 2 2 44.736 89.472 1.27083 15.4 4.7 4.3 6.2 181 5 5 -1 44.784 89.567 1.26976 12.0 3.7 3.3 6.2 Reference: Chichagov A.V. et al. Information-Calculating System on Crystal Structure Data of Minerals (MINCRYST) - Kristallographiya, v.35, n.3, 1990, p.610-616 (in Russian) |