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 *** *********************** PHOSPHAMMITE 1, syn, f-monetite [NH(4)](2)HPO(4) Monoclinic P 2(1)/c Z = 4 P2(1)/c 21 .1 .1908 Ref.Str.: Khan A.A., Roux J.P., James W.J. (1972) Acta Cryst., B28, 2065-2069 Reserv: N.A.D. Initial data from BDM-file Lattice parameters (cub. angs.,degr.): a = 11.043 alpha = 90.0 b = 6.7 beta = 113.42 c = 8.031 gamma = 90.0 Unit cell volume (cub. angs.) = 545.25 Molar volume ( cub.cm/mol.) = 82.11 Co-ordinates, thermal parameters, occupation for atomic positions: NoP x/a y/b z/c B(j) atom / occupation 1 0.4517 0.119 0.1608 0.0 NH(4) = 1.00 2 0.1217 0.3857 0.262 0.0 NH(4) = 1.00 3 0.179 0.876 0.137 0.0 H = 1.00 4 0.513 0.16 0.115 0.0 H = 1.00 5 0.418 0.0 0.115 0.0 H = 1.00 6 0.496 0.121 0.285 0.0 H = 1.00 7 0.392 0.205 0.127 0.0 H = 1.00 8 0.17 0.405 0.186 0.0 H = 1.00 9 0.125 0.498 0.315 0.0 H = 1.00 10 0.161 0.292 0.348 0.0 H = 1.00 11 0.043 0.351 0.197 0.0 H = 1.00 12 0.2491 0.8911 0.4304 0.0 P = 1.00 13 0.2039 0.9678 0.2277 0.0 O = 1.00 14 0.2644 0.0823 0.5394 0.0 O = 1.00 15 0.3767 0.7735 0.4845 0.0 O = 1.00 16 0.1389 0.7602 0.4409 0.0 O = 1.00 Co-ordinates for all atomic positions : No NoP x/a y/b z/c 1 1 0.4517 0.119 0.1608 2 2 0.1217 0.3857 0.262 3 3 0.179 0.876 0.137 4 4 0.513 0.16 0.115 5 5 0.418 0.0 0.115 6 6 0.496 0.121 0.285 7 7 0.392 0.205 0.127 8 8 0.17 0.405 0.186 9 9 0.125 0.498 0.315 10 10 0.161 0.292 0.348 11 11 0.043 0.351 0.197 12 12 0.2491 0.8911 0.4304 13 13 0.2039 0.9678 0.2277 14 14 0.2644 0.0823 0.5394 15 15 0.3767 0.7735 0.4845 16 16 0.1389 0.7602 0.4409 17 1 0.5483 0.619 0.3392 18 2 0.8783 0.8857 0.238 19 3 0.821 0.376 0.363 20 4 0.487 0.66 0.385 21 5 0.582 0.5 0.385 22 6 0.504 0.621 0.215 23 7 0.608 0.705 0.373 24 8 0.83 0.905 0.314 25 9 0.875 0.998 0.185 26 10 0.839 0.792 0.152 27 11 0.957 0.851 0.303 28 12 0.7509 0.3911 0.0696 29 13 0.7961 0.4678 0.2723 30 14 0.7356 0.5823 0.9606 31 15 0.6233 0.2735 0.0155 32 16 0.8611 0.2602 0.0591 33 1 0.4517 0.381 0.6608 34 2 0.1217 0.1143 0.762 35 3 0.179 0.624 0.637 36 4 0.513 0.34 0.615 37 5 0.418 0.5 0.615 38 6 0.496 0.379 0.785 39 7 0.392 0.295 0.627 40 8 0.17 0.095 0.686 41 9 0.125 0.002 0.815 42 10 0.161 0.208 0.848 43 11 0.043 0.149 0.697 44 12 0.2491 0.6089 0.9304 45 13 0.2039 0.5322 0.7277 46 14 0.2644 0.4177 0.0394 47 15 0.3767 0.7265 0.9845 48 16 0.1389 0.7398 0.9409 49 1 0.5483 0.881 0.8392 50 2 0.8783 0.6143 0.738 51 3 0.821 0.124 0.863 52 4 0.487 0.84 0.885 53 5 0.582 0.0 0.885 54 6 0.504 0.879 0.715 55 7 0.608 0.795 0.873 56 8 0.83 0.595 0.814 57 9 0.875 0.502 0.685 58 10 0.839 0.708 0.652 59 11 0.957 0.649 0.803 60 12 0.7509 0.1089 0.5696 61 13 0.7961 0.0322 0.7723 62 14 0.7356 0.9177 0.4606 63 15 0.6233 0.2265 0.5155 64 16 0.8611 0.2398 0.5591 X-ray density (g/cm cub.) = 1.71 MU (1/cm) = 40.256 Mass attenuation coefficient (cm**2/g) = 23.591 Selected interatomic distances (cation-anion,anion-anion): NoP Atom Rad.sph. C.N. Distance NoP N. (angs.) (angs.) 1 NH(4) 3.192 5 3.1578 13 2.7896 15 2.7624 14 2.9452 15 2.8166 15 2 NH(4) 3.192 5 2.9897 13 2.9644 14 2.8599 16 2.8136 16 2.8222 14 3 H 1.632 1 0.9084 13 4 H 1.632 0 5 H 1.632 0 6 H 1.632 0 7 H 1.632 0 8 H 1.632 0 9 H 1.632 0 10 H 1.632 0 11 H 1.632 0 12 P 2.232 4 1.5868 13 1.5225 14 1.5191 15 1.5295 16 13 O 3.264 4 2.4437 14 2.5418 15 2.5216 16 2.6153 16 14 O 3.264 3 2.4437 13 2.5392 15 2.5164 16 15 O 3.264 3 2.5418 13 2.5392 14 2.5091 16 16 O 3.264 4 2.5216 13 2.5164 14 2.5091 15 2.6153 13 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 4.36 8.719 0.049 343.14 2 4.2 4.0 2 1 1 0 7.922 15.844 0.089 102.34 4 47.3 307.8 3 2 0 0 8.745 17.489 0.099 83.59 2 83.3 390.6 4 1 1 -1 8.838 17.676 0.1 81.79 4 22.6 56.4 5 0 1 1 8.939 17.878 0.101 79.91 4 47.4 241.7 6 2 1 -1 10.724 21.448 0.121 54.86 4 47.5 166.6 7 1 1 1 10.974 21.948 0.124 52.29 4 32.8 75.8 8 2 1 0 10.988 21.976 0.124 52.15 4 1.8 0.2 9 1 0 -2 11.067 22.134 0.125 51.38 2 54.8 103.7 10 2 0 -2 11.762 23.523 0.132 45.25 2 79.4 191.8 11 0 0 2 12.067 24.133 0.136 42.89 2 33.7 32.7 12 1 1 -2 12.93 25.859 0.145 37.09 4 38.5 74.0 13 3 0 0 13.182 26.364 0.148 35.6 2 59.4 84.5 14 0 2 0 13.293 26.586 0.149 34.98 2 0.6 0.0 15 2 1 -2 13.534 27.068 0.152 33.67 4 9.2 3.9 16 0 1 2 13.803 27.605 0.155 32.3 4 63.0 172.4 17 3 1 -1 13.837 27.674 0.155 32.13 4 45.7 90.4 18 3 0 -2 13.912 27.825 0.156 31.76 2 73.5 115.4 19 1 2 0 14.015 28.03 0.157 31.27 4 8.1 2.8 20 2 1 1 14.165 28.331 0.159 30.56 4 73.7 223.6 21 1 0 2 14.432 28.863 0.162 29.38 2 2.4 0.1 22 1 2 -1 14.567 29.134 0.163 28.8 4 73.3 208.2 23 0 2 1 14.63 29.26 0.164 28.53 4 41.8 67.0 24 3 1 0 14.796 29.593 0.166 27.85 4 15.1 8.6 25 3 1 -2 15.457 30.913 0.173 25.36 4 26.0 23.1 26 2 2 -1 15.815 31.631 0.177 24.14 4 57.5 107.2 27 1 1 2 15.93 31.86 0.178 23.76 4 55.8 99.6 28 1 2 1 15.991 31.981 0.179 23.57 4 13.8 6.0 29 2 2 0 16.001 32.002 0.179 23.54 4 34.9 38.7 30 4 0 -2 17.015 34.03 0.19 20.6 2 0.0 0.0 31 1 2 -2 17.429 34.859 0.194 19.55 4 16.5 7.1 32 4 1 -1 17.59 35.181 0.196 19.16 4 79.2 161.7 33 2 0 2 17.665 35.329 0.197 18.98 2 15.0 2.9 34 4 0 0 17.702 35.403 0.197 18.9 2 14.2 2.5 35 2 2 -2 17.895 35.791 0.199 18.45 4 15.4 5.9 36 3 1 1 17.961 35.923 0.2 18.3 4 10.0 2.5 37 0 2 2 18.105 36.21 0.202 17.99 4 45.9 50.9 38 2 1 -3 18.124 36.247 0.202 17.95 4 24.8 14.9 39 3 2 -1 18.132 36.264 0.202 17.93 4 12.3 3.7 40 1 1 -3 18.279 36.559 0.204 17.61 4 25.1 15.0 41 4 1 -2 18.324 36.648 0.204 17.52 4 2.3 0.1 42 2 2 1 18.391 36.782 0.205 17.38 4 38.8 35.1 43 3 2 0 18.896 37.791 0.21 16.37 4 11.5 2.9 44 2 1 2 18.935 37.87 0.211 16.3 4 18.4 7.5 45 4 1 0 18.97 37.94 0.211 16.23 4 6.4 0.9 46 3 1 -3 19.066 38.132 0.212 16.05 4 21.8 10.3 47 3 2 -2 19.432 38.864 0.216 15.39 4 28.3 16.6 48 0 1 3 19.511 39.022 0.217 15.25 4 52.2 55.9 49 1 2 2 19.821 39.643 0.22 14.73 4 22.2 9.8 50 1 3 0 20.682 41.364 0.229 13.4 4 14.6 3.9 51 5 0 -2 20.705 41.409 0.229 13.36 2 9.5 0.8 52 4 1 -3 20.981 41.962 0.232 12.97 4 8.7 1.3 53 1 3 -1 21.078 42.157 0.233 12.84 4 12.3 2.6 54 0 3 1 21.124 42.249 0.234 12.78 4 24.1 10.0 55 4 2 -1 21.218 42.436 0.235 12.65 4 15.4 4.0 56 3 0 2 21.439 42.879 0.237 12.36 2 18.7 2.9 57 3 2 1 21.536 43.071 0.238 12.24 4 3.1 0.2 58 1 1 3 21.663 43.327 0.24 12.07 4 2.7 0.1 59 2 2 -3 21.675 43.35 0.24 12.06 4 38.2 23.7 60 5 1 -1 21.726 43.451 0.24 12.0 4 37.2 22.4 61 1 2 -3 21.809 43.619 0.241 11.89 4 12.3 2.4 62 5 1 -2 21.825 43.65 0.241 11.87 4 24.5 9.6 63 4 2 -2 21.848 43.696 0.242 11.85 4 30.0 14.3 64 2 3 -1 22.003 44.005 0.243 11.66 4 0.9 0.0 65 4 1 1 22.126 44.252 0.244 11.51 4 7.1 0.8 66 1 3 1 22.135 44.271 0.245 11.5 4 6.7 0.7 67 2 3 0 22.143 44.286 0.245 11.49 4 1.9 0.1 68 5 0 0 22.338 44.677 0.247 11.27 2 8.9 0.6 69 2 2 2 22.378 44.757 0.247 11.22 4 7.6 0.9 70 4 2 0 22.409 44.818 0.247 11.19 4 58.2 51.0 71 3 2 -3 22.493 44.986 0.248 11.09 4 6.5 0.6 72 3 1 2 22.53 45.061 0.249 11.05 4 37.5 20.9 73 2 0 -4 22.576 45.153 0.249 11.0 2 34.0 8.6 74 3 0 -4 22.868 45.736 0.252 10.69 2 9.2 0.6 75 0 2 3 22.882 45.765 0.252 10.67 4 27.1 10.6 76 1 0 -4 23.21 46.42 0.256 10.33 2 38.0 10.0 77 1 3 -2 23.249 46.497 0.256 10.3 4 33.2 15.3 78 5 1 0 23.396 46.792 0.258 10.15 4 17.1 4.0 79 2 3 -2 23.618 47.236 0.26 9.93 4 11.2 1.7 80 2 1 -4 23.626 47.251 0.26 9.93 4 69.6 64.6 81 5 1 -3 23.677 47.353 0.261 9.88 4 6.9 0.6 82 0 3 2 23.785 47.57 0.262 9.78 4 24.4 7.9 83 3 3 -1 23.807 47.614 0.262 9.76 4 2.8 0.1 84 3 1 -4 23.907 47.815 0.263 9.66 4 8.7 1.0 85 2 3 1 24.015 48.03 0.264 9.57 4 40.8 21.4 86 4 0 -4 24.059 48.118 0.265 9.53 2 9.1 0.5 87 4 2 -3 24.186 48.373 0.266 9.41 4 57.7 42.2 88 1 1 -4 24.238 48.477 0.266 9.37 4 17.4 3.8 89 3 3 0 24.423 48.847 0.268 9.21 4 60.8 45.8 90 2 1 3 24.544 49.089 0.27 9.1 4 13.1 2.1 91 0 0 4 24.715 49.429 0.271 8.96 2 35.8 7.7 92 1 2 3 24.799 49.598 0.272 8.89 4 11.3 1.5 93 6 0 -2 24.799 49.598 0.272 8.89 2 33.1 6.5 94 5 2 -1 24.855 49.71 0.273 8.85 4 19.7 4.6 95 3 3 -2 24.862 49.724 0.273 8.84 4 1.7 0.0 96 5 2 -2 24.945 49.889 0.274 8.77 4 38.0 17.0 97 4 1 -4 25.061 50.121 0.275 8.68 4 10.2 1.2 98 1 3 2 25.184 50.367 0.276 8.59 4 0.7 0.0 99 4 2 1 25.217 50.433 0.277 8.56 4 12.1 1.7 100 3 2 2 25.583 51.167 0.28 8.28 4 9.2 1.0 101 4 0 2 25.599 51.198 0.28 8.27 2 23.8 3.1 102 0 1 4 25.697 51.395 0.281 8.2 4 51.6 29.4 103 6 1 -2 25.779 51.559 0.282 8.14 4 24.8 6.7 104 5 0 -4 26.056 52.112 0.285 7.95 2 9.6 0.5 105 6 1 -1 26.152 52.304 0.286 7.88 4 57.8 35.4 106 4 3 -1 26.355 52.709 0.288 7.74 4 0.8 0.0 107 5 2 0 26.373 52.746 0.288 7.73 4 3.5 0.1 108 4 1 2 26.558 53.116 0.29 7.61 4 19.6 3.9 109 5 1 1 26.578 53.156 0.29 7.59 4 19.7 3.9 110 2 2 -4 26.584 53.167 0.29 7.59 4 9.8 1.0 111 3 3 1 26.625 53.25 0.291 7.56 4 7.4 0.5 112 5 2 -3 26.63 53.261 0.291 7.56 4 14.5 2.2 113 2 3 -3 26.744 53.488 0.292 7.49 4 9.4 0.9 114 3 2 -4 26.842 53.685 0.293 7.42 4 0.3 0.0 115 1 3 -3 26.859 53.717 0.293 7.41 4 51.0 26.0 116 4 3 -2 26.892 53.784 0.294 7.39 4 53.3 28.3 117 1 0 4 26.982 53.963 0.295 7.34 2 59.4 17.4 118 6 1 -3 26.984 53.967 0.295 7.34 4 0.1 0.0 119 5 1 -4 27.004 54.007 0.295 7.32 4 14.7 2.1 120 6 0 0 27.135 54.27 0.296 7.24 2 40.8 8.1 121 1 2 -4 27.147 54.294 0.296 7.24 4 24.3 5.7 122 2 3 2 27.348 54.695 0.298 7.12 4 30.6 8.9 123 4 3 0 27.374 54.748 0.298 7.1 4 1.6 0.0 124 0 4 0 27.379 54.757 0.299 7.1 2 26.6 3.4 125 2 2 3 27.43 54.859 0.299 7.07 4 47.6 21.5 126 3 3 -3 27.446 54.893 0.299 7.06 4 16.6 2.6 127 1 4 0 27.782 55.564 0.303 6.87 4 7.2 0.5 128 0 3 3 27.784 55.568 0.303 6.87 4 15.5 2.2 129 1 1 4 27.907 55.815 0.304 6.8 4 10.2 0.9 130 4 2 -4 27.908 55.816 0.304 6.8 4 27.6 7.0 131 3 1 3 27.999 55.999 0.305 6.75 4 6.8 0.4 132 6 1 0 28.058 56.115 0.305 6.71 4 25.1 5.7 133 1 4 -1 28.101 56.202 0.306 6.69 4 7.9 0.6 134 0 4 1 28.138 56.276 0.306 6.67 4 21.1 4.0 135 0 2 4 28.5 56.999 0.31 6.48 4 2.3 0.0 136 6 2 -2 28.576 57.152 0.31 6.44 4 23.6 4.8 137 6 0 -4 28.742 57.485 0.312 6.36 2 5.1 0.1 138 2 4 -1 28.854 57.708 0.313 6.3 4 13.2 1.5 139 6 2 -1 28.924 57.848 0.314 6.27 4 11.6 1.1 140 4 3 -3 28.926 57.852 0.314 6.27 4 6.4 0.3 141 1 4 1 28.963 57.927 0.314 6.25 4 16.9 2.4 142 2 4 0 28.97 57.939 0.314 6.25 4 16.3 2.2 143 7 0 -2 29.227 58.455 0.317 6.12 2 50.0 10.3 144 4 2 2 29.304 58.608 0.318 6.09 4 41.8 14.3 145 5 2 1 29.323 58.645 0.318 6.08 4 20.5 3.4 146 1 3 3 29.469 58.937 0.319 6.01 4 22.6 4.1 147 5 3 -1 29.519 59.037 0.32 5.99 4 5.5 0.2 148 3 1 -5 29.576 59.151 0.32 5.96 4 42.4 14.4 149 5 3 -2 29.598 59.197 0.321 5.95 4 20.9 3.5 150 6 1 -4 29.632 59.264 0.321 5.94 4 4.0 0.1 151 6 2 -3 29.703 59.406 0.322 5.9 4 11.4 1.0 152 5 2 -4 29.722 59.444 0.322 5.9 4 21.4 3.6 153 2 1 -5 29.755 59.51 0.322 5.88 4 12.4 1.2 154 4 3 1 29.841 59.682 0.323 5.84 4 8.7 0.6 155 1 4 -2 29.889 59.778 0.323 5.82 4 8.8 0.6 156 2 0 4 29.897 59.794 0.324 5.82 2 10.9 0.5 157 5 0 2 30.087 60.175 0.325 5.74 2 7.5 0.2 158 7 1 -2 30.108 60.216 0.326 5.73 4 12.5 1.2 159 4 1 -5 30.164 60.328 0.326 5.7 4 5.0 0.2 160 3 3 2 30.169 60.338 0.326 5.7 4 11.2 1.0 161 2 4 -2 30.2 60.4 0.327 5.69 4 37.7 10.9 162 0 4 2 30.342 60.683 0.328 5.63 4 4.5 0.2 163 3 4 -1 30.36 60.72 0.328 5.62 4 14.7 1.6 164 2 4 1 30.536 61.073 0.33 5.55 4 24.9 4.6 165 1 2 4 30.574 61.147 0.33 5.53 4 5.1 0.2 166 3 2 3 30.66 61.321 0.331 5.5 4 21.2 3.3 167 1 1 -5 30.693 61.386 0.331 5.49 4 19.5 2.8 168 6 2 0 30.715 61.431 0.332 5.48 4 19.5 2.8 169 2 1 4 30.766 61.532 0.332 5.46 4 14.9 1.6 170 7 1 -3 30.791 61.581 0.332 5.45 4 37.6 10.4 171 7 1 -1 30.857 61.715 0.333 5.42 4 5.8 0.2 172 5 3 0 30.88 61.76 0.333 5.41 4 36.7 9.8 173 3 4 0 30.884 61.769 0.333 5.41 4 3.2 0.1 174 5 1 2 30.953 61.906 0.334 5.39 4 10.7 0.8 175 2 3 -4 31.07 62.14 0.335 5.34 4 44.3 14.1 176 5 3 -3 31.113 62.225 0.335 5.32 4 10.7 0.8 177 3 4 -2 31.261 62.521 0.337 5.27 4 40.5 11.6 178 3 3 -4 31.305 62.61 0.337 5.25 4 7.0 0.4 179 6 1 1 31.31 62.62 0.337 5.25 4 14.4 1.5 180 5 1 -5 31.494 62.987 0.339 5.18 4 13.0 1.2 181 1 4 2 31.538 63.075 0.34 5.17 4 12.2 1.0 182 1 3 -4 31.582 63.163 0.34 5.15 4 20.4 2.9 183 2 3 3 31.839 63.678 0.342 5.06 4 17.6 2.1 184 4 1 3 31.935 63.87 0.343 5.03 4 21.3 3.1 185 7 0 -4 32.018 64.035 0.344 5.0 2 1.7 0.0 186 7 0 0 32.148 64.296 0.345 4.96 2 12.3 0.5 187 3 2 -5 32.156 64.312 0.345 4.95 4 20.6 2.8 188 6 2 -4 32.21 64.419 0.346 4.94 4 16.6 1.8 189 4 3 -4 32.276 64.552 0.347 4.91 4 43.5 12.5 190 2 2 -5 32.327 64.654 0.347 4.9 4 36.3 8.7 191 0 1 5 32.352 64.704 0.347 4.89 4 21.2 3.0 192 4 4 -1 32.557 65.114 0.349 4.82 4 9.0 0.5 193 7 2 -2 32.664 65.327 0.35 4.79 4 14.9 1.4 194 4 2 -5 32.717 65.435 0.351 4.77 4 27.9 5.0 195 3 4 1 32.794 65.589 0.352 4.75 4 1.7 0.0 196 0 3 4 32.82 65.64 0.352 4.74 4 21.6 3.0 197 7 1 -4 32.854 65.708 0.352 4.73 4 15.3 1.5 198 6 3 -2 32.89 65.781 0.352 4.72 4 50.8 16.4 199 2 4 -3 32.899 65.798 0.353 4.72 4 1.0 0.0 200 7 1 0 32.983 65.965 0.353 4.69 4 27.6 4.8 201 1 4 -3 33.0 66.001 0.354 4.68 4 14.4 1.3 202 4 4 -2 33.03 66.059 0.354 4.68 4 48.3 14.7 203 6 3 -1 33.211 66.422 0.356 4.62 4 1.6 0.0 204 1 2 -5 33.224 66.447 0.356 4.62 4 24.4 3.7 205 2 2 4 33.293 66.587 0.356 4.6 4 16.8 1.8 206 7 2 -3 33.317 66.634 0.357 4.59 4 5.9 0.2 207 3 0 4 33.374 66.747 0.357 4.57 2 11.5 0.4 208 7 2 -1 33.381 66.761 0.357 4.57 4 21.1 2.8 209 2 4 2 33.433 66.866 0.358 4.56 4 37.9 8.8 210 4 4 0 33.456 66.913 0.358 4.55 4 53.5 17.5 211 5 2 2 33.472 66.945 0.358 4.55 4 8.2 0.4 212 6 1 -5 33.516 67.031 0.358 4.53 4 19.2 2.2 213 3 4 -3 33.521 67.041 0.358 4.53 4 7.3 0.3 214 4 3 2 33.563 67.125 0.359 4.52 4 39.4 9.4 215 5 3 1 33.58 67.16 0.359 4.51 4 17.8 1.9 216 6 2 1 33.815 67.631 0.361 4.45 4 15.7 1.5 217 0 4 3 33.821 67.642 0.361 4.45 4 4.4 0.1 218 6 3 -3 33.933 67.866 0.362 4.42 4 10.4 0.6 219 5 3 -4 33.951 67.901 0.363 4.41 4 7.2 0.3 220 8 0 -2 33.985 67.97 0.363 4.4 2 45.6 6.2 221 5 2 -5 33.991 67.983 0.363 4.4 4 31.5 5.9 222 3 1 4 34.193 68.386 0.365 4.35 4 21.9 2.8 223 4 2 3 34.416 68.832 0.367 4.29 4 40.1 9.3 224 1 1 5 34.677 69.355 0.369 4.22 4 7.9 0.4 225 1 3 4 34.744 69.489 0.37 4.21 4 22.3 2.8 226 8 1 -2 34.797 69.595 0.37 4.19 4 25.8 3.8 227 0 2 5 34.818 69.635 0.371 4.19 4 62.5 22.0 228 3 3 3 34.826 69.652 0.371 4.19 4 14.1 1.1 229 4 4 -3 34.846 69.692 0.371 4.18 4 18.2 1.9 230 6 3 0 34.877 69.754 0.371 4.17 4 31.5 5.6 231 6 0 2 34.91 69.82 0.371 4.17 2 28.4 2.3 232 8 1 -3 35.048 70.095 0.373 4.13 4 5.2 0.2 233 3 0 -6 35.161 70.321 0.374 4.11 2 0.8 0.0 234 7 2 -4 35.303 70.605 0.375 4.07 4 9.4 0.5 235 4 0 -6 35.316 70.632 0.375 4.07 2 19.7 1.1 236 1 4 3 35.337 70.675 0.375 4.07 4 0.8 0.0 237 5 4 -1 35.383 70.765 0.376 4.06 4 17.1 1.6 238 7 2 0 35.427 70.853 0.376 4.05 4 9.1 0.5 239 1 5 0 35.439 70.879 0.376 4.04 4 15.2 1.3 240 5 4 -2 35.455 70.91 0.377 4.04 4 12.0 0.8 241 4 4 1 35.676 71.352 0.379 3.99 4 11.7 0.7 242 2 0 -6 35.707 71.414 0.379 3.98 2 40.5 4.4 243 6 1 2 35.713 71.426 0.379 3.98 4 12.6 0.8 244 1 5 -1 35.718 71.437 0.379 3.98 4 8.0 0.3 245 0 5 1 35.751 71.502 0.379 3.97 4 24.3 3.1 246 8 0 -4 35.82 71.639 0.38 3.96 2 28.8 2.2 247 8 1 -1 35.875 71.751 0.38 3.95 4 51.1 13.9 248 6 2 -5 35.943 71.885 0.381 3.93 4 45.0 10.7 249 3 1 -6 35.961 71.922 0.381 3.93 4 23.8 3.0 250 3 4 2 35.975 71.951 0.381 3.92 4 27.7 4.0 251 4 1 -6 36.115 72.229 0.383 3.9 4 11.7 0.7 252 5 0 -6 36.168 72.337 0.383 3.88 2 20.6 1.1 253 7 1 -5 36.177 72.353 0.383 3.88 4 13.5 0.9 254 3 3 -5 36.232 72.465 0.384 3.87 4 12.9 0.9 255 6 3 -4 36.283 72.566 0.384 3.86 4 39.2 8.0 256 5 1 3 36.316 72.632 0.384 3.85 4 12.0 0.8 257 7 1 1 36.361 72.722 0.385 3.84 4 11.3 0.7 258 2 5 -1 36.382 72.764 0.385 3.84 4 26.8 3.7 259 2 3 -5 36.394 72.788 0.385 3.84 4 9.2 0.4 260 1 5 1 36.479 72.957 0.386 3.82 4 4.4 0.1 261 2 5 0 36.484 72.968 0.386 3.82 4 10.5 0.6 262 2 1 -6 36.502 73.004 0.386 3.82 4 29.1 4.4 263 3 2 4 36.599 73.199 0.387 3.8 4 29.9 4.6 264 8 1 -4 36.614 73.228 0.387 3.79 4 41.7 8.9 265 5 4 0 36.627 73.254 0.387 3.79 4 22.9 2.7 266 7 3 -2 36.713 73.426 0.388 3.77 4 3.9 0.1 267 4 3 -5 36.764 73.527 0.389 3.76 4 19.2 1.9 268 2 4 -4 36.802 73.605 0.389 3.76 4 19.1 1.8 269 5 4 -3 36.841 73.683 0.389 3.75 4 10.5 0.6 270 1 0 -6 36.941 73.882 0.39 3.73 2 39.9 4.0 271 5 1 -6 36.96 73.919 0.39 3.73 4 26.9 3.6 272 3 4 -4 37.019 74.038 0.391 3.72 4 24.0 2.9 273 1 2 5 37.07 74.141 0.391 3.71 4 16.5 1.4 274 8 2 -2 37.187 74.374 0.392 3.69 4 1.1 0.0 275 1 3 -5 37.245 74.489 0.393 3.67 4 3.7 0.1 276 1 4 -4 37.275 74.55 0.393 3.67 4 5.9 0.2 277 1 5 -2 37.304 74.607 0.393 3.66 4 3.6 0.1 278 2 3 4 37.311 74.622 0.393 3.66 4 46.1 10.5 279 7 3 -3 37.333 74.667 0.394 3.66 4 19.8 1.9 280 4 0 4 37.365 74.73 0.394 3.65 2 39.6 3.9 281 7 3 -1 37.394 74.788 0.394 3.65 4 0.3 0.0 282 8 2 -3 37.431 74.861 0.395 3.64 4 32.7 5.2 283 8 0 0 37.454 74.908 0.395 3.64 2 57.0 8.0 284 5 3 2 37.481 74.963 0.395 3.63 4 23.7 2.8 285 2 4 3 37.513 75.027 0.395 3.63 4 20.5 2.1 286 2 5 -2 37.583 75.166 0.396 3.61 4 8.4 0.3 287 2 1 5 37.621 75.241 0.396 3.61 4 21.2 2.2 288 6 0 -6 37.699 75.398 0.397 3.59 2 30.9 2.3 289 0 5 2 37.71 75.42 0.397 3.59 4 1.6 0.0 290 1 1 -6 37.726 75.453 0.397 3.59 4 14.2 1.0 291 3 5 -1 37.727 75.454 0.397 3.59 4 10.5 0.5 292 6 3 1 37.808 75.617 0.398 3.58 4 22.6 2.5 293 2 5 1 37.886 75.772 0.399 3.56 4 55.0 14.5 294 4 4 -4 37.92 75.839 0.399 3.56 4 4.4 0.1 295 5 3 -5 37.977 75.954 0.399 3.55 4 4.9 0.1 296 6 2 2 38.079 76.159 0.4 3.53 4 9.9 0.5 297 4 1 4 38.147 76.295 0.401 3.52 4 13.6 0.9 298 3 5 0 38.201 76.401 0.401 3.51 4 28.4 3.8 299 8 1 0 38.235 76.471 0.402 3.51 4 5.5 0.1 300 8 2 -1 38.238 76.477 0.402 3.51 4 16.0 1.2 301 3 2 -6 38.322 76.644 0.403 3.49 4 7.0 0.2 302 4 3 3 38.383 76.766 0.403 3.48 4 11.9 0.7 303 0 4 4 38.427 76.854 0.403 3.48 4 15.6 1.1 304 4 2 -6 38.472 76.944 0.404 3.47 4 12.3 0.7 305 6 1 -6 38.479 76.958 0.404 3.47 4 5.3 0.1 306 6 4 -2 38.493 76.986 0.404 3.47 4 39.9 7.4 307 7 2 -5 38.532 77.065 0.404 3.46 4 28.0 3.6 308 3 5 -2 38.542 77.085 0.404 3.46 4 22.5 2.4 309 5 2 3 38.669 77.338 0.406 3.44 4 10.3 0.5 310 7 2 1 38.713 77.425 0.406 3.43 4 20.2 1.9 311 0 3 5 38.768 77.537 0.406 3.42 4 0.3 0.0 312 6 4 -1 38.794 77.588 0.407 3.42 4 7.6 0.3 313 1 5 2 38.795 77.59 0.407 3.42 4 19.2 1.7 314 0 0 6 38.84 77.68 0.407 3.41 2 29.0 1.9 315 2 2 -6 38.851 77.702 0.407 3.41 4 15.3 1.1 316 8 2 -4 38.961 77.921 0.408 3.4 4 2.1 0.0 317 9 0 -2 39.118 78.235 0.41 3.37 2 63.5 9.1 318 4 4 2 39.124 78.248 0.41 3.37 4 57.6 15.1 319 5 4 1 39.14 78.281 0.41 3.37 4 4.7 0.1 320 7 3 -4 39.234 78.469 0.411 3.36 4 20.3 1.9 321 5 2 -6 39.299 78.598 0.411 3.35 4 26.8 3.2 322 7 3 0 39.354 78.708 0.412 3.34 4 5.3 0.1 323 8 1 -5 39.437 78.874 0.412 3.33 4 1.6 0.0 324 6 4 -3 39.473 78.946 0.413 3.32 4 15.7 1.1 325 5 4 -4 39.49 78.98 0.413 3.32 4 65.6 19.3 326 0 1 6 39.613 79.226 0.414 3.3 4 25.2 2.8 327 4 5 -1 39.731 79.461 0.415 3.29 4 47.2 9.9 328 9 1 -3 39.76 79.52 0.415 3.29 4 27.5 3.3 329 6 3 -5 39.852 79.703 0.416 3.27 4 7.8 0.3 330 7 0 -6 39.883 79.767 0.416 3.27 2 15.9 0.6 331 9 1 -2 39.889 79.778 0.416 3.27 4 32.5 4.6 332 2 2 5 39.948 79.896 0.417 3.26 4 25.6 2.9 333 3 5 1 39.95 79.9 0.417 3.26 4 7.5 0.2 334 2 5 -3 40.047 80.094 0.418 3.25 4 19.1 1.6 335 1 2 -6 40.052 80.103 0.418 3.25 4 28.8 3.6 336 7 0 2 40.121 80.243 0.418 3.24 2 23.1 1.2 337 9 0 -4 40.133 80.267 0.418 3.24 2 38.4 3.2 338 1 5 -3 40.141 80.281 0.418 3.24 4 31.7 4.4 339 4 5 -2 40.168 80.336 0.419 3.23 4 11.5 0.6 340 1 4 4 40.241 80.483 0.419 3.22 4 24.1 2.5 341 3 4 3 40.319 80.637 0.42 3.22 4 15.0 1.0 342 6 4 0 40.367 80.735 0.42 3.21 4 40.1 6.9 343 4 2 4 40.465 80.931 0.421 3.2 4 11.2 0.5 344 3 3 4 40.487 80.974 0.421 3.2 4 11.3 0.6 345 2 5 2 40.542 81.085 0.422 3.19 4 7.2 0.2 346 8 2 0 40.552 81.104 0.422 3.19 4 15.8 1.1 347 4 5 0 40.564 81.128 0.422 3.19 4 18.1 1.4 348 3 5 -3 40.624 81.248 0.423 3.18 4 18.9 1.5 349 7 1 -6 40.651 81.302 0.423 3.18 4 8.4 0.3 350 6 2 -6 40.792 81.584 0.424 3.16 4 12.3 0.6 351 7 1 2 40.888 81.776 0.425 3.15 4 30.4 3.9 352 9 1 -4 40.9 81.8 0.425 3.15 4 9.8 0.4 353 0 5 3 40.905 81.809 0.425 3.15 4 10.0 0.4 354 1 3 5 40.944 81.889 0.425 3.14 4 2.2 0.0 355 8 3 -2 41.058 82.116 0.426 3.13 4 0.3 0.0 356 3 1 5 41.155 82.311 0.427 3.12 4 14.5 0.9 357 6 1 3 41.164 82.329 0.427 3.12 4 26.7 3.0 358 9 1 -1 41.285 82.57 0.428 3.11 4 8.0 0.3 359 8 3 -3 41.295 82.589 0.428 3.11 4 14.2 0.8 360 1 0 6 41.38 82.76 0.429 3.1 2 15.2 0.5 361 3 4 -5 41.662 83.324 0.431 3.07 4 6.7 0.2 362 6 4 -4 41.711 83.421 0.432 3.07 4 0.0 0.0 363 8 2 -5 41.737 83.474 0.432 3.06 4 31.1 4.0 364 8 1 1 41.813 83.625 0.433 3.06 4 21.0 1.8 365 2 4 -5 41.817 83.635 0.433 3.06 4 18.8 1.5 366 4 5 -3 41.867 83.734 0.433 3.05 4 30.4 3.8 367 5 0 4 41.876 83.752 0.433 3.05 2 24.2 1.2 368 0 2 6 41.911 83.821 0.434 3.05 4 14.3 0.8 369 6 3 2 41.927 83.854 0.434 3.04 4 16.4 1.1 370 9 2 -3 42.056 84.112 0.435 3.03 4 14.7 0.9 371 8 3 -1 42.082 84.165 0.435 3.03 4 15.4 1.0 372 7 4 -2 42.124 84.248 0.435 3.03 4 12.1 0.6 373 1 1 6 42.142 84.285 0.436 3.03 4 17.9 1.3 374 3 3 -6 42.164 84.328 0.436 3.02 4 37.1 5.6 375 4 4 -5 42.173 84.346 0.436 3.02 4 28.4 3.3 376 9 2 -2 42.184 84.367 0.436 3.02 4 1.1 0.0 377 4 3 -6 42.311 84.622 0.437 3.01 4 46.0 8.6 378 1 5 3 42.331 84.663 0.437 3.01 4 25.8 2.7 379 7 3 -5 42.37 84.74 0.437 3.01 4 5.4 0.1 380 5 5 -1 42.374 84.749 0.437 3.0 4 27.6 3.1 381 5 5 -2 42.443 84.886 0.438 3.0 4 28.8 3.4 382 5 3 3 42.504 85.007 0.439 2.99 4 8.3 0.3 383 7 3 1 42.547 85.093 0.439 2.99 4 7.7 0.2 384 5 1 4 42.637 85.274 0.44 2.98 4 4.2 0.1 385 1 4 -5 42.637 85.275 0.44 2.98 4 15.0 0.9 386 4 5 1 42.653 85.306 0.44 2.98 4 42.2 7.1 387 2 3 -6 42.682 85.364 0.44 2.98 4 2.2 0.0 388 2 4 4 42.702 85.403 0.44 2.98 4 9.2 0.3 389 8 0 -6 42.703 85.406 0.44 2.98 2 33.8 2.3 390 7 4 -3 42.723 85.447 0.44 2.98 4 14.6 0.9 391 7 4 -1 42.782 85.564 0.441 2.97 4 3.7 0.1 392 8 3 -4 42.79 85.579 0.441 2.97 4 14.4 0.8 393 5 4 2 42.867 85.733 0.442 2.96 4 28.0 3.1 394 3 5 2 42.938 85.876 0.442 2.96 4 20.6 1.7 395 7 2 -6 42.938 85.876 0.442 2.96 4 14.2 0.8 396 4 1 -7 42.945 85.89 0.442 2.96 4 25.8 2.7 397 5 3 -6 43.122 86.244 0.444 2.94 4 42.2 7.1 398 3 1 -7 43.161 86.322 0.444 2.94 4 22.7 2.0 399 9 0 0 43.168 86.336 0.444 2.94 2 2.9 0.0 400 7 2 2 43.173 86.346 0.444 2.94 4 6.6 0.2 401 6 4 1 43.184 86.367 0.444 2.94 4 5.3 0.1 402 9 2 -4 43.185 86.369 0.444 2.94 4 24.4 2.4 403 9 1 -5 43.29 86.58 0.445 2.93 4 15.1 0.9 404 5 4 -5 43.347 86.694 0.446 2.93 4 7.9 0.2 405 5 1 -7 43.392 86.784 0.446 2.93 4 14.0 0.8 406 3 2 5 43.438 86.876 0.446 2.92 4 37.5 5.5 407 6 2 3 43.447 86.894 0.446 2.92 4 50.7 10.1 408 8 1 -6 43.462 86.924 0.447 2.92 4 23.8 2.2 409 5 5 0 43.561 87.122 0.447 2.91 4 23.8 2.2 410 9 2 -1 43.567 87.133 0.447 2.91 4 26.9 2.8 411 0 6 0 43.615 87.229 0.448 2.91 2 44.6 3.9 412 2 5 -4 43.729 87.458 0.449 2.9 4 4.8 0.1 413 4 4 3 43.742 87.484 0.449 2.9 4 25.6 2.6 414 2 3 5 43.76 87.52 0.449 2.9 4 2.6 0.0 415 5 5 -3 43.767 87.533 0.449 2.9 4 34.1 4.5 416 1 3 -6 43.862 87.725 0.45 2.89 4 29.8 3.5 417 9 1 0 43.926 87.852 0.45 2.89 4 24.8 2.4 418 3 5 -4 43.937 87.874 0.45 2.89 4 6.9 0.2 419 1 6 0 43.946 87.892 0.45 2.89 4 0.6 0.0 420 2 1 -7 44.04 88.08 0.451 2.88 4 13.0 0.7 421 8 2 1 44.091 88.182 0.452 2.88 4 32.4 4.1 422 0 4 5 44.118 88.237 0.452 2.88 4 22.0 1.9 423 1 5 -4 44.184 88.368 0.452 2.87 4 15.3 0.9 424 1 6 -1 44.21 88.42 0.453 2.87 4 26.0 2.6 425 0 6 1 44.241 88.482 0.453 2.87 4 0.9 0.0 426 4 3 4 44.271 88.542 0.453 2.87 4 55.2 11.7 427 8 3 0 44.356 88.713 0.454 2.86 4 14.3 0.8 428 2 5 3 44.414 88.828 0.454 2.86 4 5.2 0.1 429 1 2 6 44.419 88.838 0.454 2.86 4 11.8 0.5 430 6 1 -7 44.502 89.003 0.455 2.85 4 35.1 4.7 431 2 0 6 44.554 89.108 0.455 2.85 2 39.5 3.0 432 7 4 -4 44.574 89.149 0.456 2.85 4 26.8 2.7 433 6 3 -6 44.594 89.187 0.456 2.85 4 43.7 7.3 434 7 4 0 44.692 89.383 0.457 2.84 4 11.7 0.5 435 10 0 -2 44.726 89.451 0.457 2.84 2 46.4 4.1 436 4 5 -4 44.807 89.615 0.457 2.84 4 17.9 1.2 437 2 6 -1 44.842 89.683 0.458 2.84 4 4.4 0.1 438 5 2 4 44.912 89.823 0.458 2.83 4 14.4 0.8 439 1 6 1 44.934 89.868 0.458 2.83 4 6.0 0.1 440 2 6 0 44.939 89.879 0.459 2.83 4 25.2 2.4 441 10 1 -3 44.994 89.988 0.459 2.83 4 21.7 1.8 442 10 0 -4 45.0 89.999 0.459 2.83 2 8.4 0.1 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 0 0 4.36 8.719 10.13323 4.0 1.0 1.0 5.6 2 1 1 0 7.922 15.844 5.58882 307.8 78.8 78.9 5.6 3 2 0 0 8.745 17.489 5.06662 390.6 100.0 100.0 5.6 4 1 1 -1 8.838 17.676 5.01356 56.4 14.5 14.4 5.6 5 0 1 1 8.939 17.878 4.95741 241.7 61.9 61.9 5.6 6 2 1 -1 10.724 21.448 4.13963 166.6 42.6 42.5 5.6 7 1 1 1 10.974 21.948 4.04642 76.0 19.5 19.4 5.6 8 1 0 -2 11.067 22.134 4.01277 103.7 26.6 26.5 5.6 9 2 0 -2 11.762 23.523 3.77887 191.8 49.1 48.9 5.6 10 0 0 2 12.067 24.133 3.68469 32.7 8.4 8.3 5.6 11 1 1 -2 12.93 25.859 3.44256 74.0 18.9 18.8 5.6 12 3 0 0 13.182 26.364 3.37774 84.5 21.6 21.5 5.6 13 0 1 2 13.803 27.605 3.22865 172.4 44.1 43.8 5.6 14 3 1 -1 13.837 27.674 3.22072 90.4 23.1 23.0 5.6 15 3 0 -2 13.912 27.825 3.20368 115.4 29.5 29.3 5.6 16 2 1 1 14.165 28.331 3.14759 223.6 57.2 56.8 5.6 17 1 2 -1 14.567 29.134 3.06262 208.2 53.3 52.8 5.6 18 0 2 1 14.63 29.26 3.04968 67.0 17.1 17.0 5.6 19 3 1 0 14.796 29.593 3.01613 8.6 2.2 2.2 5.6 20 3 1 -2 15.457 30.913 2.89026 23.1 5.9 5.9 5.6 21 2 2 -1 15.815 31.631 2.82634 107.2 27.5 27.2 5.6 22 1 1 2 15.93 31.86 2.80651 99.6 25.5 25.2 5.6 23 2 2 0 16.001 32.002 2.79441 44.7 11.4 11.3 5.6 24 1 2 -2 17.429 34.859 2.57164 7.1 1.8 1.8 5.7 25 4 1 -1 17.59 35.181 2.54882 161.7 41.4 40.8 5.7 26 2 2 -2 17.895 35.791 2.50678 5.9 1.5 1.5 5.7 27 0 2 2 18.105 36.21 2.4787 69.5 17.8 17.5 5.7 28 1 1 -3 18.279 36.559 2.45587 15.0 3.8 3.8 5.7 29 2 2 1 18.391 36.782 2.44145 35.1 9.0 8.9 5.7 30 2 1 2 18.935 37.87 2.37378 7.5 1.9 1.9 5.7 31 3 1 -3 19.066 38.132 2.35806 10.3 2.6 2.6 5.7 32 3 2 -2 19.432 38.864 2.31534 16.6 4.3 4.2 5.7 33 0 1 3 19.511 39.022 2.30633 55.9 14.3 14.1 5.7 34 1 2 2 19.821 39.643 2.27161 9.8 2.5 2.5 5.7 35 1 3 0 20.682 41.364 2.18099 4.7 1.2 1.2 5.7 36 0 3 1 21.124 42.249 2.13734 10.0 2.5 2.5 5.7 37 4 2 -1 21.218 42.436 2.12834 4.0 1.0 1.0 5.7 38 2 2 -3 21.675 43.35 2.08554 23.7 6.1 5.9 5.7 39 5 1 -1 21.726 43.451 2.08093 22.4 5.7 5.6 5.7 40 4 2 -2 21.848 43.696 2.06981 26.3 6.7 6.6 5.7 41 4 2 0 22.409 44.818 2.02061 51.0 13.1 12.8 5.7 42 3 1 2 22.53 45.061 2.01027 20.9 5.4 5.2 5.7 43 2 0 -4 22.576 45.153 2.00639 8.6 2.2 2.1 5.7 44 0 2 3 22.882 45.765 1.98096 10.6 2.7 2.6 5.7 45 1 0 -4 23.21 46.42 1.9545 10.0 2.6 2.5 5.7 46 1 3 -2 23.249 46.497 1.95145 15.3 3.9 3.8 5.7 47 5 1 0 23.396 46.792 1.93984 4.0 1.0 1.0 5.7 48 2 1 -4 23.626 47.251 1.92205 66.3 17.0 16.5 5.7 49 0 3 2 23.785 47.57 1.9099 8.0 2.0 2.0 5.7 50 2 3 1 24.015 48.03 1.8927 21.4 5.5 5.3 5.7 51 4 2 -3 24.186 48.373 1.88009 42.2 10.8 10.5 5.7 52 3 3 0 24.423 48.847 1.86294 45.8 11.7 11.4 5.7 53 0 0 4 24.715 49.429 1.84234 7.7 2.0 1.9 5.7 54 6 0 -2 24.799 49.598 1.83646 8.1 2.1 2.0 5.7 55 5 2 -1 24.855 49.71 1.83259 4.7 1.2 1.2 5.7 56 5 2 -2 24.945 49.889 1.82642 17.0 4.4 4.2 5.7 57 0 1 4 25.697 51.395 1.77641 29.4 7.5 7.3 5.8 58 6 1 -2 25.779 51.559 1.77113 6.7 1.7 1.7 5.8 59 6 1 -1 26.152 52.304 1.74764 35.4 9.1 8.8 5.8 60 5 1 1 26.578 53.156 1.72162 8.8 2.3 2.2 5.8 61 1 3 -3 26.859 53.717 1.70495 26.0 6.6 6.4 5.8 62 4 3 -2 26.892 53.784 1.703 28.3 7.2 7.0 5.8 63 1 0 4 26.982 53.963 1.69775 19.6 5.0 4.8 5.8 64 6 0 0 27.135 54.27 1.68887 13.8 3.5 3.4 5.8 65 2 3 2 27.348 54.695 1.67676 9.0 2.3 2.2 5.8 66 2 2 3 27.43 54.859 1.67212 24.1 6.2 6.0 5.8 67 4 2 -4 27.908 55.816 1.64572 7.0 1.8 1.7 5.8 68 6 1 0 28.058 56.115 1.63765 5.7 1.5 1.4 5.8 69 0 4 1 28.138 56.276 1.63334 4.0 1.0 1.0 5.8 70 6 2 -2 28.576 57.152 1.61036 4.8 1.2 1.2 5.8 71 1 4 1 28.963 57.927 1.59066 4.6 1.2 1.1 5.8 72 7 0 -2 29.227 58.455 1.57755 10.3 2.6 2.5 5.8 73 4 2 2 29.304 58.608 1.57379 17.8 4.6 4.4 5.8 74 1 3 3 29.469 58.937 1.56578 4.1 1.1 1.0 5.8 75 3 1 -5 29.576 59.151 1.56062 17.9 4.6 4.4 5.8 76 5 2 -4 29.722 59.444 1.55363 4.7 1.2 1.1 5.8 77 2 4 -2 30.2 60.4 1.53131 10.9 2.8 2.7 5.8 78 2 4 1 30.536 61.073 1.51605 4.6 1.2 1.1 5.8 79 1 1 -5 30.693 61.386 1.50905 5.6 1.4 1.4 5.8 80 7 1 -3 30.791 61.581 1.50474 12.0 3.1 2.9 5.8 81 5 3 0 30.88 61.76 1.50082 9.9 2.5 2.4 5.8 82 2 3 -4 31.07 62.14 1.49254 14.1 3.6 3.4 5.8 83 3 4 -2 31.261 62.521 1.48436 11.6 3.0 2.8 5.8 84 4 3 -4 32.276 64.552 1.44247 12.5 3.2 3.0 5.9 85 2 2 -5 32.327 64.654 1.44045 11.6 3.0 2.8 5.9 86 4 2 -5 32.717 65.435 1.42514 5.0 1.3 1.2 5.9 87 6 3 -2 32.89 65.781 1.41848 16.4 4.2 4.0 5.9 88 7 1 0 32.983 65.965 1.41495 6.1 1.6 1.5 5.9 89 4 4 -2 33.03 66.059 1.41317 14.7 3.8 3.6 5.9 90 4 4 0 33.456 66.913 1.39721 26.3 6.7 6.4 5.9 91 4 3 2 33.563 67.125 1.3933 11.4 2.9 2.8 5.9 92 8 0 -2 33.985 67.97 1.37802 12.0 3.1 2.9 5.9 93 4 2 3 34.416 68.832 1.36286 9.3 2.4 2.2 5.9 94 0 2 5 34.818 69.635 1.34908 28.8 7.4 6.9 5.9 95 6 3 0 34.877 69.754 1.34707 5.6 1.4 1.3 5.9 96 2 0 -6 35.707 71.414 1.31979 5.6 1.4 1.3 5.9 97 8 1 -1 35.875 71.751 1.31441 13.9 3.6 3.3 5.9 98 6 2 -5 35.943 71.885 1.31229 13.7 3.5 3.3 5.9 99 3 4 2 35.975 71.951 1.31126 4.0 1.0 1.0 5.9 100 6 3 -4 36.283 72.566 1.30165 8.0 2.0 1.9 6.0 101 2 5 -1 36.382 72.764 1.2986 4.1 1.1 1.0 6.0 102 2 1 -6 36.502 73.004 1.29491 4.4 1.1 1.0 6.0 103 8 1 -4 36.614 73.228 1.2915 16.1 4.1 3.9 6.0 104 1 0 -6 36.941 73.882 1.28168 7.6 1.9 1.8 6.0 105 2 3 4 37.311 74.622 1.2708 12.4 3.2 3.0 6.0 106 8 0 0 37.454 74.908 1.26665 16.0 4.1 3.8 6.0 107 2 5 1 37.886 75.772 1.25434 14.5 3.7 3.5 6.0 108 6 4 -2 38.493 76.986 1.23756 7.4 1.9 1.8 6.0 109 7 2 -5 38.532 77.065 1.23649 6.0 1.5 1.4 6.0 110 4 4 2 39.124 78.248 1.22073 24.3 6.2 5.8 6.0 111 5 4 -4 39.49 78.98 1.21125 20.4 5.2 4.8 6.0 112 4 5 -1 39.731 79.461 1.20511 13.2 3.4 3.1 6.0 113 9 1 -2 39.889 79.778 1.20111 4.6 1.2 1.1 6.0 114 1 2 -6 40.052 80.103 1.19706 5.2 1.3 1.2 6.0 115 1 5 -3 40.141 80.281 1.19485 8.8 2.2 2.1 6.0 116 6 4 0 40.367 80.735 1.18928 6.9 1.8 1.6 6.1 117 7 1 2 40.888 81.776 1.17674 4.7 1.2 1.1 6.1 118 8 2 -5 41.737 83.474 1.15708 4.0 1.0 0.9 6.1 119 4 5 -3 41.867 83.734 1.15415 5.0 1.3 1.2 6.1 120 3 3 -6 42.164 84.328 1.14752 10.2 2.6 2.4 6.1 121 4 3 -6 42.311 84.622 1.14429 11.3 2.9 2.6 6.1 122 4 5 1 42.653 85.306 1.13685 7.2 1.8 1.7 6.1 123 4 1 -7 42.945 85.89 1.13061 5.1 1.3 1.2 6.1 124 5 3 -6 43.122 86.244 1.12688 7.1 1.8 1.6 6.1 125 9 2 -4 43.185 86.369 1.12556 4.7 1.2 1.1 6.1 126 6 2 3 43.447 86.894 1.12011 17.9 4.6 4.2 6.1 127 9 2 -1 43.567 87.133 1.11765 5.1 1.3 1.2 6.2 128 5 5 -3 43.767 87.533 1.11357 7.1 1.8 1.6 6.2 129 8 2 1 44.091 88.182 1.10704 5.9 1.5 1.4 6.2 130 4 3 4 44.271 88.542 1.10347 11.7 3.0 2.7 6.2 131 6 1 -7 44.502 89.003 1.09894 4.7 1.2 1.1 6.2 132 2 0 6 44.554 89.108 1.09792 5.7 1.5 1.3 6.2 133 6 3 -6 44.594 89.187 1.09715 7.3 1.9 1.7 6.2 134 10 0 -2 44.726 89.451 1.0946 4.1 1.1 0.9 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) |