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 *** *********************** CHALCANTHITE 3, f-chalkanthite CuSO(4).5H(2)O Triclinic P 1(-) Z = 2 R =0.037 NR =1103 10 .2 .1993 Ref.Str.: Bacon G.E., Titterton D.H. (1975) * Z. Kristallogr., Bd.141, 330-341 Reserv: D.T.N. Initial data from BDM-file Lattice parameters (cub. angs.,degr.): a = 6.141 alpha = 82.27 b = 10.736 beta = 107.43 c = 5.986 gamma = 102.67 Unit cell volume (cub. angs.) = 366.36 Molar volume ( cub.cm/mol.) = 110.34 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 0.0 Cu = 1.00 2 0.5 0.5 0.0 0.0 Cu = 1.00 3 0.0133 0.2871 0.6253 0.0 S = 1.00 4 0.9072 0.152 0.6734 0.0 O = 1.00 5 0.2442 0.3172 0.796 0.0 O = 1.00 6 0.8601 0.3724 0.6363 0.0 O = 1.00 7 0.0444 0.3022 0.3849 0.0 O = 1.00 8 0.8176 0.0737 0.1519 0.0 O = 1.00 9 0.2887 0.1177 0.149 0.0 O = 1.00 10 0.4654 0.4063 0.2975 0.0 O = 1.00 11 0.756 0.4161 0.0191 0.0 O = 1.00 12 0.435 0.1263 0.6289 0.0 O = 1.00 13 0.898 0.1412 0.2547 0.0 H = 1.00 14 0.7185 0.0126 0.2283 0.0 H = 1.00 15 0.301 0.2016 0.0667 0.0 H = 1.00 16 0.3341 0.127 0.3188 0.0 H = 1.00 17 0.3231 0.3785 0.3406 0.0 H = 1.00 18 0.6016 0.3937 0.4256 0.0 H = 1.00 19 0.8012 0.4011 0.8847 0.0 H = 1.00 20 0.857 0.3845 0.162 0.0 H = 1.00 21 0.6033 0.1321 0.6671 0.0 H = 1.00 22 0.4108 0.1932 0.6922 0.0 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 0.5 0.5 0.0 3 3 0.0133 0.2871 0.6253 4 4 0.9072 0.152 0.6734 5 5 0.2442 0.3172 0.796 6 6 0.8601 0.3724 0.6363 7 7 0.0444 0.3022 0.3849 8 8 0.8176 0.0737 0.1519 9 9 0.2887 0.1177 0.149 10 10 0.4654 0.4063 0.2975 11 11 0.756 0.4161 0.0191 12 12 0.435 0.1263 0.6289 13 13 0.898 0.1412 0.2547 14 14 0.7185 0.0126 0.2283 15 15 0.301 0.2016 0.0667 16 16 0.3341 0.127 0.3188 17 17 0.3231 0.3785 0.3406 18 18 0.6016 0.3937 0.4256 19 19 0.8012 0.4011 0.8847 20 20 0.857 0.3845 0.162 21 21 0.6033 0.1321 0.6671 22 22 0.4108 0.1932 0.6922 23 3 0.9867 0.7129 0.3747 24 4 0.0928 0.848 0.3266 25 5 0.7558 0.6828 0.204 26 6 0.1399 0.6276 0.3637 27 7 0.9556 0.6978 0.6151 28 8 0.1824 0.9263 0.8481 29 9 0.7113 0.8823 0.851 30 10 0.5346 0.5937 0.7025 31 11 0.244 0.5839 0.9809 32 12 0.565 0.8737 0.3711 33 13 0.102 0.8588 0.7453 34 14 0.2815 0.9874 0.7717 35 15 0.699 0.7984 0.9333 36 16 0.6659 0.873 0.6812 37 17 0.6769 0.6215 0.6594 38 18 0.3984 0.6063 0.5744 39 19 0.1988 0.5989 0.1153 40 20 0.143 0.6155 0.838 41 21 0.3967 0.8679 0.3329 42 22 0.5892 0.8068 0.3078 X-ray density (g/cm cub.) = 2.26 MU (1/cm) = 71.395 Mass attenuation coefficient (cm**2/g) = 31.554 Selected interatomic distances (cation-anion,anion-anion): NoP Atom Rad.sph. C.N. Distance NoP N. (angs.) (angs.) 1 Cu 2.808 6 2.3858 4 1.9748 8 1.977 9 2.3858 4 1.9748 8 1.977 9 2 Cu 2.808 6 2.44 5 1.9696 10 1.9447 11 2.44 5 1.9696 10 1.9447 11 3 S 1.98 4 1.4821 4 1.4761 5 1.4695 6 1.4906 7 4 O 3.264 9 2.4077 5 2.4192 6 2.4123 7 3.0508 8 3.1982 8 3.1353 9 2.786 12 3.1428 8 3.0613 9 5 O 3.264 9 2.4077 4 2.437 6 2.4079 7 2.7965 9 3.0873 10 3.0318 11 2.9801 12 3.1834 10 3.206 11 6 O 3.264 5 2.4192 4 2.437 5 2.4111 7 2.7137 10 2.6791 11 7 O 3.264 7 2.4123 4 2.4079 5 2.4111 6 2.8568 8 2.7554 10 2.708 11 3.2557 12 8 O 3.264 7 3.1982 4 3.0508 4 2.8568 7 2.8322 9 3.1428 4 2.756 9 2.7819 12 9 O 3.264 7 3.1353 4 2.7965 5 2.8322 8 3.2025 10 2.749 12 3.0613 4 2.756 8 10 O 3.264 8 3.0873 5 2.7137 6 2.7554 7 3.2025 9 2.7614 11 3.1834 5 3.2289 10 2.7744 11 11 O 3.264 7 3.0318 5 2.6791 6 2.708 7 2.7614 10 3.206 5 2.7744 10 3.1953 11 12 O 3.264 5 2.786 4 2.9801 5 3.2557 7 2.749 9 2.7819 8 13 H 1.632 1 0.9636 8 14 H 1.632 1 0.9595 8 15 H 1.632 1 0.9658 9 16 H 1.632 1 0.9829 9 17 H 1.632 1 0.9588 10 18 H 1.632 1 0.9713 10 19 H 1.632 1 0.9687 11 20 H 1.632 1 0.9633 11 21 H 1.632 1 0.979 12 22 H 1.632 1 0.9139 12 X-ray diffraction powder data (II), X-Ray W.L. = 1.54056(angs.): No H K L Theta 2*Theta S LPG MF F I int. ( degree ) *100 1 0 1 0 4.229 8.458 0.048 364.83 2 9.5 49.3 2 1 0 0 7.695 15.389 0.087 108.61 2 37.6 228.7 3 0 0 1 7.773 15.545 0.088 106.4 2 24.1 91.7 4 -1 1 0 8.053 16.106 0.091 98.97 2 51.6 393.0 5 0 2 0 8.481 16.962 0.096 89.01 2 21.0 58.5 6 0 1 1 8.579 17.159 0.097 86.93 2 32.3 135.3 7 0 -1 1 9.135 18.269 0.103 76.43 2 18.5 38.9 8 -1 0 1 9.298 18.595 0.105 73.69 2 23.0 58.3 9 -1 1 1 9.338 18.675 0.105 73.04 2 82.2 735.2 10 1 1 0 9.476 18.952 0.107 70.86 2 36.5 140.4 11 -1 2 0 10.337 20.674 0.116 59.21 2 30.0 79.6 12 -1 -1 1 11.053 22.105 0.124 51.52 2 36.6 102.9 13 0 2 1 11.104 22.208 0.125 51.02 2 78.8 471.8 14 -1 2 1 11.154 22.309 0.126 50.55 2 13.9 14.5 15 0 -2 1 11.966 23.933 0.135 43.64 2 92.0 550.3 16 1 0 1 12.43 24.861 0.14 40.3 2 22.0 29.1 17 1 2 0 12.542 25.084 0.141 39.54 2 48.8 140.4 18 0 3 0 12.781 25.561 0.144 38.01 2 23.4 31.1 19 1 -1 1 12.856 25.712 0.144 37.54 2 40.3 90.8 20 1 1 1 13.442 26.884 0.151 34.16 2 84.4 362.6 21 -1 3 0 13.644 27.289 0.153 33.1 2 54.2 144.6 22 -1 -2 1 13.97 27.94 0.157 31.48 2 43.7 89.6 23 -1 3 1 14.106 28.212 0.158 30.84 2 0.7 0.0 24 0 3 1 14.514 29.027 0.163 29.02 2 44.7 86.5 25 1 -2 1 14.602 29.203 0.164 28.65 2 59.6 151.6 26 -2 1 1 14.915 29.831 0.167 27.38 2 15.5 9.9 27 -1 1 2 15.298 30.595 0.171 25.93 2 15.4 9.2 28 -2 1 0 15.304 30.608 0.171 25.91 2 36.2 50.6 29 -2 0 1 15.316 30.631 0.171 25.86 2 9.7 3.6 30 -1 0 2 15.438 30.876 0.173 25.43 2 18.0 12.3 31 0 -3 1 15.526 31.052 0.174 25.12 2 17.1 11.0 32 2 0 0 15.532 31.065 0.174 25.09 2 57.7 124.4 33 1 2 1 15.633 31.266 0.175 24.75 2 2.9 0.3 34 0 0 2 15.693 31.386 0.176 24.54 2 19.6 14.0 35 -2 2 1 15.742 31.485 0.176 24.38 2 92.5 311.1 36 0 1 2 15.965 31.93 0.179 23.65 2 52.8 98.4 37 1 3 0 16.226 32.453 0.181 22.84 2 104.1 368.6 38 -2 2 0 16.271 32.542 0.182 22.7 2 5.2 0.9 39 -1 2 2 16.349 32.697 0.183 22.47 2 47.3 74.8 40 0 -1 2 16.593 33.186 0.185 21.76 2 31.2 31.5 41 -1 -1 2 16.742 33.485 0.187 21.34 2 80.1 204.0 42 -2 -1 1 16.864 33.728 0.188 21.0 2 9.3 2.7 43 2 1 0 16.912 33.824 0.189 20.87 2 19.9 12.3 44 0 4 0 17.155 34.31 0.191 20.24 2 4.6 0.6 45 1 -3 1 17.304 34.609 0.193 19.86 2 31.4 29.2 46 0 2 2 17.359 34.718 0.194 19.72 2 16.4 7.9 47 -1 4 0 17.455 34.909 0.195 19.49 2 40.8 48.3 48 -1 -3 1 17.526 35.051 0.195 19.31 2 21.6 13.4 49 -2 3 1 17.641 35.283 0.197 19.04 2 5.0 0.7 50 -1 4 1 17.681 35.363 0.197 18.94 2 35.5 35.5 51 -2 3 0 18.263 36.526 0.203 17.65 2 35.8 33.6 52 0 4 1 18.377 36.754 0.205 17.41 2 51.7 69.3 53 -2 1 2 18.379 36.759 0.205 17.4 2 1.7 0.1 54 -1 3 2 18.409 36.819 0.205 17.34 2 24.6 15.6 55 0 -2 2 18.512 37.024 0.206 17.13 2 87.7 196.3 56 1 3 1 18.631 37.263 0.207 16.89 2 53.3 71.5 57 -2 0 2 18.852 37.704 0.21 16.46 2 1.1 0.0 58 -2 2 2 18.936 37.871 0.211 16.3 2 45.3 49.8 59 -1 -2 2 18.999 37.998 0.211 16.18 2 37.7 34.3 60 2 2 0 19.224 38.449 0.214 15.76 2 36.6 31.5 61 -2 -2 1 19.317 38.634 0.215 15.59 2 13.4 4.2 62 2 -1 1 19.339 38.678 0.215 15.55 2 0.7 0.0 63 2 0 1 19.391 38.782 0.216 15.46 2 15.7 5.7 64 0 -4 1 19.478 38.957 0.216 15.31 2 34.9 27.8 65 1 0 2 19.49 38.981 0.217 15.29 2 23.1 12.1 66 0 3 2 19.666 39.332 0.218 14.99 2 22.0 10.9 67 1 -1 2 19.91 39.82 0.221 14.58 2 33.3 24.1 68 1 1 2 20.051 40.102 0.223 14.35 2 18.2 7.1 69 1 4 0 20.258 40.516 0.225 14.03 2 3.0 0.2 70 2 -2 1 20.265 40.531 0.225 14.02 2 32.7 22.4 71 -2 -1 2 20.292 40.584 0.225 13.98 2 1.4 0.0 72 -2 4 1 20.352 40.704 0.226 13.89 2 39.5 32.3 73 2 1 1 20.415 40.83 0.226 13.79 2 16.4 5.6 74 -2 3 2 20.449 40.898 0.227 13.74 2 54.3 60.4 75 1 -4 1 20.642 41.284 0.229 13.45 2 11.6 2.7 76 -2 4 0 21.031 42.062 0.233 12.9 2 74.1 105.6 77 0 -3 2 21.215 42.43 0.235 12.65 2 17.0 5.5 78 -1 4 2 21.228 42.457 0.235 12.64 2 2.4 0.1 79 1 -2 2 21.261 42.522 0.235 12.59 2 3.8 0.3 80 -1 -4 1 21.469 42.939 0.238 12.32 2 24.1 10.7 81 1 2 2 21.528 43.055 0.238 12.25 2 4.5 0.4 82 -1 5 0 21.571 43.142 0.239 12.19 2 2.9 0.2 83 0 5 0 21.635 43.271 0.239 12.11 2 29.6 15.8 84 -1 5 1 21.638 43.276 0.239 12.11 2 55.4 55.4 85 -1 -3 2 21.961 43.923 0.243 11.71 2 36.1 22.7 86 2 -3 1 22.068 44.136 0.244 11.58 2 1.1 0.0 87 -3 1 1 22.14 44.28 0.245 11.5 2 28.7 14.2 88 1 4 1 22.17 44.34 0.245 11.46 2 8.8 1.3 89 2 3 0 22.226 44.452 0.246 11.4 2 41.3 28.9 90 2 2 1 22.3 44.601 0.246 11.31 2 96.9 158.1 91 -2 -3 1 22.429 44.857 0.248 11.17 2 20.4 6.9 92 -3 2 1 22.435 44.871 0.248 11.16 2 6.9 0.8 93 0 5 1 22.533 45.067 0.249 11.05 2 4.6 0.4 94 -2 -2 2 22.546 45.092 0.249 11.04 2 27.4 12.3 95 0 4 2 22.655 45.311 0.25 10.92 2 48.5 38.2 96 -3 0 1 22.729 45.458 0.251 10.84 2 5.1 0.4 97 -1 1 3 22.744 45.488 0.251 10.82 2 24.3 9.5 98 -2 4 2 22.762 45.524 0.251 10.8 2 66.2 70.6 99 -1 0 3 22.962 45.924 0.253 10.59 2 20.9 6.9 100 -3 1 0 23.229 46.459 0.256 10.32 2 47.3 34.4 101 -1 2 3 23.392 46.783 0.258 10.15 2 26.6 10.7 102 1 -3 2 23.413 46.825 0.258 10.13 2 56.8 48.8 103 -3 3 1 23.59 47.179 0.26 9.96 2 52.6 41.0 104 -3 2 0 23.629 47.259 0.26 9.92 2 42.8 27.1 105 -2 5 1 23.651 47.303 0.26 9.9 2 14.2 3.0 106 3 0 0 23.683 47.366 0.261 9.87 2 2.2 0.1 107 0 -5 1 23.703 47.406 0.261 9.85 2 36.0 19.1 108 1 3 2 23.783 47.566 0.262 9.78 2 75.0 82.0 109 0 0 3 23.937 47.874 0.263 9.64 2 80.1 92.2 110 -3 1 2 23.973 47.946 0.264 9.6 2 49.8 35.6 111 0 1 3 24.015 48.03 0.264 9.57 2 17.8 4.5 112 -1 -1 3 24.028 48.056 0.264 9.55 2 48.2 33.0 113 -3 2 2 24.138 48.276 0.265 9.46 2 3.5 0.2 114 -3 -1 1 24.153 48.305 0.266 9.44 2 35.3 17.5 115 -2 1 3 24.286 48.573 0.267 9.32 2 18.3 4.6 116 -2 5 0 24.369 48.738 0.268 9.25 2 4.7 0.3 117 1 -5 1 24.422 48.844 0.268 9.21 2 32.9 14.8 118 0 -4 2 24.499 48.998 0.269 9.14 2 64.8 57.3 119 1 5 0 24.545 49.09 0.27 9.1 2 27.6 10.3 120 2 -4 1 24.594 49.188 0.27 9.06 2 41.1 22.8 121 -1 5 2 24.605 49.21 0.27 9.05 2 34.5 16.0 122 -2 2 3 24.622 49.243 0.27 9.04 2 22.5 6.8 123 -3 0 2 24.64 49.279 0.271 9.02 2 4.2 0.2 124 0 -1 3 24.69 49.379 0.271 8.98 2 29.0 11.2 125 -2 0 3 24.777 49.553 0.272 8.91 2 96.6 123.8 126 -3 3 0 24.851 49.703 0.273 8.85 2 56.2 41.6 127 -1 3 3 24.853 49.706 0.273 8.85 2 42.4 23.7 128 2 3 1 24.893 49.787 0.273 8.82 2 9.0 1.1 129 0 2 3 24.919 49.837 0.273 8.8 2 23.4 7.2 130 3 1 0 24.955 49.909 0.274 8.77 2 43.2 24.4 131 -3 3 2 25.123 50.245 0.276 8.63 2 75.1 72.5 132 -1 -4 2 25.446 50.893 0.279 8.39 2 5.3 0.3 133 -2 -3 2 25.448 50.895 0.279 8.38 2 20.7 5.4 134 2 0 2 25.5 50.999 0.279 8.35 2 69.9 60.8 135 -3 4 1 25.513 51.026 0.28 8.34 2 31.1 12.0 136 2 -1 2 25.566 51.133 0.28 8.3 2 42.9 22.7 137 -1 -5 1 25.704 51.407 0.282 8.2 2 84.8 87.8 138 -2 5 2 25.711 51.422 0.282 8.19 2 18.3 4.1 139 2 4 0 25.741 51.483 0.282 8.17 2 48.1 28.2 140 -2 3 3 25.759 51.517 0.282 8.16 2 10.2 1.3 141 -1 -2 3 25.862 51.724 0.283 8.08 2 33.6 13.6 142 -1 6 1 25.884 51.767 0.283 8.07 2 8.2 0.8 143 -1 6 0 25.932 51.865 0.284 8.03 2 15.6 2.9 144 -2 -4 1 26.03 52.06 0.285 7.96 2 47.0 26.2 145 -2 -1 3 26.058 52.116 0.285 7.94 2 8.5 0.9 146 -3 -1 2 26.091 52.181 0.285 7.92 2 32.8 12.7 147 1 5 1 26.104 52.208 0.286 7.91 2 62.7 46.3 148 0 5 2 26.159 52.318 0.286 7.87 2 16.4 3.2 149 1 -4 2 26.217 52.433 0.287 7.83 2 0.6 0.0 150 0 -2 3 26.221 52.441 0.287 7.83 2 31.2 11.4 151 2 1 2 26.227 52.454 0.287 7.83 2 1.9 0.0 152 0 6 0 26.26 52.519 0.287 7.81 2 31.7 11.7 153 -3 -2 1 26.308 52.616 0.288 7.77 2 21.6 5.4 154 2 -2 2 26.423 52.846 0.289 7.7 2 33.4 12.8 155 0 3 3 26.585 53.171 0.29 7.59 2 2.2 0.1 156 1 4 2 26.671 53.343 0.291 7.53 2 10.9 1.3 157 -3 4 0 26.813 53.625 0.293 7.44 2 22.9 5.8 158 -3 4 2 26.861 53.721 0.293 7.41 2 4.5 0.2 159 0 6 1 26.935 53.871 0.294 7.37 2 11.8 1.5 160 3 2 0 26.959 53.918 0.294 7.35 2 15.1 2.5 161 3 -1 1 26.969 53.939 0.294 7.35 2 43.4 20.6 162 -1 4 3 27.031 54.062 0.295 7.31 2 24.8 6.7 163 3 0 1 27.273 54.547 0.297 7.16 2 26.4 7.4 164 -2 6 1 27.401 54.802 0.299 7.09 2 57.5 34.9 165 3 -2 1 27.432 54.864 0.299 7.07 2 13.9 2.0 166 1 0 3 27.478 54.955 0.3 7.04 2 8.5 0.8 167 -2 4 3 27.626 55.253 0.301 6.95 2 50.2 26.1 168 2 -5 1 27.705 55.409 0.302 6.91 2 3.5 0.1 169 2 2 2 27.705 55.409 0.302 6.91 2 32.3 10.7 170 1 1 3 27.809 55.618 0.303 6.85 2 55.0 30.9 171 1 -1 3 27.904 55.807 0.304 6.8 2 24.7 6.2 172 2 -3 2 28.019 56.038 0.305 6.74 2 11.1 1.2 173 -2 -2 3 28.054 56.108 0.305 6.72 2 24.0 5.8 174 2 4 1 28.059 56.117 0.305 6.71 2 70.2 49.3 175 -3 5 1 28.094 56.187 0.306 6.69 2 91.4 83.4 176 -2 6 0 28.15 56.301 0.306 6.66 2 39.1 15.2 177 0 -6 1 28.171 56.343 0.306 6.65 2 43.2 18.5 178 0 -5 2 28.237 56.474 0.307 6.62 2 1.4 0.0 179 -3 -2 2 28.241 56.482 0.307 6.62 2 0.2 0.0 180 -3 1 3 28.297 56.594 0.308 6.59 2 59.4 34.6 181 3 1 1 28.328 56.655 0.308 6.57 2 65.5 42.0 182 -3 2 3 28.343 56.686 0.308 6.56 2 20.2 4.0 183 -1 -3 3 28.359 56.718 0.308 6.55 2 79.5 61.8 184 -1 6 2 28.418 56.836 0.309 6.52 2 7.6 0.6 185 0 -3 3 28.441 56.883 0.309 6.51 2 1.6 0.0 186 1 -6 1 28.556 57.111 0.31 6.45 2 6.0 0.4 187 3 -3 1 28.637 57.274 0.311 6.41 2 30.6 8.9 188 -2 -4 2 28.87 57.74 0.313 6.29 2 81.1 61.7 189 1 2 3 28.881 57.761 0.314 6.29 2 29.0 7.9 190 0 4 3 28.925 57.849 0.314 6.27 2 29.1 7.9 191 -3 0 3 28.992 57.984 0.315 6.23 2 3.7 0.1 192 1 -2 3 29.065 58.131 0.315 6.2 2 0.8 0.0 193 1 6 0 29.073 58.145 0.315 6.2 2 34.0 10.7 194 -3 -3 1 29.085 58.171 0.316 6.19 2 34.4 10.9 195 -3 3 3 29.128 58.255 0.316 6.17 2 48.7 21.8 196 -2 6 2 29.172 58.344 0.316 6.15 2 71.2 46.4 197 -3 5 2 29.261 58.522 0.317 6.11 2 21.1 4.1 198 -1 -5 2 29.35 58.7 0.318 6.06 2 49.4 22.0 199 -3 5 0 29.413 58.827 0.319 6.03 2 32.7 9.6 200 1 -5 2 29.555 59.11 0.32 5.97 2 58.0 29.9 201 3 3 0 29.597 59.195 0.321 5.95 2 42.6 16.1 202 2 5 0 29.671 59.342 0.321 5.92 2 28.1 7.0 203 -1 5 3 29.823 59.645 0.323 5.85 2 41.4 14.9 204 2 3 2 29.858 59.717 0.323 5.83 2 19.5 3.3 205 -2 -5 1 30.031 60.063 0.325 5.76 2 30.0 7.7 206 1 5 2 30.08 60.161 0.325 5.74 2 43.1 15.9 207 3 2 1 30.081 60.161 0.325 5.74 2 16.1 2.2 208 0 6 2 30.081 60.162 0.325 5.74 2 49.8 21.2 209 -2 5 3 30.136 60.272 0.326 5.72 2 10.4 0.9 210 -1 -6 1 30.207 60.414 0.327 5.69 2 4.3 0.2 211 -4 2 1 30.234 60.468 0.327 5.67 2 64.8 35.5 212 -4 1 1 30.242 60.484 0.327 5.67 2 23.1 4.5 213 2 -4 2 30.278 60.556 0.327 5.66 2 32.1 8.7 214 1 6 1 30.374 60.748 0.328 5.62 2 8.9 0.7 215 -3 -1 3 30.395 60.79 0.328 5.61 2 23.9 4.8 216 -1 7 1 30.398 60.797 0.328 5.61 2 27.6 6.4 217 3 -4 1 30.527 61.054 0.33 5.55 2 35.3 10.3 218 -1 7 0 30.539 61.078 0.33 5.55 2 59.5 29.3 219 -3 4 3 30.615 61.23 0.331 5.52 2 42.8 15.0 220 1 3 3 30.643 61.286 0.331 5.51 2 37.0 11.2 221 -2 -3 3 30.675 61.35 0.331 5.49 2 15.1 1.9 222 1 -3 3 30.91 61.82 0.333 5.4 2 48.7 19.1 223 -4 3 1 30.937 61.875 0.334 5.39 2 23.4 4.4 224 -4 0 1 30.961 61.922 0.334 5.38 2 59.6 28.4 225 -4 2 2 30.983 61.966 0.334 5.37 2 40.9 13.4 226 -3 -3 2 30.999 61.998 0.334 5.37 2 25.5 5.2 227 -1 1 4 31.042 62.085 0.335 5.35 2 63.3 31.9 228 0 7 0 31.076 62.153 0.335 5.34 2 38.5 11.8 229 -4 1 2 31.087 62.173 0.335 5.33 2 2.5 0.0 230 -3 6 1 31.234 62.468 0.337 5.28 2 25.6 5.1 231 0 -4 3 31.262 62.524 0.337 5.27 2 34.8 9.5 232 2 -6 1 31.303 62.607 0.337 5.25 2 56.4 24.9 233 -1 0 4 31.314 62.628 0.337 5.25 2 15.3 1.8 234 -1 -4 3 31.426 62.851 0.338 5.21 2 6.3 0.3 235 -1 2 4 31.473 62.947 0.339 5.19 2 7.2 0.4 236 -2 7 1 31.534 63.068 0.339 5.17 2 35.3 9.6 237 -4 3 2 31.582 63.165 0.34 5.15 2 15.4 1.8 238 0 7 1 31.59 63.181 0.34 5.15 2 4.1 0.1 239 -2 1 4 31.66 63.32 0.341 5.12 2 34.2 8.9 240 2 5 1 31.705 63.409 0.341 5.11 2 26.9 5.5 241 -4 1 0 31.776 63.553 0.342 5.08 2 4.7 0.2 242 -2 2 4 31.848 63.696 0.343 5.06 2 66.5 33.3 243 0 5 3 31.848 63.697 0.343 5.06 2 12.6 1.2 244 -4 2 0 31.863 63.726 0.343 5.05 2 19.2 2.8 245 -4 0 2 31.889 63.777 0.343 5.04 2 46.6 16.3 246 -2 0 4 32.167 64.333 0.346 4.95 2 23.4 4.0 247 -3 6 2 32.238 64.476 0.346 4.93 2 3.5 0.1 248 -1 -1 4 32.278 64.557 0.347 4.91 2 46.2 15.6 249 -2 7 0 32.317 64.633 0.347 4.9 2 42.1 13.0 250 -4 4 1 32.325 64.65 0.347 4.9 2 20.7 3.1 251 -4 -1 1 32.363 64.727 0.347 4.88 2 11.6 1.0 252 0 -6 2 32.368 64.736 0.348 4.88 2 14.3 1.5 253 4 0 0 32.382 64.765 0.348 4.88 2 67.1 32.7 254 -3 -4 1 32.397 64.794 0.348 4.87 2 11.0 0.9 255 -3 -2 3 32.453 64.907 0.348 4.86 2 0.8 0.0 256 3 3 1 32.466 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2 53.7 13.2 493 -5 1 3 41.749 83.497 0.432 3.06 2 50.2 11.5 494 -2 -7 2 41.776 83.551 0.432 3.06 2 3.5 0.1 495 -4 -1 4 41.78 83.561 0.432 3.06 2 18.7 1.6 496 0 -8 2 41.828 83.656 0.433 3.05 2 43.6 8.7 497 -2 9 0 41.833 83.666 0.433 3.05 2 32.3 4.7 498 2 0 4 41.859 83.718 0.433 3.05 2 5.4 0.1 499 0 9 1 41.869 83.738 0.433 3.05 2 25.4 2.9 500 3 -3 3 41.874 83.748 0.433 3.05 2 59.0 15.8 501 1 -4 4 41.939 83.877 0.434 3.04 2 0.8 0.0 502 -5 -1 2 41.973 83.946 0.434 3.04 2 60.1 16.4 503 -5 5 2 42.009 84.017 0.434 3.04 2 16.3 1.2 504 -2 -1 5 42.021 84.043 0.435 3.04 2 22.1 2.2 505 5 0 0 42.025 84.051 0.435 3.04 2 9.7 0.4 506 2 5 3 42.029 84.058 0.435 3.04 2 37.3 6.3 507 -4 7 0 42.048 84.095 0.435 3.03 2 27.6 3.4 508 -3 -5 3 42.077 84.153 0.435 3.03 2 10.2 0.5 509 2 -1 4 42.081 84.162 0.435 3.03 2 4.0 0.1 510 -4 5 4 42.09 84.179 0.435 3.03 2 25.8 3.0 511 -5 5 1 42.186 84.372 0.436 3.02 2 57.2 14.7 512 -2 9 2 42.188 84.376 0.436 3.02 2 5.7 0.1 513 -1 9 2 42.194 84.388 0.436 3.02 2 61.0 16.7 514 -3 2 5 42.214 84.427 0.436 3.02 2 0.5 0.0 515 2 1 4 42.263 84.526 0.437 3.01 2 1.5 0.0 516 3 2 3 42.265 84.531 0.437 3.01 2 2.5 0.0 517 1 -8 2 42.303 84.606 0.437 3.01 2 4.5 0.1 518 0 6 4 42.304 84.609 0.437 3.01 2 30.2 4.1 519 -3 1 5 42.345 84.689 0.437 3.01 2 30.9 4.3 520 4 -3 2 42.351 84.702 0.437 3.01 2 24.6 2.7 521 -1 -5 4 42.374 84.749 0.437 3.0 2 46.9 9.8 522 -3 -6 2 42.393 84.787 0.438 3.0 2 17.9 1.4 523 0 1 5 42.437 84.875 0.438 3.0 2 21.2 2.0 524 -2 4 5 42.442 84.884 0.438 3.0 2 41.8 7.8 525 -5 4 3 42.451 84.902 0.438 3.0 2 23.0 2.4 526 -2 7 4 42.489 84.979 0.438 3.0 2 25.7 3.0 527 0 0 5 42.549 85.097 0.439 2.99 2 56.3 14.1 528 -3 8 3 42.579 85.157 0.439 2.99 2 10.5 0.5 529 0 -5 4 42.595 85.19 0.439 2.99 2 36.2 5.8 530 4 1 2 42.612 85.224 0.439 2.98 2 7.0 0.2 531 -3 3 5 42.708 85.416 0.44 2.98 2 52.9 12.4 532 -5 4 0 42.728 85.456 0.44 2.98 2 37.5 6.2 533 4 -6 1 42.731 85.461 0.44 2.98 2 43.0 8.2 534 -4 7 3 42.753 85.507 0.441 2.97 2 24.3 2.6 535 -5 0 3 42.766 85.533 0.441 2.97 2 1.5 0.0 536 0 -7 3 42.822 85.643 0.441 2.97 2 37.4 6.2 537 2 -2 4 42.928 85.856 0.442 2.96 2 66.5 19.5 538 3 6 1 42.947 85.894 0.442 2.96 2 19.5 1.7 539 0 2 5 42.951 85.903 0.442 2.96 2 30.8 4.2 540 1 8 2 43.031 86.061 0.443 2.95 2 24.9 2.7 541 1 -9 1 43.073 86.145 0.443 2.95 2 62.6 17.2 542 -3 0 5 43.101 86.201 0.444 2.95 2 18.7 1.5 543 -1 4 5 43.118 86.235 0.444 2.95 2 25.1 2.8 544 -1 -2 5 43.199 86.398 0.444 2.94 2 20.6 1.9 545 -1 7 4 43.228 86.457 0.445 2.94 2 21.6 2.0 546 0 -1 5 43.284 86.569 0.445 2.93 2 6.9 0.2 547 2 2 4 43.292 86.583 0.445 2.93 2 41.7 7.6 548 0 -9 1 43.395 86.79 0.446 2.92 2 4.8 0.1 549 5 1 0 43.413 86.826 0.446 2.92 2 6.2 0.2 550 -1 -8 2 43.416 86.832 0.446 2.92 2 30.0 3.9 551 3 5 2 43.423 86.846 0.446 2.92 2 40.0 7.0 552 2 -6 3 43.534 87.069 0.447 2.92 2 42.6 7.9 553 1 7 3 43.541 87.082 0.447 2.91 2 47.9 10.0 554 -3 9 1 43.595 87.19 0.448 2.91 2 23.9 2.5 555 -1 -7 3 43.611 87.223 0.448 2.91 2 41.8 7.6 556 1 5 4 43.635 87.271 0.448 2.91 2 47.7 9.9 557 3 -4 3 43.671 87.343 0.448 2.91 2 8.3 0.3 558 0 8 3 43.695 87.391 0.448 2.9 2 51.0 11.3 559 -5 -2 1 43.738 87.476 0.449 2.9 2 12.9 0.7 560 -3 7 4 43.81 87.62 0.449 2.9 2 4.4 0.1 561 -2 -2 5 43.812 87.624 0.449 2.9 2 36.9 5.9 562 -3 4 5 43.826 87.652 0.449 2.9 2 9.8 0.4 563 2 8 0 43.828 87.655 0.45 2.9 2 34.7 5.2 564 4 -4 2 43.847 87.694 0.45 2.89 2 33.8 4.9 565 3 -8 1 43.855 87.711 0.45 2.89 2 16.6 1.2 566 -4 -2 4 43.917 87.833 0.45 2.89 2 30.5 4.0 567 -4 8 1 43.923 87.845 0.45 2.89 2 39.0 6.5 568 -5 5 3 43.934 87.867 0.45 2.89 2 9.3 0.4 569 -4 -5 1 44.012 88.024 0.451 2.88 2 4.1 0.1 570 2 7 2 44.054 88.108 0.451 2.88 2 13.4 0.8 571 -4 8 2 44.073 88.145 0.452 2.88 2 31.3 4.2 572 0 3 5 44.088 88.177 0.452 2.88 2 24.6 2.6 573 1 -7 3 44.09 88.179 0.452 2.88 2 49.9 10.7 574 -5 -2 2 44.153 88.307 0.452 2.87 2 17.4 1.3 575 -5 6 2 44.201 88.402 0.453 2.87 2 3.3 0.0 576 -2 -5 4 44.212 88.425 0.453 2.87 2 25.2 2.7 577 3 3 3 44.216 88.433 0.453 2.87 2 27.2 3.2 578 4 4 1 44.228 88.456 0.453 2.87 2 49.9 10.7 579 4 2 2 44.237 88.475 0.453 2.87 2 35.5 5.4 580 -3 9 2 44.241 88.481 0.453 2.87 2 36.5 5.7 581 0 9 2 44.259 88.518 0.453 2.87 2 8.8 0.3 582 -3 -4 4 44.316 88.633 0.453 2.87 2 4.1 0.1 583 -4 6 4 44.327 88.653 0.454 2.86 2 44.1 8.3 584 -2 -8 1 44.393 88.785 0.454 2.86 2 41.7 7.4 585 2 -3 4 44.397 88.794 0.454 2.86 2 12.7 0.7 586 -2 5 5 44.399 88.797 0.454 2.86 2 25.2 2.7 587 -5 -1 3 44.405 88.81 0.454 2.86 2 21.0 1.9 588 -5 6 1 44.462 88.923 0.455 2.86 2 16.5 1.2 589 -5 5 0 44.463 88.926 0.455 2.86 2 8.4 0.3 590 -3 -1 5 44.479 88.958 0.455 2.86 2 26.2 2.9 591 1 9 0 44.543 89.086 0.455 2.85 2 11.7 0.6 592 0 -2 5 44.643 89.285 0.456 2.85 2 6.8 0.2 593 -4 -4 3 44.69 89.38 0.457 2.84 2 31.8 4.3 594 2 -9 1 44.807 89.614 0.457 2.84 2 12.7 0.7 595 2 -8 2 44.833 89.667 0.458 2.84 2 55.1 12.8 596 4 5 0 44.86 89.721 0.458 2.84 2 26.6 3.0 597 1 -5 4 44.872 89.744 0.458 2.83 2 49.1 10.2 598 2 3 4 44.941 89.882 0.459 2.83 2 29.8 3.8 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 4.229 8.458 10.44592 49.3 6.7 6.7 5.6 2 1 0 0 7.695 15.389 5.753 228.7 31.1 31.2 5.6 3 0 0 1 7.773 15.545 5.69552 91.7 12.5 12.5 5.6 4 -1 1 0 8.053 16.106 5.4985 393.0 53.4 53.5 5.6 5 0 2 0 8.481 16.962 5.22296 58.5 8.0 8.0 5.6 6 0 1 1 8.579 17.159 5.16351 135.3 18.4 18.4 5.6 7 0 -1 1 9.135 18.269 4.85206 38.9 5.3 5.3 5.6 8 -1 0 1 9.298 18.595 4.76773 58.3 7.9 7.9 5.6 9 -1 1 1 9.338 18.675 4.74744 735.2 100.0 100.0 5.6 10 1 1 0 9.476 18.952 4.67875 140.4 19.1 19.1 5.6 11 -1 2 0 10.337 20.674 4.29273 79.6 10.8 10.8 5.6 12 -1 -1 1 11.053 22.105 4.0179 102.9 14.0 14.0 5.6 13 0 2 1 11.104 22.208 3.99951 471.8 64.2 64.0 5.6 14 -1 2 1 11.154 22.309 3.98172 14.5 2.0 2.0 5.6 15 0 -2 1 11.966 23.933 3.71507 550.3 74.8 74.6 5.6 16 1 0 1 12.43 24.861 3.5785 29.1 4.0 3.9 5.6 17 1 2 0 12.542 25.084 3.54713 140.4 19.1 19.0 5.6 18 0 3 0 12.781 25.561 3.48197 31.1 4.2 4.2 5.6 19 1 -1 1 12.856 25.712 3.46195 90.8 12.4 12.3 5.6 20 1 1 1 13.442 26.884 3.31364 362.6 49.3 49.0 5.6 21 -1 3 0 13.644 27.289 3.26536 144.6 19.7 19.5 5.6 22 -1 -2 1 13.97 27.94 3.19072 89.6 12.2 12.1 5.6 23 0 3 1 14.514 29.027 3.07361 86.5 11.8 11.7 5.6 24 1 -2 1 14.602 29.203 3.05549 151.6 20.6 20.5 5.6 25 -2 1 1 14.915 29.831 2.99261 9.9 1.3 1.3 5.6 26 -2 1 0 15.304 30.608 2.91834 63.4 8.6 8.5 5.6 27 -1 0 2 15.438 30.876 2.8937 12.3 1.7 1.7 5.6 28 2 0 0 15.532 31.065 2.8765 135.4 18.4 18.3 5.6 29 0 0 2 15.693 31.386 2.84776 14.0 1.9 1.9 5.6 30 -2 2 1 15.742 31.485 2.83909 311.1 42.3 41.9 5.6 31 0 1 2 15.965 31.93 2.80052 98.4 13.4 13.3 5.6 32 1 3 0 16.226 32.453 2.75656 368.6 50.1 49.6 5.6 33 -1 2 2 16.349 32.697 2.73652 74.8 10.2 10.1 5.6 34 0 -1 2 16.593 33.186 2.69736 31.5 4.3 4.2 5.6 35 -1 -1 2 16.742 33.485 2.67394 204.0 27.7 27.4 5.7 36 2 1 0 16.912 33.824 2.64789 12.3 1.7 1.7 5.7 37 1 -3 1 17.304 34.609 2.58963 29.2 4.0 3.9 5.7 38 0 2 2 17.359 34.718 2.58176 7.9 1.1 1.1 5.7 39 -1 4 0 17.455 34.909 2.56804 48.3 6.6 6.5 5.7 40 -1 -3 1 17.526 35.051 2.55793 13.4 1.8 1.8 5.7 41 -1 4 1 17.681 35.363 2.53613 35.5 4.8 4.8 5.7 42 -2 3 0 18.263 36.526 2.45796 33.6 4.6 4.5 5.7 43 0 4 1 18.377 36.754 2.44325 69.4 9.4 9.3 5.7 44 -1 3 2 18.409 36.819 2.43911 15.6 2.1 2.1 5.7 45 0 -2 2 18.512 37.024 2.42603 196.3 26.7 26.3 5.7 46 1 3 1 18.631 37.263 2.41104 71.5 9.7 9.6 5.7 47 -2 2 2 18.936 37.871 2.37372 49.8 6.8 6.7 5.7 48 -1 -2 2 18.999 37.998 2.36606 34.3 4.7 4.6 5.7 49 2 2 0 19.224 38.449 2.33938 31.5 4.3 4.2 5.7 50 0 -4 1 19.478 38.957 2.31003 39.9 5.4 5.3 5.7 51 0 3 2 19.666 39.332 2.28886 10.9 1.5 1.5 5.7 52 1 -1 2 19.91 39.82 2.26193 24.1 3.3 3.2 5.7 53 2 -2 1 20.265 40.531 2.22388 22.4 3.0 3.0 5.7 54 -2 4 1 20.352 40.704 2.21482 32.3 4.4 4.3 5.7 55 -2 3 2 20.449 40.898 2.20474 60.4 8.2 8.1 5.7 56 -2 4 0 21.031 42.062 2.14637 105.6 14.4 14.1 5.7 57 -1 -4 1 21.469 42.939 2.10457 10.7 1.5 1.4 5.7 58 -1 5 1 21.638 43.276 2.08894 71.2 9.7 9.5 5.7 59 -1 -3 2 21.961 43.923 2.05968 22.7 3.1 3.0 5.7 60 -3 1 1 22.14 44.28 2.04388 14.2 1.9 1.9 5.7 61 2 3 0 22.226 44.452 2.03635 28.9 3.9 3.8 5.7 62 2 2 1 22.3 44.601 2.02993 158.1 21.5 21.0 5.7 63 -2 -3 1 22.429 44.857 2.01892 7.7 1.1 1.0 5.7 64 -2 -2 2 22.546 45.092 2.00895 12.3 1.7 1.6 5.7 65 0 4 2 22.655 45.311 1.99975 38.2 5.2 5.1 5.7 66 -2 4 2 22.762 45.524 1.99086 80.1 10.9 10.6 5.7 67 -3 1 0 23.229 46.459 1.95298 34.4 4.7 4.6 5.7 68 1 -3 2 23.413 46.825 1.93855 59.4 8.1 7.9 5.7 69 -3 3 1 23.59 47.179 1.92483 41.0 5.6 5.4 5.7 70 -3 2 0 23.629 47.259 1.92176 30.1 4.1 4.0 5.7 71 0 -5 1 23.703 47.406 1.91614 19.1 2.6 2.5 5.7 72 1 3 2 23.783 47.566 1.91005 82.0 11.1 10.9 5.7 73 0 0 3 23.937 47.874 1.89851 92.2 12.5 12.2 5.7 74 -3 1 2 23.973 47.946 1.89583 35.6 4.8 4.7 5.7 75 -1 -1 3 24.028 48.056 1.89174 37.5 5.1 5.0 5.7 76 -3 -1 1 24.153 48.305 1.88256 17.5 2.4 2.3 5.7 77 1 -5 1 24.422 48.844 1.86303 14.8 2.0 2.0 5.7 78 0 -4 2 24.499 48.998 1.85754 57.3 7.8 7.6 5.7 79 1 5 0 24.545 49.09 1.85427 10.3 1.4 1.4 5.7 80 2 -4 1 24.594 49.188 1.8508 45.7 6.2 6.0 5.7 81 0 -1 3 24.69 49.379 1.84408 11.2 1.5 1.5 5.7 82 -2 0 3 24.777 49.553 1.83801 123.8 16.8 16.4 5.7 83 -3 3 0 24.851 49.703 1.83283 65.3 8.9 8.6 5.7 84 0 2 3 24.919 49.837 1.8282 8.3 1.1 1.1 5.7 85 3 1 0 24.955 49.909 1.82574 24.4 3.3 3.2 5.7 86 -3 3 2 25.123 50.245 1.81432 72.5 9.9 9.6 5.8 87 2 0 2 25.5 50.999 1.78925 72.9 9.9 9.6 5.8 88 2 -1 2 25.566 51.133 1.78489 22.7 3.1 3.0 5.8 89 -1 -5 1 25.704 51.407 1.776 91.9 12.5 12.1 5.8 90 2 4 0 25.741 51.483 1.77357 29.5 4.0 3.9 5.8 91 -1 -2 3 25.862 51.724 1.76588 14.4 2.0 1.9 5.8 92 -2 -4 1 26.03 52.06 1.75525 27.0 3.7 3.6 5.8 93 1 5 1 26.104 52.208 1.75064 59.0 8.0 7.8 5.8 94 0 -2 3 26.221 52.441 1.74339 11.4 1.6 1.5 5.8 95 0 6 0 26.26 52.519 1.74099 11.7 1.6 1.5 5.8 96 2 -2 2 26.423 52.846 1.73098 12.8 1.7 1.7 5.8 97 3 -1 1 26.969 53.939 1.69847 24.6 3.4 3.2 5.8 98 3 0 1 27.273 54.547 1.68096 7.4 1.0 1.0 5.8 99 -2 6 1 27.401 54.802 1.67374 34.9 4.7 4.6 5.8 100 -2 4 3 27.626 55.253 1.66114 26.1 3.6 3.4 5.8 101 2 2 2 27.705 55.409 1.65682 10.7 1.5 1.4 5.8 102 1 1 3 27.809 55.618 1.6511 30.9 4.2 4.1 5.8 103 2 4 1 28.059 56.117 1.63759 55.0 7.5 7.2 5.8 104 -3 5 1 28.094 56.187 1.63571 83.4 11.3 10.9 5.8 105 0 -6 1 28.171 56.343 1.63157 33.7 4.6 4.4 5.8 106 -3 1 3 28.297 56.594 1.62493 34.6 4.7 4.5 5.8 107 3 1 1 28.328 56.655 1.6233 46.0 6.3 6.0 5.8 108 -1 -3 3 28.359 56.718 1.62165 61.8 8.4 8.1 5.8 109 3 -3 1 28.637 57.274 1.60724 8.9 1.2 1.2 5.8 110 -2 -4 2 28.87 57.74 1.59536 69.6 9.5 9.1 5.8 111 0 4 3 28.925 57.849 1.59261 7.9 1.1 1.0 5.8 112 -3 -3 1 29.085 58.171 1.58457 21.6 2.9 2.8 5.8 113 -3 3 3 29.128 58.255 1.58248 21.8 3.0 2.9 5.8 114 -2 6 2 29.172 58.344 1.58027 46.4 6.3 6.1 5.8 115 -1 -5 2 29.35 58.7 1.57155 22.0 3.0 2.9 5.8 116 -3 5 0 29.413 58.827 1.56845 9.6 1.3 1.3 5.8 117 1 -5 2 29.555 59.11 1.56161 29.9 4.1 3.9 5.8 118 3 3 0 29.597 59.195 1.55958 16.1 2.2 2.1 5.8 119 -1 5 3 29.823 59.645 1.54888 14.9 2.0 1.9 5.8 120 -2 -5 1 30.031 60.063 1.5391 7.7 1.0 1.0 5.8 121 0 6 2 30.081 60.162 1.53681 39.3 5.3 5.1 5.8 122 -4 2 1 30.234 60.468 1.52975 40.0 5.4 5.2 5.8 123 2 -4 2 30.278 60.556 1.52774 8.7 1.2 1.1 5.8 124 -1 7 1 30.398 60.797 1.52227 11.1 1.5 1.4 5.8 125 -1 7 0 30.539 61.078 1.51593 39.6 5.4 5.2 5.8 126 -3 4 3 30.615 61.23 1.51253 26.3 3.6 3.4 5.8 127 1 -3 3 30.91 61.82 1.4995 23.5 3.2 3.1 5.8 128 -4 0 1 30.961 61.922 1.49728 41.8 5.7 5.4 5.8 129 -1 1 4 31.042 62.085 1.49374 31.9 4.3 4.2 5.8 130 0 7 0 31.076 62.153 1.49227 11.8 1.6 1.5 5.8 131 0 -4 3 31.262 62.524 1.48431 14.6 2.0 1.9 5.8 132 2 -6 1 31.303 62.607 1.48253 26.7 3.6 3.5 5.8 133 -2 7 1 31.534 63.068 1.4728 9.6 1.3 1.2 5.9 134 -2 1 4 31.66 63.32 1.46755 8.9 1.2 1.2 5.9 135 -2 2 4 31.848 63.696 1.45979 37.3 5.1 4.8 5.9 136 -4 0 2 31.889 63.777 1.45812 16.3 2.2 2.1 5.9 137 -1 -1 4 32.278 64.557 1.44239 15.6 2.1 2.0 5.9 138 -2 7 0 32.317 64.633 1.44086 16.1 2.2 2.1 5.9 139 4 0 0 32.382 64.765 1.43825 35.1 4.8 4.5 5.9 140 -1 7 2 32.613 65.226 1.42919 32.4 4.4 4.2 5.9 141 -3 5 3 32.75 65.499 1.42389 32.1 4.4 4.1 5.9 142 3 -5 1 33.035 66.071 1.41295 46.7 6.3 6.0 5.9 143 2 -5 2 33.125 66.249 1.40958 11.0 1.5 1.4 5.9 144 0 2 4 33.374 66.747 1.40026 48.0 6.5 6.2 5.9 145 2 1 3 33.555 67.109 1.39359 9.5 1.3 1.2 5.9 146 1 7 0 33.867 67.734 1.38225 13.5 1.8 1.7 5.9 147 2 6 0 33.978 67.955 1.37828 21.0 2.9 2.7 5.9 148 -4 4 0 34.08 68.161 1.37462 34.9 4.7 4.5 5.9 149 3 -3 2 34.409 68.817 1.36311 48.5 6.6 6.2 5.9 150 -3 1 4 34.507 69.014 1.35971 14.6 2.0 1.9 5.9 151 0 -2 4 34.829 69.659 1.34868 7.6 1.0 1.0 5.9 152 -1 -7 1 35.003 70.006 1.34284 7.8 1.1 1.0 5.9 153 -4 0 3 35.065 70.131 1.34076 22.9 3.1 2.9 5.9 154 -3 -3 3 35.109 70.218 1.3393 21.5 2.9 2.8 5.9 155 -2 -2 4 35.179 70.359 1.33697 26.2 3.6 3.4 5.9 156 -4 -2 2 35.465 70.93 1.32761 23.8 3.2 3.1 5.9 157 -4 4 3 35.64 71.281 1.32192 16.2 2.2 2.1 5.9 158 4 -2 1 35.691 71.382 1.3203 32.3 4.4 4.1 5.9 159 -3 7 2 35.734 71.468 1.31893 10.7 1.5 1.4 5.9 160 -2 8 1 36.039 72.078 1.30925 21.0 2.9 2.7 5.9 161 0 8 0 36.151 72.302 1.30574 8.5 1.2 1.1 5.9 162 -3 -5 1 36.193 72.385 1.30445 8.7 1.2 1.1 5.9 163 -3 7 0 36.226 72.452 1.30341 16.9 2.3 2.2 5.9 164 -3 4 4 36.34 72.68 1.29989 20.3 2.8 2.6 6.0 165 1 1 4 36.53 73.061 1.29405 44.6 6.1 5.7 6.0 166 -3 -1 4 36.581 73.161 1.29252 13.1 1.8 1.7 6.0 167 0 4 4 36.635 73.269 1.29088 11.8 1.6 1.5 6.0 168 -1 5 4 36.743 73.485 1.28761 10.2 1.4 1.3 6.0 169 1 -1 4 36.788 73.577 1.28624 9.5 1.3 1.2 6.0 170 -2 8 0 36.863 73.725 1.28402 9.4 1.3 1.2 6.0 171 -1 7 3 36.959 73.919 1.28114 18.9 2.6 2.4 6.0 172 3 3 2 37.403 74.805 1.26813 18.0 2.4 2.3 6.0 173 -2 -5 3 37.529 75.058 1.26449 10.0 1.4 1.3 6.0 174 2 -4 3 37.571 75.143 1.26327 17.1 2.3 2.2 6.0 175 -3 -5 2 38.091 76.183 1.24859 13.7 1.9 1.7 6.0 176 -3 5 4 38.232 76.463 1.24471 27.8 3.8 3.5 6.0 177 -1 -7 2 38.299 76.599 1.24285 10.0 1.4 1.3 6.0 178 0 -6 3 38.464 76.927 1.23836 7.5 1.0 1.0 6.0 179 3 -5 2 38.633 77.266 1.23377 11.4 1.6 1.4 6.0 180 -4 -2 3 38.679 77.358 1.23253 16.6 2.3 2.1 6.0 181 3 5 1 38.918 77.836 1.22616 21.5 2.9 2.7 6.0 182 2 4 3 39.012 78.024 1.22368 8.9 1.2 1.1 6.0 183 -4 2 4 39.095 78.191 1.22148 29.7 4.0 3.7 6.0 184 0 5 4 39.179 78.358 1.21929 12.8 1.7 1.6 6.0 185 -5 3 2 39.476 78.951 1.21161 9.1 1.2 1.1 6.0 186 2 6 2 39.714 79.429 1.20552 29.6 4.0 3.7 6.0 187 3 -1 3 40.143 80.287 1.19478 13.7 1.9 1.7 6.0 188 -1 9 1 40.374 80.749 1.18911 16.1 2.2 2.0 6.1 189 -2 8 3 40.884 81.769 1.17683 7.6 1.0 1.0 6.1 190 3 1 3 40.932 81.864 1.17571 9.5 1.3 1.2 6.1 191 -5 1 0 41.26 82.521 1.16801 19.8 2.7 2.5 6.1 192 -4 -4 2 41.421 82.842 1.16429 10.6 1.4 1.3 6.1 193 -1 3 5 41.567 83.133 1.16095 18.7 2.5 2.3 6.1 194 -1 -1 5 41.621 83.242 1.15971 32.2 4.4 4.0 6.1 195 -2 -6 3 41.715 83.43 1.15757 13.2 1.8 1.6 6.1 196 -5 1 3 41.749 83.497 1.15681 11.6 1.6 1.4 6.1 197 0 -8 2 41.828 83.656 1.15502 13.4 1.8 1.7 6.1 198 3 -3 3 41.874 83.748 1.15398 18.7 2.5 2.3 6.1 199 -5 -1 2 41.973 83.946 1.15177 16.4 2.2 2.0 6.1 200 2 5 3 42.029 84.058 1.15052 14.0 1.9 1.7 6.1 201 -1 9 2 42.194 84.388 1.14686 31.6 4.3 3.9 6.1 202 -1 -5 4 42.374 84.749 1.1429 18.3 2.5 2.3 6.1 203 -5 4 3 42.451 84.902 1.14122 12.2 1.7 1.5 6.1 204 0 0 5 42.549 85.097 1.1391 14.6 2.0 1.8 6.1 205 -3 3 5 42.708 85.416 1.13566 26.8 3.7 3.3 6.1 206 2 -2 4 42.928 85.856 1.13097 25.4 3.5 3.1 6.1 207 1 -9 1 43.073 86.145 1.12791 18.8 2.6 2.3 6.1 208 2 2 4 43.292 86.583 1.12333 7.6 1.0 0.9 6.1 209 3 5 2 43.423 86.846 1.1206 10.9 1.5 1.3 6.1 210 1 7 3 43.541 87.082 1.11817 17.8 2.4 2.2 6.1 211 -1 -7 3 43.611 87.223 1.11673 19.9 2.7 2.5 6.2 212 0 8 3 43.695 87.391 1.11502 11.3 1.5 1.4 6.2 213 -2 -2 5 43.812 87.624 1.11265 11.5 1.6 1.4 6.2 214 -4 8 1 43.923 87.845 1.11041 10.9 1.5 1.3 6.2 215 1 -7 3 44.09 88.179 1.10707 17.5 2.4 2.2 6.2 216 -3 9 2 44.241 88.481 1.10407 27.7 3.8 3.4 6.2 217 -4 6 4 44.327 88.653 1.10237 8.3 1.1 1.0 6.2 218 -2 -8 1 44.393 88.785 1.10107 12.7 1.7 1.6 6.2 219 2 -8 2 44.833 89.667 1.09252 15.8 2.2 1.9 6.2 220 1 -5 4 44.872 89.744 1.09178 10.2 1.4 1.3 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) |