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 2, at 167'C, f-chalkanthite CuSO(4).5H(2)O Triclinic P 1(-) Z = 2 R =0.031 NR =3822 15 .9 .1992 Ref.Str.: Ishakova L.D., Trunov V.K., Shchegoleva T.M., Iliuchin V.V., Vedernikov A.A. (1983) * Kristallogr., 28, 4, 651-657 Reserv: Sample grown in space Initial data from BDM-file Lattice parameters (cub. angs.,degr.): a = 6.091 alpha = 82.41 b = 10.634 beta = 107.55 c = 5.964 gamma = 102.77 Unit cell volume (cub. angs.) = 358.32 Molar volume ( cub.cm/mol.) = 107.91 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 0.0141 0.2858 0.626 0.0 S = 1.00 4 0.0431 0.2997 0.3837 0.0 O = 1.00 5 0.2482 0.3167 0.797 0.0 O = 1.00 6 0.8626 0.3741 0.6377 0.0 O = 1.00 7 0.905 0.1506 0.6747 0.0 O = 1.00 8 0.2911 0.118 0.1526 0.0 O = 1.00 9 0.8153 0.0745 0.1483 0.0 O = 1.00 10 0.5343 0.5953 0.7032 0.0 O = 1.00 11 0.2411 0.5824 0.9796 0.0 O = 1.00 12 0.4334 0.1249 0.631 0.0 O = 1.00 13 0.302 0.199 0.077 0.0 H = 1.00 14 0.334 0.133 0.303 0.0 H = 1.00 15 0.728 0.998 0.227 0.0 H = 1.00 16 0.878 0.116 0.242 0.0 H = 1.00 17 0.662 0.622 0.642 0.0 H = 1.00 18 0.423 0.605 0.587 0.0 H = 1.00 19 0.186 0.585 0.071 0.0 H = 1.00 20 0.156 0.614 0.848 0.0 H = 1.00 21 0.588 0.137 0.659 0.0 H = 1.00 22 0.418 0.192 0.675 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 0.0141 0.2858 0.626 4 4 0.0431 0.2997 0.3837 5 5 0.2482 0.3167 0.797 6 6 0.8626 0.3741 0.6377 7 7 0.905 0.1506 0.6747 8 8 0.2911 0.118 0.1526 9 9 0.8153 0.0745 0.1483 10 10 0.5343 0.5953 0.7032 11 11 0.2411 0.5824 0.9796 12 12 0.4334 0.1249 0.631 13 13 0.302 0.199 0.077 14 14 0.334 0.133 0.303 15 15 0.728 0.998 0.227 16 16 0.878 0.116 0.242 17 17 0.662 0.622 0.642 18 18 0.423 0.605 0.587 19 19 0.186 0.585 0.071 20 20 0.156 0.614 0.848 21 21 0.588 0.137 0.659 22 22 0.418 0.192 0.675 23 3 0.9859 0.7142 0.374 24 4 0.9569 0.7003 0.6163 25 5 0.7518 0.6833 0.203 26 6 0.1374 0.6259 0.3623 27 7 0.095 0.8494 0.3253 28 8 0.7089 0.882 0.8474 29 9 0.1847 0.9255 0.8517 30 10 0.4657 0.4047 0.2968 31 11 0.7589 0.4176 0.0204 32 12 0.5666 0.8751 0.369 33 13 0.698 0.801 0.923 34 14 0.666 0.867 0.697 35 15 0.272 0.002 0.773 36 16 0.122 0.884 0.758 37 17 0.338 0.378 0.358 38 18 0.577 0.395 0.413 39 19 0.814 0.415 0.929 40 20 0.844 0.386 0.152 41 21 0.412 0.863 0.341 42 22 0.582 0.808 0.325 X-ray density (g/cm cub.) = 2.31 MU (1/cm) = 72.997 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 2.3612 7 1.9727 8 1.9633 9 2.3612 7 1.9727 8 1.9633 9 2 Cu 2.808 6 2.4082 5 1.9646 10 1.933 11 2.4082 5 1.9646 10 1.933 11 3 S 1.98 4 1.4923 4 1.4784 5 1.4752 6 1.4757 7 4 O 3.264 7 2.4145 5 2.4156 6 2.4078 7 2.8064 9 3.2244 12 2.7427 10 2.6913 11 5 O 3.264 9 2.4145 4 2.4344 6 2.4104 7 2.7851 8 3.1614 10 3.1727 11 2.9388 12 3.0534 10 3.0009 11 6 O 3.264 6 2.4156 4 2.4344 5 2.4213 7 3.2373 11 2.7005 10 2.6646 11 7 O 3.264 9 2.4078 4 2.4104 5 2.4213 6 3.1355 8 3.0105 9 3.2017 9 2.7594 12 3.017 8 3.1301 9 8 O 3.264 7 2.7851 5 3.1355 7 2.8248 9 2.7264 12 3.017 7 2.7411 9 3.1422 10 9 O 3.264 7 2.8064 4 3.2017 7 3.0105 7 2.8248 8 3.1301 7 2.7411 8 2.7511 12 10 O 3.264 8 3.1614 5 2.7446 11 2.7427 4 3.0534 5 2.7005 6 3.1422 8 3.2357 10 2.7675 11 11 O 3.264 8 3.1727 5 3.2373 6 2.7446 10 2.6913 4 3.0009 5 2.6646 6 2.7675 10 3.1305 11 12 O 3.264 5 3.2244 4 2.9388 5 2.7594 7 2.7264 8 2.7511 9 13 H 1.632 1 0.9164 8 14 H 1.632 1 0.8811 8 15 H 1.632 1 1.0116 9 16 H 1.632 1 0.7175 9 17 H 1.632 1 0.9301 10 18 H 1.632 1 0.8241 10 19 H 1.632 1 0.7273 11 20 H 1.632 1 0.8715 11 21 H 1.632 1 0.888 12 22 H 1.632 1 0.825 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 4.27 8.54 0.048 357.77 2 8.9 44.0 2 1 0 0 7.767 15.534 0.088 106.56 2 36.7 223.6 3 0 0 1 7.805 15.609 0.088 105.51 2 25.0 102.7 4 -1 1 0 8.12 16.239 0.092 97.31 2 52.2 413.7 5 0 2 0 8.564 17.128 0.097 87.25 2 21.8 64.5 6 0 1 1 8.639 17.278 0.098 85.71 2 31.2 130.1 7 0 -1 1 9.172 18.344 0.103 75.79 2 18.6 40.9 8 -1 0 1 9.345 18.689 0.105 72.93 2 22.8 59.3 9 -1 1 1 9.391 18.783 0.106 72.19 2 81.6 749.4 10 1 1 0 9.575 19.149 0.108 69.37 2 35.8 138.5 11 -1 2 0 10.422 20.843 0.117 58.21 2 29.3 78.1 12 -1 -1 1 11.119 22.238 0.125 50.88 2 36.7 106.6 13 0 2 1 11.207 22.413 0.126 50.06 2 80.0 499.0 14 -1 2 1 11.237 22.475 0.126 49.77 2 13.7 14.5 15 0 -2 1 12.033 24.066 0.135 43.14 2 91.7 564.8 16 1 0 1 12.527 25.054 0.141 39.64 2 20.7 26.4 17 1 2 0 12.676 25.353 0.142 38.67 2 47.5 135.9 18 0 3 0 12.907 25.814 0.145 37.22 2 22.1 28.4 19 1 -1 1 12.941 25.882 0.145 37.02 2 38.3 84.5 20 1 1 1 13.566 27.133 0.152 33.5 2 84.2 369.6 21 -1 3 0 13.761 27.522 0.154 32.51 2 52.3 138.4 22 -1 -2 1 14.07 28.14 0.158 31.01 2 43.5 91.3 23 -1 3 1 14.229 28.457 0.16 30.28 2 1.1 0.1 24 0 3 1 14.662 29.324 0.164 28.4 2 44.1 86.0 25 1 -2 1 14.695 29.39 0.165 28.26 2 59.5 155.9 26 -2 1 1 15.026 30.053 0.168 26.94 2 15.4 9.9 27 -1 1 2 15.363 30.725 0.172 25.69 2 15.0 9.0 28 -2 0 1 15.433 30.866 0.173 25.44 2 9.7 3.7 29 -2 1 0 15.44 30.881 0.173 25.42 2 37.7 56.3 30 -1 0 2 15.492 30.984 0.173 25.23 2 17.6 12.2 31 0 -3 1 15.632 31.263 0.175 24.75 2 16.7 10.7 32 2 0 0 15.681 31.363 0.175 24.58 2 58.0 128.6 33 0 0 2 15.759 31.518 0.176 24.32 2 19.4 14.2 34 1 2 1 15.795 31.59 0.177 24.2 2 2.1 0.2 35 -2 2 1 15.863 31.725 0.177 23.98 2 92.3 318.0 36 0 1 2 16.052 32.105 0.179 23.37 2 53.9 105.7 37 1 3 0 16.402 32.804 0.183 22.31 2 103.2 369.9 38 -2 2 0 16.408 32.817 0.183 22.29 2 5.0 0.9 39 -1 2 2 16.442 32.884 0.184 22.19 2 46.3 74.1 40 0 -1 2 16.656 33.312 0.186 21.58 2 30.5 31.3 41 -1 -1 2 16.806 33.611 0.188 21.16 2 80.8 215.3 42 -2 -1 1 17.002 34.004 0.19 20.64 2 8.8 2.5 43 2 1 0 17.085 34.171 0.191 20.42 2 20.2 13.0 44 0 4 0 17.327 34.655 0.193 19.8 2 3.1 0.3 45 1 -3 1 17.421 34.842 0.194 19.57 2 31.7 30.6 46 0 2 2 17.482 34.965 0.195 19.42 2 16.9 8.7 47 -1 4 0 17.61 35.221 0.196 19.11 2 43.1 55.2 48 -1 -3 1 17.667 35.334 0.197 18.98 2 21.6 13.7 49 -2 3 1 17.784 35.568 0.198 18.71 2 4.5 0.6 50 -1 4 1 17.848 35.696 0.199 18.56 2 36.5 38.5 51 -2 3 0 18.416 36.831 0.205 17.33 2 36.7 36.4 52 -2 1 2 18.477 36.953 0.206 17.2 2 2.3 0.1 53 -1 3 2 18.542 37.085 0.206 17.07 2 23.2 14.3 54 0 4 1 18.573 37.146 0.207 17.01 2 51.0 68.9 55 0 -2 2 18.59 37.18 0.207 16.97 2 88.6 207.4 56 1 3 1 18.837 37.673 0.21 16.49 2 55.3 78.6 57 -2 0 2 18.95 37.9 0.211 16.27 2 0.8 0.0 58 -2 2 2 19.048 38.095 0.212 16.09 2 45.0 50.7 59 -1 -2 2 19.087 38.174 0.212 16.01 2 37.7 35.4 60 2 2 0 19.43 38.861 0.216 15.39 2 35.5 30.1 61 -2 -2 1 19.486 38.972 0.217 15.3 2 13.5 4.4 62 2 -1 1 19.5 39.0 0.217 15.27 2 1.0 0.0 63 2 0 1 19.568 39.136 0.217 15.15 2 16.3 6.3 64 1 0 2 19.616 39.232 0.218 15.07 2 24.3 13.9 65 0 -4 1 19.628 39.256 0.218 15.05 2 34.2 27.5 66 0 3 2 19.834 39.668 0.22 14.71 2 23.5 12.6 67 1 -1 2 20.023 40.046 0.222 14.4 2 32.5 23.7 68 1 1 2 20.203 40.406 0.224 14.12 2 18.7 7.7 69 -2 -1 2 20.405 40.811 0.226 13.8 2 0.7 0.0 70 2 -2 1 20.423 40.846 0.227 13.78 2 32.2 22.3 71 1 4 0 20.479 40.957 0.227 13.69 2 4.0 0.3 72 -2 4 1 20.527 41.054 0.228 13.62 2 38.3 31.0 73 -2 3 2 20.589 41.177 0.228 13.53 2 54.8 63.3 74 2 1 1 20.619 41.238 0.229 13.49 2 17.4 6.3 75 1 -4 1 20.792 41.583 0.23 13.24 2 11.4 2.7 76 -2 4 0 21.21 42.42 0.235 12.66 2 73.1 105.3 77 0 -3 2 21.321 42.641 0.236 12.51 2 17.8 6.2 78 1 -2 2 21.377 42.753 0.237 12.44 2 2.4 0.1 79 -1 4 2 21.408 42.816 0.237 12.4 2 2.2 0.1 80 -1 -4 1 21.657 43.313 0.24 12.08 2 24.0 10.9 81 1 2 2 21.716 43.433 0.24 12.01 2 6.6 0.8 82 -1 5 0 21.771 43.542 0.241 11.94 2 2.8 0.1 83 -1 5 1 21.853 43.706 0.242 11.84 2 54.5 54.9 84 0 5 0 21.857 43.713 0.242 11.84 2 30.2 16.8 85 -1 -3 2 22.084 44.169 0.244 11.56 2 36.8 24.4 86 2 -3 1 22.235 44.469 0.246 11.39 2 1.4 0.0 87 -3 1 1 22.329 44.657 0.247 11.28 2 29.5 15.3 88 1 4 1 22.422 44.845 0.248 11.17 2 10.7 2.0 89 2 3 0 22.472 44.944 0.248 11.12 2 44.0 33.6 90 2 2 1 22.54 45.08 0.249 11.04 2 95.9 158.1 91 -3 2 1 22.623 45.246 0.25 10.95 2 8.3 1.2 92 -2 -3 1 22.636 45.272 0.25 10.94 2 20.5 7.2 93 -2 -2 2 22.687 45.373 0.25 10.88 2 25.6 11.1 94 0 5 1 22.78 45.561 0.251 10.78 2 3.9 0.3 95 -1 1 3 22.837 45.673 0.252 10.72 2 21.9 8.0 96 0 4 2 22.873 45.746 0.252 10.68 2 50.1 41.7 97 -3 0 1 22.93 45.86 0.253 10.62 2 5.7 0.5 98 -2 4 2 22.939 45.878 0.253 10.61 2 67.8 76.0 99 -1 0 3 23.043 46.086 0.254 10.51 2 19.9 6.5 100 -3 1 0 23.448 46.896 0.258 10.1 2 48.1 36.4 101 -1 2 3 23.51 47.02 0.259 10.04 2 26.3 10.8 102 1 -3 2 23.544 47.088 0.259 10.01 2 56.0 48.8 103 -3 3 1 23.788 47.576 0.262 9.77 2 53.9 44.2 104 -3 2 0 23.842 47.685 0.262 9.72 2 42.7 27.6 105 -2 5 1 23.867 47.734 0.263 9.7 2 13.0 2.5 106 0 -5 1 23.901 47.802 0.263 9.67 2 33.8 17.2 107 3 0 0 23.918 47.836 0.263 9.65 2 1.8 0.0 108 1 3 2 24.016 48.032 0.264 9.56 2 74.6 82.8 109 0 0 3 24.041 48.082 0.264 9.54 2 80.8 97.0 110 -1 -1 3 24.111 48.223 0.265 9.48 2 48.0 34.0 111 -3 1 2 24.137 48.274 0.265 9.46 2 51.3 38.8 112 0 1 3 24.139 48.278 0.265 9.45 2 18.6 5.1 113 -3 2 2 24.306 48.613 0.267 9.31 2 3.4 0.2 114 -3 -1 1 24.376 48.751 0.268 9.25 2 35.0 17.7 115 -2 1 3 24.391 48.782 0.268 9.23 2 19.0 5.2 116 -2 5 0 24.583 49.166 0.27 9.07 2 5.9 0.5 117 1 -5 1 24.613 49.226 0.27 9.05 2 32.4 14.7 118 0 -4 2 24.642 49.285 0.271 9.02 2 64.9 59.2 119 -2 2 3 24.743 49.486 0.272 8.94 2 21.8 6.6 120 2 -4 1 24.782 49.564 0.272 8.91 2 41.5 23.9 121 0 -1 3 24.788 49.576 0.272 8.9 2 29.0 11.7 122 -3 0 2 24.812 49.623 0.272 8.88 2 4.1 0.2 123 1 5 0 24.816 49.632 0.272 8.88 2 28.3 11.1 124 -1 5 2 24.836 49.672 0.273 8.86 2 34.2 16.1 125 -2 0 3 24.878 49.756 0.273 8.83 2 96.0 126.6 126 -1 3 3 25.009 50.017 0.274 8.72 2 41.7 23.7 127 -3 3 0 25.07 50.14 0.275 8.67 2 56.2 42.6 128 0 2 3 25.075 50.149 0.275 8.67 2 24.2 7.9 129 2 3 1 25.175 50.35 0.276 8.59 2 8.6 1.0 130 3 1 0 25.215 50.43 0.277 8.56 2 42.9 24.6 131 -3 3 2 25.307 50.613 0.277 8.49 2 74.7 73.7 132 -1 -4 2 25.612 51.225 0.281 8.26 2 4.9 0.3 133 -2 -3 2 25.625 51.25 0.281 8.25 2 20.6 5.4 134 2 0 2 25.709 51.417 0.282 8.19 2 69.4 61.5 135 -3 4 1 25.732 51.464 0.282 8.17 2 31.3 12.5 136 2 -1 2 25.758 51.516 0.282 8.16 2 43.4 23.9 137 -2 3 3 25.909 51.818 0.284 8.05 2 8.7 0.9 138 -2 5 2 25.932 51.864 0.284 8.03 2 19.2 4.6 139 -1 -5 1 25.942 51.884 0.284 8.03 2 86.0 92.5 140 -1 -2 3 25.962 51.923 0.284 8.01 2 33.4 13.9 141 2 4 0 26.033 52.066 0.285 7.96 2 48.5 29.1 142 -1 6 1 26.151 52.303 0.286 7.88 2 5.0 0.3 143 -2 -1 3 26.17 52.34 0.286 7.87 2 7.6 0.7 144 -1 6 0 26.183 52.366 0.286 7.86 2 17.0 3.5 145 -3 -1 2 26.282 52.564 0.287 7.79 2 33.9 13.9 146 -2 -4 1 26.283 52.566 0.287 7.79 2 46.0 25.6 147 0 -2 3 26.327 52.653 0.288 7.76 2 31.2 11.8 148 1 -4 2 26.375 52.751 0.288 7.73 2 0.7 0.0 149 1 5 1 26.409 52.817 0.289 7.71 2 61.8 45.9 150 0 5 2 26.431 52.862 0.289 7.69 2 16.8 3.4 151 2 1 2 26.464 52.928 0.289 7.67 2 3.1 0.1 152 0 6 0 26.535 53.07 0.29 7.62 2 28.5 9.6 153 -3 -2 1 26.563 53.125 0.29 7.6 2 22.5 6.0 154 2 -2 2 26.609 53.218 0.291 7.57 2 35.1 14.6 155 0 3 3 26.783 53.566 0.293 7.46 2 2.2 0.1 156 1 4 2 26.954 53.908 0.294 7.36 2 11.8 1.6 157 -3 4 0 27.047 54.094 0.295 7.3 2 24.1 6.6 158 -3 4 2 27.071 54.142 0.295 7.28 2 4.6 0.2 159 3 -1 1 27.22 54.44 0.297 7.19 2 43.3 21.0 160 -1 4 3 27.233 54.465 0.297 7.19 2 26.8 8.0 161 0 6 1 27.238 54.477 0.297 7.18 2 13.4 2.0 162 3 2 0 27.254 54.507 0.297 7.17 2 17.4 3.4 163 3 0 1 27.543 55.087 0.3 7.0 2 27.4 8.2 164 1 0 3 27.642 55.285 0.301 6.95 2 11.0 1.3 165 -2 6 1 27.663 55.327 0.301 6.93 2 58.5 36.9 166 3 -2 1 27.674 55.348 0.301 6.93 2 15.1 2.5 167 -2 4 3 27.815 55.631 0.303 6.85 2 51.6 28.4 168 2 -5 1 27.924 55.847 0.304 6.79 2 3.5 0.1 169 2 2 2 27.979 55.958 0.305 6.76 2 31.7 10.5 170 1 1 3 27.999 55.997 0.305 6.75 2 55.1 31.9 171 1 -1 3 28.055 56.111 0.305 6.72 2 25.1 6.6 172 -2 -2 3 28.188 56.376 0.307 6.64 2 24.0 5.9 173 2 -3 2 28.211 56.421 0.307 6.63 2 13.2 1.8 174 -3 5 1 28.344 56.687 0.308 6.56 2 90.8 84.3 175 2 4 1 28.389 56.778 0.309 6.54 2 68.2 47.3 176 -2 6 0 28.408 56.815 0.309 6.53 2 38.1 14.8 177 0 -6 1 28.423 56.847 0.309 6.52 2 44.6 20.2 178 0 -5 2 28.425 56.851 0.309 6.52 2 2.8 0.1 179 -3 1 3 28.452 56.904 0.309 6.51 2 60.3 36.9 180 -3 -2 2 28.461 56.923 0.309 6.5 2 0.2 0.0 181 -1 -3 3 28.487 56.974 0.31 6.49 2 80.3 65.1 182 -3 2 3 28.506 57.011 0.31 6.48 2 18.4 3.4 183 0 -3 3 28.567 57.135 0.31 6.45 2 2.2 0.0 184 3 1 1 28.626 57.252 0.311 6.42 2 65.9 43.4 185 -1 6 2 28.706 57.411 0.312 6.38 2 6.5 0.4 186 1 -6 1 28.795 57.59 0.313 6.33 2 5.7 0.3 187 3 -3 1 28.88 57.76 0.314 6.29 2 31.8 9.9 188 -2 -4 2 29.093 58.185 0.316 6.19 2 80.4 62.4 189 1 2 3 29.106 58.211 0.316 6.18 2 29.7 8.5 190 -3 0 3 29.151 58.302 0.316 6.16 2 5.2 0.3 191 0 4 3 29.172 58.344 0.316 6.15 2 29.3 8.2 192 1 -2 3 29.216 58.432 0.317 6.13 2 1.5 0.0 193 -3 3 3 29.31 58.619 0.318 6.08 2 48.4 22.2 194 -3 -3 1 29.38 58.76 0.318 6.05 2 34.0 10.9 195 1 6 0 29.401 58.801 0.319 6.04 2 29.6 8.2 196 -2 6 2 29.445 58.89 0.319 6.02 2 71.6 48.1 197 -3 5 2 29.507 59.014 0.32 5.99 2 21.7 4.4 198 -1 -5 2 29.566 59.132 0.32 5.97 2 49.9 23.2 199 -3 5 0 29.674 59.348 0.321 5.92 2 32.0 9.4 200 1 -5 2 29.751 59.501 0.322 5.88 2 57.5 30.3 201 3 3 0 29.933 59.867 0.324 5.8 2 43.3 16.9 202 2 5 0 30.016 60.031 0.325 5.77 2 27.5 6.8 203 -1 5 3 30.077 60.155 0.325 5.74 2 41.8 15.6 204 2 3 2 30.177 60.355 0.326 5.7 2 18.3 3.0 205 -2 -5 1 30.337 60.674 0.328 5.63 2 29.7 7.7 206 -2 5 3 30.372 60.744 0.328 5.62 2 10.1 0.9 207 0 6 2 30.413 60.826 0.329 5.6 2 49.6 21.5 208 3 2 1 30.416 60.832 0.329 5.6 2 14.1 1.7 209 1 5 2 30.42 60.839 0.329 5.6 2 44.3 17.1 210 2 -4 2 30.487 60.974 0.329 5.57 2 32.5 9.2 211 -1 -6 1 30.503 61.005 0.329 5.56 2 3.9 0.1 212 -4 2 1 30.511 61.021 0.33 5.56 2 65.2 36.8 213 -4 1 1 30.526 61.051 0.33 5.55 2 23.1 4.6 214 -3 -1 3 30.57 61.14 0.33 5.54 2 23.5 4.8 215 -1 7 1 30.725 61.451 0.332 5.47 2 26.4 5.9 216 1 6 1 30.738 61.476 0.332 5.47 2 8.1 0.6 217 3 -4 1 30.783 61.566 0.332 5.45 2 35.5 10.7 218 -3 4 3 30.827 61.654 0.333 5.43 2 43.0 15.6 219 -2 -3 3 30.842 61.684 0.333 5.43 2 16.0 2.2 220 -1 7 0 30.847 61.693 0.333 5.43 2 61.0 31.4 221 1 3 3 30.912 61.825 0.333 5.4 2 37.7 12.0 222 1 -3 3 31.072 62.144 0.335 5.34 2 47.9 19.1 223 -1 1 4 31.174 62.348 0.336 5.3 2 62.0 31.7 224 -4 3 1 31.217 62.435 0.336 5.29 2 23.4 4.5 225 -4 2 2 31.234 62.468 0.337 5.28 2 40.4 13.5 226 -3 -3 2 31.258 62.517 0.337 5.27 2 24.9 5.1 227 -4 0 1 31.261 62.522 0.337 5.27 2 59.1 28.6 228 -4 1 2 31.34 62.68 0.338 5.24 2 3.0 0.1 229 0 7 0 31.413 62.826 0.338 5.21 2 39.2 12.5 230 0 -4 3 31.419 62.838 0.338 5.21 2 35.3 10.1 231 -1 0 4 31.432 62.865 0.339 5.21 2 15.8 2.0 232 -3 6 1 31.524 63.048 0.339 5.17 2 26.9 5.8 233 2 -6 1 31.563 63.127 0.34 5.16 2 58.7 27.7 234 -1 -4 3 31.591 63.182 0.34 5.15 2 5.1 0.2 235 -1 2 4 31.63 63.26 0.34 5.13 2 7.4 0.4 236 -2 1 4 31.79 63.579 0.342 5.08 2 33.6 8.9 237 -4 3 2 31.84 63.681 0.342 5.06 2 15.4 1.9 238 -2 7 1 31.851 63.702 0.343 5.06 2 35.5 9.9 239 0 7 1 31.956 63.913 0.344 5.02 2 3.8 0.1 240 -2 2 4 31.995 63.991 0.344 5.01 2 67.1 35.1 241 2 5 1 32.091 64.182 0.345 4.98 2 27.1 5.7 242 -4 1 0 32.096 64.193 0.345 4.97 2 2.8 0.1 243 0 5 3 32.153 64.306 0.345 4.95 2 12.5 1.2 244 -4 0 2 32.156 64.311 0.345 4.95 2 46.7 16.8 245 -4 2 0 32.173 64.345 0.346 4.95 2 19.2 2.8 246 -2 0 4 32.291 64.581 0.347 4.91 2 23.9 4.4 247 -1 -1 4 32.396 64.792 0.348 4.87 2 45.1 15.5 248 -3 6 2 32.529 65.057 0.349 4.83 2 2.5 0.0 249 0 -6 2 32.609 65.218 0.35 4.81 2 14.2 1.5 250 -4 4 1 32.619 65.237 0.35 4.8 2 20.4 3.1 251 -2 7 0 32.626 65.252 0.35 4.8 2 41.7 13.0 252 -3 -2 3 32.655 65.31 0.35 4.79 2 0.3 0.0 253 -4 -1 1 32.69 65.38 0.351 4.78 2 11.9 1.1 254 4 0 0 32.723 65.445 0.351 4.77 2 66.4 32.7 255 -3 -4 1 32.74 65.479 0.351 4.76 2 12.8 1.2 256 -1 3 4 32.784 65.569 0.351 4.75 2 29.0 6.2 257 3 3 1 32.847 65.693 0.352 4.73 2 1.3 0.0 258 -3 6 0 32.866 65.732 0.352 4.73 2 4.6 0.2 259 0 1 4 32.892 65.783 0.353 4.72 2 8.3 0.5 260 0 0 4 32.901 65.802 0.353 4.71 2 1.6 0.0 261 -2 3 4 32.901 65.802 0.353 4.71 2 14.3 1.5 262 -4 3 0 32.948 65.897 0.353 4.7 2 16.3 1.9 263 -1 7 2 32.964 65.929 0.353 4.7 2 55.3 22.4 264 2 4 2 32.983 65.967 0.353 4.69 2 17.2 2.2 265 -3 5 3 33.001 66.002 0.354 4.68 2 36.7 9.8 266 -2 -5 2 33.015 66.03 0.354 4.68 2 8.4 0.5 267 3 -1 2 33.022 66.045 0.354 4.68 2 52.8 20.3 268 -4 4 2 33.138 66.277 0.355 4.64 2 19.3 2.7 269 3 4 0 33.172 66.344 0.355 4.63 2 25.6 4.7 270 0 -7 1 33.214 66.428 0.356 4.62 2 28.6 5.9 271 3 0 2 33.222 66.444 0.356 4.62 2 8.1 0.5 272 2 0 3 33.277 66.555 0.356 4.6 2 68.2 33.3 273 1 -7 1 33.314 66.627 0.357 4.59 2 28.7 5.9 274 3 -5 1 33.315 66.63 0.357 4.59 2 35.5 9.0 275 1 4 3 33.355 66.711 0.357 4.58 2 8.0 0.5 276 2 -5 2 33.362 66.724 0.357 4.58 2 31.1 6.9 277 2 -1 3 33.408 66.816 0.357 4.56 2 9.6 0.7 278 -2 7 2 33.408 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2 40.729 81.458 0.424 3.17 2 4.7 0.1 451 -4 4 4 40.746 81.492 0.424 3.17 2 8.8 0.4 452 -3 8 0 40.778 81.555 0.424 3.16 2 5.8 0.2 453 -4 7 2 40.799 81.599 0.424 3.16 2 3.1 0.0 454 -5 0 2 40.8 81.599 0.424 3.16 2 15.9 1.2 455 -5 4 2 40.808 81.616 0.424 3.16 2 27.1 3.6 456 -1 0 5 40.836 81.672 0.424 3.16 2 8.3 0.3 457 -2 -4 4 40.844 81.689 0.425 3.16 2 14.4 1.0 458 -1 2 5 40.849 81.699 0.425 3.15 2 3.2 0.1 459 -1 9 1 40.854 81.707 0.425 3.15 2 57.8 16.4 460 2 7 1 40.854 81.707 0.425 3.15 2 31.2 4.8 461 -5 4 1 40.928 81.856 0.425 3.15 2 0.6 0.0 462 -3 -6 1 40.939 81.879 0.425 3.14 2 1.6 0.0 463 -2 0 5 41.015 82.03 0.426 3.14 2 30.2 4.5 464 3 -2 3 41.032 82.063 0.426 3.13 2 24.2 2.8 465 -3 6 4 41.052 82.104 0.426 3.13 2 5.4 0.1 466 -1 9 0 41.126 82.252 0.427 3.12 2 12.1 0.7 467 3 6 0 41.173 82.346 0.427 3.12 2 10.1 0.5 468 -2 8 3 41.317 82.634 0.429 3.1 2 41.7 8.4 469 1 4 4 41.326 82.651 0.429 3.1 2 19.7 1.9 470 -2 3 5 41.327 82.654 0.429 3.1 2 2.4 0.0 471 3 1 3 41.338 82.675 0.429 3.1 2 32.3 5.1 472 -3 -3 4 41.383 82.766 0.429 3.1 2 3.2 0.0 473 -2 9 1 41.416 82.832 0.429 3.09 2 24.9 3.0 474 -5 2 0 41.564 83.129 0.431 3.08 2 17.9 1.5 475 4 -1 2 41.65 83.299 0.431 3.07 2 7.4 0.3 476 -5 2 3 41.699 83.397 0.432 3.07 2 16.2 1.3 477 4 4 0 41.707 83.415 0.432 3.07 2 28.4 3.8 478 -5 1 0 41.718 83.436 0.432 3.06 2 57.6 15.9 479 -1 8 3 41.727 83.454 0.432 3.06 2 2.9 0.0 480 -4 -3 3 41.733 83.467 0.432 3.06 2 32.4 5.0 481 4 3 1 41.782 83.564 0.433 3.06 2 31.6 4.8 482 -1 -1 5 41.79 83.581 0.433 3.06 2 31.7 4.8 483 -1 3 5 41.817 83.633 0.433 3.06 2 54.5 14.1 484 -4 -4 2 41.847 83.694 0.433 3.05 2 47.5 10.8 485 4 -2 2 41.883 83.765 0.433 3.05 2 30.7 4.5 486 -5 3 3 41.938 83.876 0.434 3.04 2 28.8 3.9 487 3 -6 2 41.979 83.959 0.434 3.04 2 24.4 2.8 488 -2 -6 3 42.043 84.085 0.435 3.03 2 51.0 12.3 489 -4 -1 4 42.044 84.088 0.435 3.03 2 18.4 1.6 490 -5 3 0 42.05 84.1 0.435 3.03 2 49.5 11.6 491 4 0 2 42.056 84.111 0.435 3.03 2 29.4 4.1 492 0 9 0 42.076 84.152 0.435 3.03 2 16.7 1.3 493 -5 1 3 42.098 84.196 0.435 3.03 2 50.8 12.2 494 -5 -1 1 42.107 84.214 0.435 3.03 2 40.6 7.8 495 1 -4 4 42.171 84.343 0.436 3.02 2 0.1 0.0 496 2 0 4 42.178 84.356 0.436 3.02 2 4.7 0.1 497 -2 -1 5 42.191 84.381 0.436 3.02 2 21.8 2.2 498 -2 -7 2 42.191 84.382 0.436 3.02 2 3.4 0.1 499 0 -8 2 42.208 84.415 0.436 3.02 2 41.3 8.0 500 3 -3 3 42.21 84.419 0.436 3.02 2 57.3 15.4 501 -2 9 0 42.283 84.566 0.437 3.01 2 33.0 5.1 502 2 -1 4 42.381 84.761 0.438 3.0 2 3.4 0.1 503 -5 -1 2 42.397 84.794 0.438 3.0 2 59.1 16.4 504 0 9 1 42.4 84.801 0.438 3.0 2 27.2 3.4 505 -4 5 4 42.406 84.812 0.438 3.0 2 24.7 2.8 506 -5 5 2 42.41 84.82 0.438 3.0 2 16.5 1.3 507 -3 2 5 42.423 84.846 0.438 3.0 2 1.2 0.0 508 -3 -5 3 42.424 84.848 0.438 3.0 2 9.6 0.4 509 -4 7 0 42.466 84.931 0.438 3.0 2 27.1 3.4 510 5 0 0 42.51 85.019 0.439 2.99 2 9.5 0.4 511 2 5 3 42.528 85.055 0.439 2.99 2 36.4 6.2 512 -3 1 5 42.541 85.083 0.439 2.99 2 31.6 4.7 513 -1 -5 4 42.608 85.216 0.439 2.99 2 47.3 10.4 514 -5 5 1 42.611 85.221 0.439 2.99 2 57.3 15.2 515 2 1 4 42.614 85.227 0.439 2.98 2 1.9 0.0 516 1 -8 2 42.672 85.344 0.44 2.98 2 4.9 0.1 517 -2 9 2 42.674 85.347 0.44 2.98 2 5.3 0.1 518 0 1 5 42.674 85.348 0.44 2.98 2 21.4 2.1 519 -2 4 5 42.708 85.417 0.44 2.98 2 43.0 8.6 520 -1 9 2 42.709 85.418 0.44 2.98 2 59.1 16.2 521 3 2 3 42.717 85.433 0.44 2.98 2 3.1 0.0 522 0 6 4 42.733 85.467 0.44 2.98 2 30.4 4.3 523 4 -3 2 42.754 85.507 0.441 2.97 2 23.5 2.5 524 0 0 5 42.764 85.528 0.441 2.97 2 55.4 14.2 525 -5 4 3 42.815 85.631 0.441 2.97 2 22.9 2.4 526 0 -5 4 42.827 85.654 0.441 2.97 2 36.2 6.1 527 -3 -6 2 42.832 85.665 0.441 2.97 2 16.7 1.3 528 -2 7 4 42.888 85.776 0.442 2.96 2 24.9 2.9 529 -3 3 5 42.942 85.884 0.442 2.96 2 51.5 12.2 530 -3 8 3 43.012 86.024 0.443 2.95 2 9.6 0.4 531 4 1 2 43.098 86.197 0.444 2.95 2 6.5 0.2 532 -5 0 3 43.134 86.268 0.444 2.94 2 0.6 0.0 533 0 -7 3 43.137 86.273 0.444 2.94 2 38.3 6.7 534 4 -6 1 43.138 86.277 0.444 2.94 2 44.5 9.1 535 -4 7 3 43.155 86.311 0.444 2.94 2 22.5 2.3 536 -5 4 0 43.172 86.344 0.444 2.94 2 37.5 6.5 537 2 -2 4 43.22 86.44 0.445 2.94 2 66.4 20.2 538 0 2 5 43.221 86.441 0.445 2.94 2 30.4 4.2 539 -3 0 5 43.297 86.593 0.445 2.93 2 20.1 1.8 540 -1 -2 5 43.378 86.756 0.446 2.93 2 21.8 2.2 541 -1 4 5 43.417 86.834 0.446 2.92 2 25.3 2.9 542 0 -1 5 43.491 86.982 0.447 2.92 2 7.1 0.2 543 1 -9 1 43.52 87.04 0.447 2.92 2 62.5 17.8 544 3 6 1 43.529 87.057 0.447 2.92 2 17.3 1.4 545 1 8 2 43.602 87.205 0.448 2.91 2 24.2 2.7 546 -1 7 4 43.667 87.335 0.448 2.91 2 20.3 1.9 547 2 2 4 43.685 87.37 0.448 2.9 2 41.2 7.7 548 -1 -8 2 43.842 87.684 0.45 2.89 2 30.0 4.1 549 2 -6 3 43.851 87.702 0.45 2.89 2 40.4 7.3 550 0 -9 1 43.871 87.742 0.45 2.89 2 5.8 0.2 551 5 1 0 43.936 87.871 0.45 2.89 2 6.5 0.2 552 -1 -7 3 43.954 87.909 0.451 2.89 2 43.2 8.4 553 3 5 2 43.993 87.985 0.451 2.88 2 40.0 7.2 554 -2 -2 5 43.998 87.995 0.451 2.88 2 35.8 5.8 555 3 -4 3 44.019 88.037 0.451 2.88 2 10.5 0.5 556 -3 9 1 44.075 88.15 0.452 2.88 2 23.6 2.5 557 1 7 3 44.085 88.17 0.452 2.88 2 48.3 10.5 558 1 5 4 44.089 88.178 0.452 2.88 2 46.9 9.9 559 -3 4 5 44.096 88.192 0.452 2.88 2 10.5 0.5 560 -3 7 4 44.205 88.409 0.453 2.87 2 4.1 0.1 561 -4 -2 4 44.212 88.425 0.453 2.87 2 31.6 4.5 562 0 8 3 44.234 88.467 0.453 2.87 2 50.7 11.5 563 -5 -2 1 44.252 88.503 0.453 2.87 2 13.1 0.8 564 4 -4 2 44.258 88.516 0.453 2.87 2 32.8 4.8 565 3 -8 1 44.279 88.558 0.453 2.87 2 15.0 1.0 566 -5 5 3 44.326 88.652 0.454 2.86 2 9.4 0.4 567 -4 8 1 44.384 88.768 0.454 2.86 2 37.1 6.1 568 0 3 5 44.402 88.805 0.454 2.86 2 23.2 2.4 569 2 8 0 44.404 88.808 0.454 2.86 2 36.2 5.8 570 1 -7 3 44.414 88.828 0.454 2.86 2 50.1 11.2 571 -2 -5 4 44.486 88.972 0.455 2.86 2 24.1 2.6 572 -4 8 2 44.532 89.063 0.455 2.85 2 32.0 4.6 573 -4 -5 1 44.552 89.104 0.455 2.85 2 4.3 0.1 574 -3 -4 4 44.606 89.211 0.456 2.85 2 4.8 0.1 575 -5 -2 2 44.622 89.244 0.456 2.85 2 16.9 1.3 576 -5 6 2 44.639 89.278 0.456 2.85 2 3.1 0.0 577 2 7 2 44.652 89.304 0.456 2.85 2 11.8 0.6 578 -3 -1 5 44.686 89.372 0.456 2.84 2 27.8 3.4 579 2 -3 4 44.693 89.386 0.457 2.84 2 13.9 0.9 580 -4 6 4 44.693 89.387 0.457 2.84 2 45.3 9.1 581 -2 5 5 44.72 89.439 0.457 2.84 2 24.3 2.6 582 3 3 3 44.726 89.452 0.457 2.84 2 28.8 3.7 583 -3 9 2 44.734 89.467 0.457 2.84 2 35.0 5.4 584 4 2 2 44.774 89.548 0.457 2.84 2 36.3 5.8 585 -5 -1 3 44.803 89.606 0.457 2.84 2 20.3 1.8 586 4 4 1 44.815 89.63 0.458 2.84 2 49.7 10.9 587 0 9 2 44.84 89.68 0.458 2.84 2 8.5 0.3 588 0 -2 5 44.852 89.705 0.458 2.84 2 7.1 0.2 589 -5 6 1 44.921 89.841 0.458 2.83 2 15.5 1.1 590 -5 5 0 44.927 89.854 0.458 2.83 2 9.8 0.4 591 -2 -8 1 44.928 89.856 0.458 2.83 2 41.7 7.7 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 4.27 8.54 10.34526 44.0 5.9 5.9 5.6 2 1 0 0 7.767 15.534 5.69974 223.6 29.8 29.9 5.6 3 0 0 1 7.805 15.609 5.67231 102.7 13.7 13.7 5.6 4 -1 1 0 8.12 16.239 5.45368 413.7 55.2 55.3 5.6 5 0 2 0 8.564 17.128 5.17263 64.5 8.6 8.6 5.6 6 0 1 1 8.639 17.278 5.12818 130.1 17.4 17.4 5.6 7 0 -1 1 9.172 18.344 4.83245 40.9 5.5 5.5 5.6 8 -1 0 1 9.345 18.689 4.74396 59.3 7.9 7.9 5.6 9 -1 1 1 9.391 18.783 4.72054 749.4 100.0 100.0 5.6 10 1 1 0 9.575 19.149 4.63099 138.5 18.5 18.5 5.6 11 -1 2 0 10.422 20.843 4.25823 78.1 10.4 10.4 5.6 12 -1 -1 1 11.119 22.238 3.99427 106.6 14.2 14.2 5.6 13 0 2 1 11.207 22.413 3.96345 499.0 66.6 66.4 5.6 14 -1 2 1 11.237 22.475 3.95267 14.5 1.9 1.9 5.6 15 0 -2 1 12.033 24.066 3.69482 564.8 75.4 75.1 5.6 16 1 0 1 12.527 25.054 3.55136 26.4 3.5 3.5 5.6 17 1 2 0 12.676 25.353 3.51012 135.9 18.1 18.0 5.6 18 0 3 0 12.907 25.814 3.44842 28.4 3.8 3.8 5.6 19 1 -1 1 12.941 25.882 3.43955 84.5 11.3 11.2 5.6 20 1 1 1 13.566 27.133 3.28377 369.6 49.3 49.0 5.6 21 -1 3 0 13.761 27.522 3.23822 138.4 18.5 18.3 5.6 22 -1 -2 1 14.07 28.14 3.16843 91.3 12.2 12.1 5.6 23 0 3 1 14.662 29.324 3.04321 86.0 11.5 11.4 5.6 24 1 -2 1 14.695 29.39 3.03654 155.9 20.8 20.6 5.6 25 -2 1 1 15.026 30.053 2.97101 9.9 1.3 1.3 5.6 26 -1 1 2 15.363 30.725 2.90753 9.0 1.2 1.2 5.6 27 -2 1 0 15.44 30.881 2.89323 60.0 8.0 7.9 5.6 28 -1 0 2 15.492 30.984 2.88379 12.2 1.6 1.6 5.6 29 0 -3 1 15.632 31.263 2.85869 10.7 1.4 1.4 5.6 30 2 0 0 15.681 31.363 2.84987 128.6 17.2 17.0 5.6 31 0 0 2 15.759 31.518 2.83615 14.2 1.9 1.9 5.6 32 -2 2 1 15.863 31.725 2.81812 318.0 42.4 42.0 5.6 33 0 1 2 16.052 32.105 2.78567 105.7 14.1 14.0 5.6 34 1 3 0 16.402 32.804 2.72788 370.8 49.5 48.9 5.6 35 -1 2 2 16.442 32.884 2.72144 74.1 9.9 9.8 5.6 36 0 -1 2 16.656 33.312 2.68743 31.3 4.2 4.1 5.6 37 -1 -1 2 16.806 33.611 2.66415 215.3 28.7 28.4 5.7 38 2 1 0 17.085 34.171 2.62183 13.0 1.7 1.7 5.7 39 1 -3 1 17.421 34.842 2.57286 30.6 4.1 4.0 5.7 40 0 2 2 17.482 34.965 2.56409 8.7 1.2 1.1 5.7 41 -1 4 0 17.61 35.221 2.54603 55.2 7.4 7.3 5.7 42 -1 -3 1 17.667 35.334 2.5381 13.7 1.8 1.8 5.7 43 -1 4 1 17.848 35.696 2.51318 38.5 5.1 5.1 5.7 44 -2 3 0 18.416 36.831 2.43831 36.4 4.9 4.8 5.7 45 -1 3 2 18.542 37.085 2.42222 14.3 1.9 1.9 5.7 46 0 -2 2 18.59 37.18 2.41622 276.3 36.9 36.3 5.7 47 1 3 1 18.837 37.673 2.38571 78.6 10.5 10.3 5.7 48 -2 2 2 19.048 38.095 2.36027 50.7 6.8 6.7 5.7 49 -1 -2 2 19.087 38.174 2.35558 35.4 4.7 4.6 5.7 50 2 2 0 19.43 38.861 2.3155 30.1 4.0 4.0 5.7 51 0 -4 1 19.628 39.256 2.29312 41.4 5.5 5.4 5.7 52 0 3 2 19.834 39.668 2.27025 12.6 1.7 1.7 5.7 53 1 -1 2 20.023 40.046 2.24965 23.7 3.2 3.1 5.7 54 1 1 2 20.203 40.406 2.23046 7.7 1.0 1.0 5.7 55 2 -2 1 20.423 40.846 2.20746 22.3 3.0 2.9 5.7 56 -2 4 1 20.527 41.054 2.19671 31.0 4.1 4.1 5.7 57 -2 3 2 20.589 41.177 2.19043 63.3 8.4 8.3 5.7 58 -2 4 0 21.21 42.42 2.12912 105.3 14.0 13.8 5.7 59 -1 -4 1 21.657 43.313 2.08724 10.9 1.5 1.4 5.7 60 -1 5 1 21.853 43.706 2.06938 71.7 9.6 9.4 5.7 61 -1 -3 2 22.084 44.169 2.04877 24.4 3.3 3.2 5.7 62 -3 1 1 22.329 44.657 2.02749 15.3 2.0 2.0 5.7 63 2 3 0 22.472 44.944 2.01522 33.6 4.5 4.4 5.7 64 2 2 1 22.54 45.08 2.00946 158.1 21.1 20.6 5.7 65 -2 -3 1 22.636 45.272 2.00136 8.4 1.1 1.1 5.7 66 -2 -2 2 22.687 45.373 1.99713 11.1 1.5 1.4 5.7 67 -1 1 3 22.837 45.673 1.98472 8.0 1.1 1.0 5.7 68 0 4 2 22.873 45.746 1.98172 41.7 5.6 5.4 5.7 69 -2 4 2 22.939 45.878 1.97634 76.0 10.1 9.9 5.7 70 -3 1 0 23.448 46.896 1.93576 36.4 4.9 4.7 5.7 71 -1 2 3 23.51 47.02 1.93096 10.8 1.4 1.4 5.7 72 1 -3 2 23.544 47.088 1.92833 48.8 6.5 6.4 5.7 73 -3 3 1 23.788 47.576 1.90971 44.2 5.9 5.7 5.7 74 -3 2 0 23.842 47.685 1.90558 30.2 4.0 3.9 5.7 75 0 -5 1 23.901 47.802 1.90119 17.2 2.3 2.2 5.7 76 0 0 3 24.041 48.082 1.89077 179.8 24.0 23.4 5.7 77 -3 1 2 24.137 48.274 1.88369 77.8 10.4 10.1 5.7 78 -3 -1 1 24.376 48.751 1.86636 22.9 3.1 3.0 5.7 79 1 -5 1 24.613 49.226 1.84946 14.7 2.0 1.9 5.7 80 0 -4 2 24.642 49.285 1.84741 59.2 7.9 7.7 5.7 81 2 -4 1 24.782 49.564 1.83765 35.6 4.8 4.6 5.7 82 -1 5 2 24.836 49.672 1.83389 27.2 3.6 3.5 5.7 83 -2 0 3 24.878 49.756 1.83099 126.6 16.9 16.4 5.7 84 -1 3 3 25.009 50.017 1.82205 23.7 3.2 3.1 5.7 85 -3 3 0 25.07 50.14 1.81789 50.5 6.7 6.6 5.7 86 3 1 0 25.215 50.43 1.80809 24.6 3.3 3.2 5.8 87 -3 3 2 25.307 50.613 1.80198 73.7 9.8 9.6 5.8 88 2 0 2 25.709 51.417 1.77568 74.0 9.9 9.6 5.8 89 2 -1 2 25.758 51.516 1.77251 23.9 3.2 3.1 5.8 90 -1 -5 1 25.942 51.884 1.76081 111.0 14.8 14.4 5.8 91 2 4 0 26.033 52.066 1.75506 29.1 3.9 3.8 5.8 92 -2 -4 1 26.283 52.566 1.73954 39.5 5.3 5.1 5.8 93 0 -2 3 26.327 52.653 1.73688 11.8 1.6 1.5 5.8 94 1 5 1 26.409 52.817 1.73186 49.3 6.6 6.4 5.8 95 0 6 0 26.535 53.07 1.72421 15.6 2.1 2.0 5.8 96 2 -2 2 26.609 53.218 1.71977 14.6 1.9 1.9 5.8 97 3 -1 1 27.22 54.44 1.684 31.1 4.1 4.0 5.8 98 3 0 1 27.543 55.087 1.66575 8.2 1.1 1.1 5.8 99 -2 6 1 27.663 55.327 1.65909 40.7 5.4 5.2 5.8 100 -2 4 3 27.815 55.631 1.65075 28.4 3.8 3.7 5.8 101 1 1 3 27.999 55.997 1.64081 42.4 5.7 5.5 5.8 102 -2 -2 3 28.188 56.376 1.63069 7.8 1.0 1.0 5.8 103 -3 5 1 28.344 56.687 1.62247 84.3 11.2 10.8 5.8 104 2 4 1 28.389 56.778 1.6201 62.1 8.3 8.0 5.8 105 -3 1 3 28.452 56.904 1.61681 57.2 7.6 7.3 5.8 106 -1 -3 3 28.487 56.974 1.61499 68.5 9.1 8.8 5.8 107 3 1 1 28.626 57.252 1.60779 43.4 5.8 5.6 5.8 108 3 -3 1 28.88 57.76 1.59485 9.9 1.3 1.3 5.8 109 -2 -4 2 29.093 58.185 1.58421 70.8 9.5 9.1 5.8 110 0 4 3 29.172 58.344 1.58027 8.2 1.1 1.1 5.8 111 -3 3 3 29.31 58.619 1.57351 22.2 3.0 2.8 5.8 112 -3 -3 1 29.38 58.76 1.57009 19.1 2.5 2.4 5.8 113 -2 6 2 29.445 58.89 1.56693 48.1 6.4 6.2 5.8 114 -1 -5 2 29.566 59.132 1.56109 23.2 3.1 3.0 5.8 115 -3 5 0 29.674 59.348 1.55591 9.4 1.3 1.2 5.8 116 1 -5 2 29.751 59.501 1.55228 30.3 4.0 3.9 5.8 117 3 3 0 29.933 59.867 1.54366 16.9 2.3 2.2 5.8 118 -1 5 3 30.077 60.155 1.53697 15.6 2.1 2.0 5.8 119 -2 -5 1 30.337 60.674 1.52504 7.7 1.0 1.0 5.8 120 0 6 2 30.413 60.826 1.52161 40.3 5.4 5.2 5.8 121 -4 2 1 30.511 61.021 1.5172 50.8 6.8 6.5 5.8 122 3 -4 1 30.783 61.566 1.50508 10.7 1.4 1.4 5.8 123 -1 7 0 30.847 61.693 1.50228 49.2 6.6 6.3 5.8 124 1 3 3 30.912 61.825 1.4994 12.0 1.6 1.5 5.8 125 1 -3 3 31.072 62.144 1.49245 19.1 2.5 2.4 5.8 126 -1 1 4 31.174 62.348 1.48807 31.7 4.2 4.0 5.8 127 -4 0 1 31.261 62.522 1.48433 51.7 6.9 6.6 5.8 128 0 7 0 31.413 62.826 1.47789 24.6 3.3 3.1 5.9 129 2 -6 1 31.563 63.127 1.47157 27.9 3.7 3.6 5.9 130 -2 1 4 31.79 63.579 1.46218 8.9 1.2 1.1 5.9 131 -2 7 1 31.851 63.702 1.45965 11.8 1.6 1.5 5.9 132 -2 2 4 31.995 63.991 1.45377 35.1 4.7 4.5 5.9 133 -4 2 0 32.173 64.345 1.44662 20.9 2.8 2.7 5.9 134 -1 -1 4 32.396 64.792 1.43771 15.5 2.1 2.0 5.9 135 -2 7 0 32.626 65.252 1.42869 17.6 2.3 2.2 5.9 136 4 0 0 32.723 65.445 1.42493 33.9 4.5 4.3 5.9 137 -1 7 2 32.964 65.929 1.41565 24.3 3.2 3.1 5.9 138 3 -1 2 33.022 66.045 1.41344 32.3 4.3 4.1 5.9 139 2 0 3 33.277 66.555 1.40385 33.3 4.4 4.2 5.9 140 3 -5 1 33.315 66.63 1.40244 14.9 2.0 1.9 5.9 141 0 2 4 33.575 67.15 1.39283 50.9 6.8 6.4 5.9 142 2 1 3 33.837 67.673 1.38334 9.3 1.2 1.2 5.9 143 4 1 0 34.031 68.062 1.37639 7.5 1.0 0.9 5.9 144 1 7 0 34.261 68.522 1.36827 16.2 2.2 2.0 5.9 145 -4 4 0 34.4 68.799 1.36342 49.4 6.6 6.2 5.9 146 -3 1 4 34.672 69.344 1.35404 14.7 2.0 1.9 5.9 147 -2 -6 1 34.771 69.542 1.35067 51.2 6.8 6.4 5.9 148 0 -2 4 34.977 69.954 1.34372 7.9 1.1 1.0 5.9 149 -2 -2 4 35.328 70.656 1.33208 64.1 8.6 8.1 5.9 150 -1 8 1 35.603 71.206 1.32312 8.5 1.1 1.1 5.9 151 0 6 3 35.664 71.329 1.32115 10.1 1.4 1.3 5.9 152 -4 -2 2 35.789 71.578 1.31716 27.2 3.6 3.4 5.9 153 -4 4 3 35.91 71.819 1.31333 19.0 2.5 2.4 5.9 154 4 -2 1 36.041 72.082 1.30919 31.0 4.1 3.9 5.9 155 -3 7 2 36.078 72.157 1.30802 10.9 1.5 1.4 5.9 156 -2 8 1 36.421 72.843 1.29738 28.0 3.7 3.5 6.0 157 -3 7 0 36.571 73.141 1.29282 53.9 7.2 6.7 6.0 158 1 1 4 36.774 73.547 1.28669 41.7 5.6 5.2 6.0 159 4 -3 1 36.863 73.725 1.28401 8.8 1.2 1.1 6.0 160 0 4 4 36.929 73.857 1.28204 12.2 1.6 1.5 6.0 161 0 8 1 36.981 73.962 1.28049 18.4 2.5 2.3 6.0 162 -1 5 4 37.037 74.074 1.27884 10.6 1.4 1.3 6.0 163 -2 8 0 37.235 74.47 1.27302 9.6 1.3 1.2 6.0 164 -1 7 3 37.344 74.689 1.26983 25.3 3.4 3.2 6.0 165 -4 6 2 37.652 75.304 1.26096 9.6 1.3 1.2 6.0 166 2 -4 3 37.819 75.637 1.25624 41.1 5.5 5.1 6.0 167 -3 -5 2 38.457 76.915 1.23853 11.0 1.5 1.4 6.0 168 -3 5 4 38.504 77.009 1.23725 23.6 3.2 2.9 6.0 169 -1 -7 2 38.641 77.283 1.23355 9.5 1.3 1.2 6.0 170 0 -6 3 38.714 77.427 1.23161 13.1 1.7 1.6 6.0 171 3 -5 2 38.946 77.892 1.22541 12.6 1.7 1.6 6.0 172 -4 -2 3 38.979 77.958 1.22454 16.6 2.2 2.1 6.0 173 -4 2 4 39.334 78.668 1.21526 26.1 3.5 3.2 6.0 174 3 5 1 39.418 78.837 1.21308 23.1 3.1 2.9 6.0 175 -2 6 4 39.495 78.99 1.21111 10.6 1.4 1.3 6.0 176 0 -4 4 39.612 79.225 1.20811 13.8 1.8 1.7 6.0 177 -5 1 1 39.708 79.416 1.20569 8.3 1.1 1.0 6.0 178 2 6 2 40.222 80.443 1.19286 27.4 3.7 3.4 6.0 179 3 -1 3 40.492 80.983 1.18626 18.5 2.5 2.3 6.1 180 2 7 1 40.854 81.707 1.17756 22.2 3.0 2.7 6.1 181 -2 8 3 41.317 82.634 1.16669 15.4 2.0 1.9 6.1 182 -5 1 0 41.718 83.436 1.15751 26.0 3.5 3.2 6.1 183 -1 3 5 41.817 83.633 1.15528 34.4 4.6 4.2 6.1 184 -2 -6 3 42.043 84.085 1.15021 29.6 3.9 3.6 6.1 185 -5 1 3 42.098 84.196 1.14898 21.3 2.8 2.6 6.1 186 3 -3 3 42.21 84.419 1.14652 25.8 3.4 3.1 6.1 187 -5 -1 2 42.397 84.794 1.1424 24.4 3.3 3.0 6.1 188 2 5 3 42.528 85.055 1.13956 10.8 1.4 1.3 6.1 189 -5 5 1 42.611 85.221 1.13776 25.7 3.4 3.1 6.1 190 -1 9 2 42.709 85.418 1.13564 29.1 3.9 3.5 6.1 191 0 0 5 42.764 85.528 1.13446 16.8 2.2 2.0 6.1 192 0 -5 4 42.827 85.654 1.13312 9.8 1.3 1.2 6.1 193 -3 3 5 42.942 85.884 1.13067 12.2 1.6 1.5 6.1 194 4 -6 1 43.138 86.277 1.12653 18.1 2.4 2.2 6.1 195 2 -2 4 43.22 86.44 1.12482 24.4 3.3 3.0 6.1 196 1 -9 1 43.52 87.04 1.11861 19.1 2.6 2.3 6.1 197 2 2 4 43.685 87.37 1.11523 9.6 1.3 1.2 6.2 198 2 -6 3 43.851 87.702 1.11186 11.6 1.5 1.4 6.2 199 -1 -7 3 43.954 87.909 1.10978 8.4 1.1 1.0 6.2 200 3 5 2 43.993 87.985 1.10901 13.5 1.8 1.6 6.2 201 1 5 4 44.089 88.178 1.10708 23.3 3.1 2.8 6.2 202 0 8 3 44.234 88.467 1.10421 21.8 2.9 2.6 6.2 203 1 -7 3 44.414 88.828 1.10066 25.5 3.4 3.1 6.2 204 -4 6 4 44.693 89.387 1.09522 13.3 1.8 1.6 6.2 205 -3 9 2 44.734 89.467 1.09444 11.7 1.6 1.4 6.2 206 4 2 2 44.774 89.548 1.09366 7.6 1.0 0.9 6.2 207 4 4 1 44.815 89.63 1.09288 11.2 1.5 1.4 6.2 208 -2 -8 1 44.928 89.856 1.09071 9.2 1.2 1.1 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) |