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 *** *********************** MELANTERITE 4, syn, f-hexahydrite, g-melanterite (Fe,Cu)SO(4).7H(2)O Monoclinic P 2(1)/c Z = 4 R =0.084 NR =2799 21 .9 .1904 Ref.Str.: R.C. Peterson (2001) * Canad. Mineral., 41, 937-949 Reserv: See U(eq) in the original. D.T.N. Initial data from BDM-file Lattice parameters (cub. angs.,degr.): a = 14.06 alpha = 90.0 b = 6.505 beta = 105.75 c = 10.943 gamma = 90.0 Unit cell volume (cub. angs.) = 963.27 Molar volume ( cub.cm/mol.) = 145.05 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 Fe = 1.00 2 0.5 0.0 0.5 0.0 Fe = 0.8 , Cu = 0.2 3 0.773 0.9704 0.3241 0.0 S = 1.00 4 0.7954 0.9702 0.4642 0.0 O = 1.00 5 0.8628 0.0369 0.2887 0.0 O = 1.00 6 0.6908 0.1148 0.2733 0.0 O = 1.00 7 0.7459 0.7607 0.2748 0.0 O = 1.00 8 0.887 0.8848 0.0689 0.0 H(2)O = 1.00 9 0.1026 0.9565 0.1836 0.0 H(2)O = 1.00 10 0.9696 0.2958 0.0669 0.0 H(2)O = 1.00 11 0.527 0.9585 0.3197 0.0 H(2)O = 1.00 12 0.4299 0.284 0.4417 0.0 H(2)O = 1.00 13 0.3527 0.8553 0.4399 0.0 H(2)O = 1.00 14 0.3637 0.0047 0.114 0.0 H(2)O = 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 0.0 0.5 3 3 0.773 0.9704 0.3241 4 4 0.7954 0.9702 0.4642 5 5 0.8628 0.0369 0.2887 6 6 0.6908 0.1148 0.2733 7 7 0.7459 0.7607 0.2748 8 8 0.887 0.8848 0.0689 9 9 0.1026 0.9565 0.1836 10 10 0.9696 0.2958 0.0669 11 11 0.527 0.9585 0.3197 12 12 0.4299 0.284 0.4417 13 13 0.3527 0.8553 0.4399 14 14 0.3637 0.0047 0.114 15 1 0.0 0.5 0.5 16 2 0.5 0.5 0.0 17 3 0.227 0.4704 0.1759 18 4 0.2046 0.4702 0.0358 19 5 0.1372 0.5369 0.2113 20 6 0.3092 0.6148 0.2267 21 7 0.2541 0.2607 0.2252 22 8 0.113 0.3848 0.4311 23 9 0.8974 0.4565 0.3164 24 10 0.0304 0.7958 0.4331 25 11 0.473 0.4585 0.1803 26 12 0.5701 0.784 0.0583 27 13 0.6473 0.3553 0.0601 28 14 0.6363 0.5047 0.386 29 3 0.773 0.5296 0.8241 30 4 0.7954 0.5298 0.9642 31 5 0.8628 0.4631 0.7887 32 6 0.6908 0.3852 0.7733 33 7 0.7459 0.7393 0.7748 34 8 0.887 0.6152 0.5689 35 9 0.1026 0.5435 0.6836 36 10 0.9696 0.2042 0.5669 37 11 0.527 0.5415 0.8197 38 12 0.4299 0.216 0.9417 39 13 0.3527 0.6447 0.9399 40 14 0.3637 0.4953 0.614 41 3 0.227 0.0296 0.6759 42 4 0.2046 0.0298 0.5358 43 5 0.1372 0.9631 0.7113 44 6 0.3092 0.8852 0.7267 45 7 0.2541 0.2393 0.7252 46 8 0.113 0.1152 0.9311 47 9 0.8974 0.0435 0.8164 48 10 0.0304 0.7042 0.9331 49 11 0.473 0.0415 0.6803 50 12 0.5701 0.716 0.5583 51 13 0.6473 0.1447 0.5601 52 14 0.6363 0.9953 0.886 X-ray density (g/cm cub.) = 1.92 MU (1/cm) = 75.248 Mass attenuation coefficient (cm**2/g) = 39.158 Selected interatomic distances (cation-anion,anion-anion): NoP Atom Rad.sph. C.N. Distance NoP N. (angs.) (angs.) 1 Fe 2.76 6 2.0747 8 2.1504 9 2.1427 10 2.0747 8 2.1504 9 2.1427 10 2 Fe ,Cu 2.976 6 2.1252 11 2.1095 12 2.2064 13 2.1252 11 2.1095 12 2.2064 13 3 S 2.148 4 1.479 4 1.4822 5 1.4759 6 1.4783 7 4 O 3.432 6 2.4005 5 2.3966 6 2.4195 7 2.7392 8 2.8433 10 2.8128 13 5 O 3.432 7 2.4005 4 2.4315 6 2.4118 7 2.7063 8 2.7746 9 2.9134 10 3.1977 10 6 O 3.432 8 2.3966 4 2.4315 5 2.4288 7 2.6889 11 3.2982 12 2.7368 13 3.009 14 3.3621 13 7 O 3.432 7 2.4195 4 2.4118 5 2.4288 6 2.852 9 2.9268 12 2.7652 14 3.4239 8 8 H(2)O 3.6 8 2.7063 5 3.4772 7 2.986 9 2.9173 10 2.7392 4 3.4239 7 2.9902 9 3.0463 10 9 H(2)O 3.6 8 2.986 8 2.95 10 2.7746 5 3.5857 6 2.852 7 3.329 10 2.9902 8 3.1189 10 10 H(2)O 3.6 10 2.9173 8 2.95 9 3.5959 4 2.9134 5 3.329 9 2.8433 4 3.1977 5 3.0463 8 3.1189 9 3.2576 10 11 H(2)O 3.6 11 2.6889 6 3.4915 7 3.0198 12 3.1522 13 2.761 14 3.5852 11 3.5852 11 3.2832 12 3.3161 14 2.9688 12 2.972 13 12 H(2)O 3.6 10 3.0198 11 2.9906 13 3.2982 6 2.9268 7 3.2832 11 3.4372 14 2.6951 14 2.9688 11 3.4706 12 3.1133 13 13 H(2)O 3.6 9 3.1522 11 2.9906 12 2.7368 6 3.5536 7 2.9963 14 2.8128 4 3.3621 6 2.972 11 3.1133 12 14 H(2)O 3.6 7 2.761 11 3.009 6 2.7652 7 3.3161 11 3.4372 12 2.6951 12 2.9963 13 X-ray diffraction powder data (II), X-Ray W.L. = 1.78892(angs.): No H K L Theta 2*Theta S LPG MF F I int. ( degree ) *100 1 1 0 0 3.79 7.58 0.037 454.77 2 5.8 3.3 2 2 0 0 7.597 15.193 0.074 111.49 2 36.2 31.5 3 1 1 0 8.776 17.551 0.085 82.99 4 20.4 14.9 4 0 1 1 9.301 18.601 0.09 73.64 4 42.7 57.8 5 1 0 -2 9.479 18.959 0.092 70.81 2 77.2 91.1 6 1 1 -1 9.535 19.07 0.093 69.96 4 26.7 21.4 7 0 0 2 9.779 19.559 0.095 66.4 2 54.6 42.7 8 1 1 1 10.552 21.104 0.102 56.73 4 173.4 735.4 9 2 0 -2 10.647 21.294 0.103 55.68 2 178.8 383.8 10 2 1 0 10.996 21.992 0.107 52.07 4 8.6 1.6 11 2 1 -1 11.166 22.332 0.108 50.44 4 13.9 4.2 12 1 0 2 11.436 22.873 0.111 47.98 2 81.8 69.2 13 3 0 0 11.437 22.875 0.111 47.97 2 25.5 6.7 14 1 1 -2 12.389 24.778 0.12 40.58 4 12.0 2.5 15 0 1 2 12.623 25.246 0.122 39.01 4 13.9 3.3 16 2 1 1 12.88 25.761 0.125 37.39 4 66.8 71.9 17 3 0 -2 12.906 25.812 0.125 37.23 2 28.6 6.5 18 2 1 -2 13.315 26.631 0.129 34.85 4 16.3 4.0 19 3 1 -1 13.726 27.451 0.133 32.68 4 173.2 422.7 20 1 1 2 13.963 27.926 0.135 31.52 4 2.7 0.1 21 3 1 0 13.964 27.927 0.135 31.51 4 18.2 4.5 22 2 0 2 13.999 27.998 0.135 31.34 2 138.9 130.3 23 3 1 -2 15.206 30.412 0.147 26.27 4 6.5 0.5 24 4 0 0 15.331 30.662 0.148 25.81 2 86.1 41.3 25 4 0 -2 15.826 31.652 0.152 24.1 2 9.9 0.5 26 3 1 1 15.849 31.698 0.153 24.03 4 56.2 32.7 27 0 2 0 15.962 31.925 0.154 23.66 2 181.5 168.0 28 2 1 2 16.156 32.312 0.156 23.05 4 2.3 0.1 29 1 1 -3 16.329 32.658 0.157 22.53 4 104.0 105.0 30 1 2 0 16.43 32.859 0.158 22.23 4 10.7 1.1 31 0 2 1 16.728 33.455 0.161 21.38 4 36.8 12.5 32 2 1 -3 16.745 33.491 0.161 21.33 4 75.4 52.3 33 0 1 3 16.829 33.658 0.162 21.1 4 36.7 12.3 34 4 1 -1 16.831 33.661 0.162 21.1 4 17.5 2.8 35 1 2 -1 16.864 33.729 0.162 21.0 4 32.8 9.7 36 3 0 2 17.1 34.199 0.164 20.38 2 84.8 31.6 37 4 1 0 17.338 34.677 0.167 19.77 4 74.2 46.9 38 1 2 1 17.483 34.967 0.168 19.42 4 16.0 2.1 39 2 2 0 17.766 35.532 0.171 18.75 4 34.2 9.5 40 4 1 -2 17.784 35.567 0.171 18.71 4 56.8 26.1 41 2 2 -1 17.876 35.752 0.172 18.5 4 6.6 0.3 42 3 1 -3 18.022 36.043 0.173 18.17 4 39.5 12.2 43 1 1 3 18.179 36.357 0.174 17.83 4 32.0 7.9 44 1 2 -2 18.696 37.393 0.179 16.76 4 79.0 45.1 45 0 2 2 18.858 37.717 0.181 16.44 4 24.3 4.2 46 3 1 2 18.941 37.882 0.181 16.29 4 63.8 28.6 47 2 2 1 19.039 38.078 0.182 16.1 4 31.8 7.0 48 1 0 -4 19.147 38.294 0.183 15.9 2 118.7 48.3 49 5 0 -2 19.149 38.298 0.183 15.9 2 79.0 21.4 50 4 1 1 19.206 38.411 0.184 15.79 4 113.9 88.4 51 2 0 -4 19.232 38.463 0.184 15.75 2 21.4 1.6 52 5 0 0 19.299 38.598 0.185 15.63 2 4.4 0.1 53 2 2 -2 19.348 38.696 0.185 15.54 4 36.7 9.0 54 3 2 -1 19.645 39.289 0.188 15.02 4 19.3 2.4 55 1 2 2 19.818 39.636 0.19 14.73 4 89.5 50.9 56 3 2 0 19.819 39.637 0.19 14.73 4 76.1 36.7 57 0 0 4 19.859 39.718 0.19 14.66 2 105.0 34.8 58 4 1 -3 20.016 40.032 0.191 14.41 4 87.9 48.0 59 3 0 -4 20.104 40.209 0.192 14.27 2 68.0 14.2 60 2 1 3 20.231 40.462 0.193 14.07 4 30.7 5.7 61 5 1 -1 20.278 40.555 0.194 14.0 4 2.0 0.0 62 4 0 2 20.543 41.086 0.196 13.6 2 73.5 15.8 63 3 2 -2 20.749 41.499 0.198 13.3 4 43.6 10.9 64 1 1 -4 20.833 41.667 0.199 13.18 4 26.0 3.8 65 5 1 -2 20.835 41.67 0.199 13.18 4 49.6 14.0 66 2 1 -4 20.912 41.824 0.2 13.07 4 1.7 0.0 67 5 1 0 20.975 41.95 0.2 12.98 4 54.1 16.4 68 3 2 1 21.245 42.491 0.203 12.61 4 70.5 27.1 69 1 0 4 21.301 42.601 0.203 12.54 2 130.8 46.3 70 2 2 2 21.485 42.97 0.205 12.3 4 38.8 8.0 71 0 1 4 21.499 42.997 0.205 12.28 4 2.1 0.0 72 1 2 -3 21.621 43.242 0.206 12.13 4 26.0 3.5 73 4 0 -4 21.686 43.372 0.207 12.05 2 94.3 23.1 74 3 1 -4 21.729 43.458 0.207 11.99 4 65.9 22.4 75 2 2 -3 21.951 43.901 0.209 11.72 4 0.8 0.0 76 0 2 3 22.017 44.035 0.21 11.64 4 78.6 31.0 77 4 2 -1 22.019 44.037 0.21 11.64 4 39.6 7.9 78 4 1 2 22.141 44.282 0.211 11.5 4 20.4 2.1 79 4 2 0 22.426 44.852 0.213 11.17 4 53.9 14.0 80 5 1 -3 22.572 45.144 0.215 11.01 4 46.7 10.3 81 6 0 -2 22.752 45.503 0.216 10.81 2 113.3 29.9 82 4 2 -2 22.787 45.574 0.217 10.77 4 71.8 23.9 83 3 1 3 22.832 45.664 0.217 10.73 4 40.5 7.6 84 5 1 1 22.833 45.667 0.217 10.72 4 77.6 27.8 85 1 1 4 22.856 45.712 0.217 10.7 4 30.9 4.4 86 3 2 -3 22.981 45.963 0.218 10.57 4 42.7 8.3 87 1 2 3 23.11 46.22 0.219 10.44 4 10.7 0.5 88 4 1 -4 23.221 46.442 0.22 10.32 4 1.0 0.0 89 2 0 4 23.363 46.726 0.222 10.18 2 67.6 10.0 90 6 0 0 23.365 46.731 0.222 10.18 2 57.2 7.2 91 3 2 2 23.741 47.481 0.225 9.82 4 12.1 0.6 92 5 0 -4 23.864 47.728 0.226 9.7 2 65.6 9.0 93 4 2 1 23.962 47.923 0.227 9.61 4 18.4 1.4 94 6 1 -1 23.976 47.952 0.227 9.6 4 3.8 0.1 95 6 1 -2 24.233 48.467 0.229 9.37 4 68.2 18.8 96 5 0 2 24.239 48.479 0.229 9.37 2 47.0 4.5 97 4 2 -3 24.644 49.289 0.233 9.02 4 39.0 5.9 98 1 3 0 24.694 49.388 0.234 8.98 4 18.6 1.3 99 2 1 4 24.817 49.634 0.235 8.88 4 10.0 0.4 100 6 1 0 24.819 49.638 0.235 8.88 4 28.9 3.2 101 2 2 3 24.827 49.655 0.235 8.87 4 7.6 0.2 102 5 2 -1 24.867 49.734 0.235 8.84 4 10.0 0.4 103 0 3 1 24.908 49.816 0.235 8.8 4 11.8 0.5 104 1 3 -1 25.007 50.014 0.236 8.72 4 56.1 11.8 105 5 1 -4 25.296 50.593 0.239 8.5 4 23.1 2.0 106 1 2 -4 25.343 50.685 0.239 8.46 4 4.5 0.1 107 5 2 -2 25.344 50.688 0.239 8.46 4 27.5 2.8 108 2 2 -4 25.41 50.821 0.24 8.41 4 43.2 6.8 109 1 3 1 25.46 50.919 0.24 8.38 4 91.0 29.9 110 5 2 0 25.464 50.929 0.24 8.37 4 8.8 0.3 111 2 1 -5 25.565 51.13 0.241 8.3 4 12.1 0.5 112 6 1 -3 25.567 51.134 0.241 8.3 4 1.4 0.0 113 5 1 2 25.656 51.312 0.242 8.23 4 0.9 0.0 114 2 3 0 25.669 51.339 0.242 8.22 4 31.8 3.6 115 1 1 -5 25.721 51.443 0.243 8.18 4 81.8 23.6 116 2 3 -1 25.751 51.502 0.243 8.16 4 5.8 0.1 117 4 1 3 25.863 51.727 0.244 8.08 4 28.1 2.7 118 0 2 4 25.917 51.834 0.244 8.04 4 49.0 8.3 119 3 0 4 25.936 51.872 0.244 8.03 2 33.2 1.9 120 3 1 -5 26.048 52.096 0.245 7.95 4 77.8 20.8 121 3 2 -4 26.117 52.234 0.246 7.9 4 14.8 0.7 122 1 3 -2 26.37 52.741 0.248 7.73 4 89.4 26.6 123 4 2 2 26.476 52.953 0.249 7.66 4 115.0 43.7 124 0 3 2 26.494 52.989 0.249 7.65 4 1.1 0.0 125 0 1 5 26.509 53.018 0.25 7.64 4 86.1 24.4 126 6 0 -4 26.533 53.065 0.25 7.62 2 115.5 21.9 127 7 0 -2 26.584 53.169 0.25 7.59 2 41.3 2.8 128 2 3 1 26.633 53.266 0.251 7.56 4 41.3 5.6 129 6 1 1 26.686 53.372 0.251 7.52 4 42.2 5.8 130 5 2 -3 26.854 53.709 0.253 7.42 4 3.7 0.0 131 2 3 -2 26.872 53.744 0.253 7.41 4 48.3 7.5 132 3 2 3 27.084 54.167 0.255 7.28 4 7.1 0.2 133 5 2 1 27.085 54.17 0.255 7.27 4 35.7 4.0 134 3 3 -1 27.103 54.205 0.255 7.26 4 174.3 95.2 135 1 2 4 27.105 54.21 0.255 7.26 4 40.3 5.1 136 4 1 -5 27.146 54.292 0.255 7.24 4 28.6 2.5 137 1 3 2 27.238 54.476 0.256 7.18 4 8.5 0.2 138 3 3 0 27.239 54.477 0.256 7.18 4 9.5 0.3 139 3 1 4 27.289 54.578 0.256 7.15 4 34.9 3.7 140 4 2 -4 27.427 54.855 0.257 7.07 4 74.7 17.0 141 7 0 0 27.561 55.122 0.259 6.99 2 40.6 2.5 142 6 1 -4 27.865 55.73 0.261 6.82 4 43.9 5.7 143 1 1 5 27.891 55.782 0.261 6.81 4 108.0 34.2 144 7 1 -1 27.894 55.788 0.262 6.8 4 87.9 22.7 145 7 1 -2 27.915 55.83 0.262 6.79 4 34.7 3.5 146 3 3 -2 27.976 55.951 0.262 6.76 4 4.5 0.1 147 6 2 -1 28.099 56.199 0.263 6.69 4 34.0 3.3 148 6 0 2 28.159 56.318 0.264 6.66 2 80.5 9.3 149 6 2 -2 28.33 56.66 0.265 6.57 4 102.0 29.4 150 3 3 1 28.374 56.748 0.266 6.55 4 115.7 37.8 151 2 3 2 28.568 57.137 0.267 6.45 4 29.5 2.4 152 1 3 -3 28.679 57.358 0.268 6.39 4 67.6 12.6 153 5 1 -5 28.812 57.624 0.269 6.32 4 93.1 23.6 154 2 2 4 28.854 57.708 0.27 6.3 4 129.1 45.3 155 6 2 0 28.856 57.712 0.27 6.3 4 86.9 20.5 156 7 1 0 28.861 57.723 0.27 6.3 4 50.5 6.9 157 7 1 -3 28.923 57.847 0.27 6.27 4 104.6 29.5 158 4 0 4 28.934 57.868 0.27 6.26 2 96.5 12.6 159 2 3 -3 28.948 57.896 0.271 6.26 4 6.2 0.1 160 0 3 3 29.003 58.005 0.271 6.23 4 15.3 0.6 161 4 3 -1 29.004 58.007 0.271 6.23 4 8.6 0.2 162 5 1 3 29.251 58.501 0.273 6.11 4 95.6 24.1 163 5 2 -4 29.287 58.575 0.273 6.09 4 0.3 0.0 164 4 3 0 29.339 58.677 0.274 6.07 4 24.5 1.6 165 2 0 -6 29.371 58.743 0.274 6.05 2 110.1 15.8 166 6 1 2 29.442 58.884 0.275 6.02 4 20.0 1.0 167 2 2 -5 29.531 59.062 0.276 5.98 4 2.0 0.0 168 6 2 -3 29.533 59.066 0.276 5.98 4 23.3 1.4 169 3 0 -6 29.609 59.219 0.276 5.95 2 126.6 20.5 170 7 0 -4 29.612 59.224 0.276 5.94 2 59.3 4.5 171 5 2 2 29.614 59.227 0.276 5.94 4 10.2 0.3 172 4 3 -2 29.637 59.275 0.276 5.93 4 9.7 0.2 173 1 2 -5 29.673 59.346 0.277 5.92 4 9.5 0.2 174 1 0 -6 29.717 59.434 0.277 5.9 2 38.4 1.9 175 3 3 -3 29.799 59.599 0.278 5.86 4 78.6 15.6 176 4 2 3 29.802 59.604 0.278 5.86 4 23.6 1.4 177 2 1 5 29.813 59.625 0.278 5.86 4 52.9 7.1 178 1 3 3 29.907 59.813 0.279 5.81 4 70.0 12.3 179 3 2 -5 29.97 59.941 0.279 5.79 4 5.3 0.1 180 4 1 4 30.196 60.393 0.281 5.69 4 19.3 0.9 181 0 2 5 30.392 60.783 0.283 5.61 4 18.8 0.9 182 4 0 -6 30.423 60.845 0.283 5.6 2 95.2 10.9 183 3 3 2 30.436 60.872 0.283 5.59 4 19.4 0.9 184 6 2 1 30.554 61.107 0.284 5.54 4 18.0 0.8 185 2 1 -6 30.622 61.245 0.285 5.52 4 2.1 0.0 186 4 3 1 30.623 61.246 0.285 5.51 4 69.1 11.4 187 0 0 6 30.635 61.269 0.285 5.51 2 59.0 4.1 188 8 0 -2 30.638 61.277 0.285 5.51 2 20.9 0.5 189 7 1 1 30.758 61.515 0.286 5.46 4 113.1 30.1 190 3 1 -6 30.855 61.709 0.287 5.42 4 24.3 1.4 191 7 1 -4 30.857 61.714 0.287 5.42 4 3.6 0.0 192 1 1 -6 30.96 61.919 0.288 5.38 4 7.1 0.1 193 4 2 -5 30.976 61.952 0.288 5.38 4 15.3 0.5 194 6 1 -5 30.988 61.976 0.288 5.37 4 14.7 0.5 195 3 2 4 31.107 62.215 0.289 5.33 4 31.7 2.3 196 4 3 -3 31.204 62.408 0.29 5.29 4 7.8 0.1 197 2 3 3 31.361 62.721 0.291 5.23 4 16.5 0.6 198 5 3 -1 31.395 62.789 0.291 5.22 4 36.3 3.0 199 6 2 -4 31.639 63.279 0.293 5.13 4 124.6 34.3 200 4 1 -6 31.649 63.298 0.293 5.13 4 12.4 0.3 201 1 2 5 31.663 63.327 0.293 5.12 4 23.0 1.2 202 7 2 -1 31.666 63.333 0.293 5.12 4 31.4 2.2 203 7 2 -2 31.686 63.372 0.294 5.12 4 15.8 0.6 204 5 0 -6 31.785 63.571 0.294 5.08 2 31.5 1.1 205 1 3 -4 31.804 63.608 0.295 5.07 4 18.0 0.7 206 5 3 -2 31.805 63.611 0.295 5.07 4 46.5 4.7 207 0 1 6 31.856 63.712 0.295 5.06 4 5.9 0.1 208 8 1 -2 31.86 63.72 0.295 5.05 4 14.8 0.5 209 2 3 -4 31.863 63.725 0.295 5.05 4 23.5 1.2 210 5 3 0 31.909 63.818 0.295 5.04 4 21.0 1.0 211 8 0 0 31.924 63.848 0.296 5.03 2 118.1 15.1 212 8 1 -1 32.035 64.07 0.297 4.99 4 30.6 2.0 213 1 0 6 32.095 64.19 0.297 4.97 2 39.6 1.7 214 3 1 5 32.219 64.438 0.298 4.93 4 117.5 29.4 215 0 3 4 32.302 64.604 0.299 4.9 4 10.8 0.2 216 5 0 4 32.303 64.606 0.299 4.9 2 18.9 0.4 217 7 0 2 32.304 64.609 0.299 4.9 2 9.8 0.1 218 3 3 -4 32.476 64.953 0.3 4.85 4 1.9 0.0 219 5 2 -5 32.518 65.037 0.3 4.83 4 2.2 0.0 220 7 2 0 32.565 65.129 0.301 4.82 4 69.7 10.1 221 8 1 -3 32.602 65.203 0.301 4.81 4 18.1 0.7 222 7 2 -3 32.622 65.245 0.301 4.8 4 4.1 0.0 223 4 3 2 32.791 65.581 0.303 4.75 4 59.4 7.2 224 5 2 3 32.928 65.856 0.304 4.71 4 32.9 2.2 225 6 1 3 32.958 65.916 0.304 4.7 4 20.2 0.8 226 5 1 -6 32.983 65.966 0.304 4.69 4 22.2 1.0 227 8 0 -4 33.055 66.109 0.305 4.67 2 87.4 7.7 228 6 2 2 33.107 66.214 0.305 4.65 4 40.7 3.3 229 8 1 0 33.119 66.238 0.305 4.65 4 13.5 0.4 230 5 3 -3 33.123 66.246 0.305 4.65 4 71.7 10.3 231 1 1 6 33.287 66.573 0.307 4.6 4 9.1 0.2 232 3 3 3 33.325 66.65 0.307 4.59 4 29.6 1.7 233 5 3 1 33.326 66.652 0.307 4.59 4 84.6 14.2 234 1 3 4 33.344 66.687 0.307 4.58 4 44.4 3.9 235 0 4 0 33.368 66.736 0.307 4.58 2 134.7 17.9 236 2 2 5 33.454 66.908 0.308 4.55 4 27.9 1.5 237 5 1 4 33.491 66.981 0.308 4.54 4 21.2 0.9 238 7 1 2 33.492 66.984 0.308 4.54 4 24.2 1.1 239 7 1 -5 33.625 67.25 0.31 4.5 4 96.8 18.2 240 4 3 -4 33.629 67.258 0.31 4.5 4 21.2 0.9 241 1 4 0 33.64 67.28 0.31 4.5 4 2.8 0.0 242 6 0 -6 33.661 67.323 0.31 4.49 2 15.5 0.2 243 4 2 4 33.814 67.628 0.311 4.45 4 50.2 4.8 244 0 4 1 33.816 67.633 0.311 4.45 4 16.2 0.5 245 1 4 -1 33.898 67.796 0.312 4.43 4 33.8 2.2 246 2 0 6 34.062 68.124 0.313 4.38 2 1.5 0.0 247 2 2 -6 34.215 68.431 0.314 4.34 4 90.5 15.3 248 6 3 -1 34.227 68.454 0.314 4.34 4 6.4 0.1 249 8 1 -4 34.229 68.458 0.314 4.34 4 8.2 0.1 250 1 4 1 34.274 68.549 0.315 4.33 4 28.0 1.5 251 7 2 1 34.343 68.686 0.315 4.31 4 28.7 1.5 252 6 3 -2 34.433 68.867 0.316 4.28 4 19.2 0.7 253 3 2 -6 34.434 68.869 0.316 4.28 4 8.4 0.1 254 7 2 -4 34.437 68.873 0.316 4.28 4 47.8 4.2 255 2 4 0 34.449 68.899 0.316 4.28 4 48.8 4.4 256 2 4 -1 34.518 69.036 0.317 4.26 4 2.9 0.0 257 1 2 -6 34.534 69.067 0.317 4.26 4 30.5 1.7 258 6 2 -5 34.561 69.121 0.317 4.25 4 12.2 0.3 259 6 1 -6 34.826 69.652 0.319 4.19 4 21.9 0.9 260 2 3 4 34.904 69.809 0.32 4.17 4 10.0 0.2 261 6 3 0 34.906 69.812 0.32 4.17 4 42.3 3.2 262 9 0 -2 34.933 69.866 0.32 4.16 2 12.6 0.1 263 1 4 -2 35.04 70.079 0.321 4.14 4 39.1 2.7 264 4 1 5 35.066 70.132 0.321 4.13 4 4.6 0.0 265 8 1 1 35.069 70.138 0.321 4.13 4 4.6 0.0 266 0 4 2 35.145 70.289 0.322 4.11 4 38.3 2.6 267 4 2 -6 35.186 70.372 0.322 4.1 4 84.4 12.6 268 2 1 6 35.22 70.44 0.322 4.09 4 22.7 0.9 269 2 4 1 35.262 70.525 0.323 4.08 4 8.2 0.1 270 5 3 -4 35.295 70.591 0.323 4.08 4 1.4 0.0 271 0 2 6 35.383 70.765 0.324 4.06 4 141.3 34.9 272 8 2 -2 35.386 70.773 0.324 4.05 4 20.9 0.8 273 2 4 -2 35.466 70.932 0.324 4.04 4 90.3 14.2 274 2 3 -5 35.516 71.032 0.325 4.03 4 12.0 0.3 275 6 3 -3 35.518 71.036 0.325 4.02 4 23.9 1.0 276 8 2 -1 35.553 71.105 0.325 4.02 4 30.4 1.6 277 5 3 2 35.591 71.182 0.325 4.01 4 20.8 0.7 278 1 3 -5 35.645 71.29 0.326 4.0 4 78.6 10.6 279 3 4 -1 35.663 71.326 0.326 3.99 4 33.8 2.0 280 3 2 5 35.728 71.455 0.326 3.98 4 20.4 0.7 281 4 3 3 35.762 71.525 0.327 3.97 4 58.7 5.9 282 1 4 2 35.779 71.558 0.327 3.97 4 70.6 8.5 283 3 4 0 35.78 71.559 0.327 3.97 4 39.5 2.7 284 3 3 -5 35.915 71.831 0.328 3.94 4 56.1 5.3 285 7 0 -6 36.015 72.03 0.329 3.92 2 55.8 2.6 286 6 0 4 36.02 72.04 0.329 3.92 2 38.3 1.2 287 9 1 -2 36.079 72.157 0.329 3.9 4 40.0 2.7 288 8 2 -3 36.092 72.184 0.329 3.9 4 32.5 1.8 289 2 1 -7 36.099 72.198 0.329 3.9 4 5.9 0.1 290 3 1 -7 36.13 72.259 0.33 3.89 4 119.1 23.8 291 0 3 5 36.3 72.6 0.331 3.86 4 48.3 3.9 292 3 4 -2 36.415 72.831 0.332 3.83 4 16.7 0.5 293 9 1 -1 36.426 72.853 0.332 3.83 4 41.3 2.8 294 6 2 3 36.432 72.864 0.332 3.83 4 12.3 0.3 295 6 3 1 36.448 72.896 0.332 3.83 4 47.7 3.8 296 5 2 -6 36.456 72.912 0.332 3.83 4 27.7 1.3 297 3 0 6 36.501 73.002 0.333 3.82 2 5.3 0.0 298 9 0 0 36.505 73.01 0.333 3.82 2 79.1 5.1 299 8 2 0 36.586 73.172 0.333 3.8 4 96.3 15.2 300 1 1 -7 36.592 73.185 0.333 3.8 4 12.3 0.2 301 9 1 -3 36.597 73.194 0.333 3.8 4 124.9 25.5 302 4 1 -7 36.685 73.369 0.334 3.78 4 42.9 3.0 303 8 1 -5 36.687 73.374 0.334 3.78 4 38.2 2.4 304 8 0 2 36.705 73.409 0.334 3.78 2 88.5 6.4 305 1 2 6 36.747 73.493 0.334 3.77 4 23.0 0.9 306 3 4 1 36.762 73.524 0.335 3.77 4 19.8 0.6 307 4 3 -5 36.836 73.672 0.335 3.75 4 37.6 2.3 308 9 0 -4 36.845 73.69 0.335 3.75 2 59.0 2.8 309 2 4 2 36.931 73.863 0.336 3.73 4 70.5 8.0 310 5 2 4 36.942 73.884 0.336 3.73 4 9.1 0.1 311 7 2 2 36.943 73.886 0.336 3.73 4 12.6 0.3 312 3 3 4 36.957 73.914 0.336 3.73 4 19.8 0.6 313 7 1 3 36.983 73.967 0.336 3.72 4 51.8 4.3 314 1 4 -3 37.028 74.056 0.337 3.71 4 19.2 0.6 315 7 2 -5 37.071 74.141 0.337 3.71 4 10.8 0.2 316 7 1 -6 37.147 74.294 0.338 3.69 4 65.2 6.8 317 6 1 4 37.152 74.304 0.338 3.69 4 51.0 4.1 318 2 4 -3 37.264 74.528 0.338 3.67 4 17.6 0.5 319 0 4 3 37.312 74.625 0.339 3.66 4 16.2 0.4 320 4 4 -1 37.313 74.626 0.339 3.66 4 36.6 2.1 321 6 3 -4 37.448 74.896 0.34 3.64 4 22.1 0.8 322 1 3 5 37.47 74.94 0.34 3.63 4 70.0 7.7 323 7 3 -1 37.473 74.945 0.34 3.63 4 46.1 3.3 324 7 3 -2 37.491 74.982 0.34 3.63 4 12.1 0.2 325 0 1 7 37.603 75.205 0.341 3.61 4 18.3 0.5 326 4 4 0 37.609 75.217 0.341 3.61 4 107.0 17.8 327 3 1 6 37.627 75.254 0.341 3.61 4 6.0 0.1 328 9 1 0 37.631 75.262 0.341 3.61 4 7.7 0.1 329 8 2 -4 37.651 75.301 0.341 3.6 4 87.6 11.9 330 5 1 -7 37.755 75.509 0.342 3.59 4 33.2 1.7 331 8 1 2 37.829 75.657 0.343 3.57 4 13.8 0.3 332 4 4 -2 37.873 75.746 0.343 3.57 4 61.2 5.8 333 9 1 -4 37.968 75.936 0.344 3.55 4 27.0 1.1 334 3 4 -3 38.017 76.033 0.344 3.54 4 27.2 1.1 335 1 4 3 38.112 76.224 0.345 3.53 4 1.3 0.0 336 6 2 -6 38.225 76.45 0.346 3.51 4 23.8 0.9 337 5 3 -5 38.264 76.528 0.346 3.5 4 65.0 6.4 338 7 3 0 38.307 76.615 0.347 3.49 4 14.3 0.3 339 5 1 5 38.33 76.66 0.347 3.49 4 21.7 0.7 340 7 3 -3 38.361 76.722 0.347 3.49 4 21.6 0.7 341 4 2 5 38.457 76.914 0.348 3.47 4 29.7 1.3 342 8 2 1 38.46 76.92 0.348 3.47 4 17.4 0.5 343 3 4 2 38.585 77.17 0.349 3.45 4 21.7 0.7 344 2 2 6 38.606 77.212 0.349 3.45 4 21.6 0.7 345 5 3 3 38.646 77.293 0.349 3.44 4 82.4 10.1 346 4 4 1 38.753 77.505 0.35 3.43 4 8.0 0.1 347 6 3 2 38.814 77.628 0.35 3.42 4 19.3 0.5 348 8 0 -6 38.821 77.642 0.35 3.42 2 55.0 2.2 349 1 1 7 39.116 78.232 0.353 3.37 4 99.4 14.4 350 2 3 5 39.14 78.279 0.353 3.37 4 11.8 0.2 351 4 4 -3 39.276 78.552 0.354 3.35 4 13.3 0.3 352 6 1 -7 39.326 78.652 0.354 3.34 4 16.4 0.4 353 4 0 6 39.389 78.778 0.355 3.33 2 117.0 9.8 354 2 4 3 39.418 78.836 0.355 3.33 4 36.7 1.9 355 9 2 -2 39.437 78.874 0.355 3.33 4 4.7 0.0 356 5 4 -1 39.449 78.897 0.355 3.33 4 29.7 1.3 357 2 2 -7 39.457 78.913 0.355 3.33 4 8.6 0.1 358 4 3 4 39.479 78.957 0.355 3.32 4 38.4 2.1 359 3 2 -7 39.487 78.973 0.355 3.32 4 24.9 0.9 360 10 0 -2 39.512 79.025 0.356 3.32 2 58.4 2.4 361 9 1 1 39.666 79.332 0.357 3.3 4 65.5 6.1 362 9 2 -1 39.775 79.55 0.358 3.28 4 37.6 2.0 363 1 4 -4 39.821 79.641 0.358 3.28 4 4.2 0.0 364 5 4 -2 39.822 79.644 0.358 3.28 4 2.0 0.0 365 2 3 -6 39.857 79.714 0.358 3.27 4 37.7 2.0 366 2 4 -4 39.874 79.748 0.358 3.27 4 47.0 3.1 367 5 4 0 39.917 79.833 0.359 3.27 4 45.5 2.9 368 8 1 -6 39.926 79.851 0.359 3.26 4 23.9 0.8 369 1 2 -7 39.936 79.872 0.359 3.26 4 40.8 2.3 370 9 2 -3 39.941 79.881 0.359 3.26 4 39.4 2.2 371 7 3 1 39.978 79.956 0.359 3.26 4 62.3 5.5 372 4 2 -7 40.026 80.051 0.36 3.25 4 13.7 0.3 373 8 2 -5 40.028 80.057 0.36 3.25 4 40.1 2.2 374 3 3 -6 40.064 80.129 0.36 3.25 4 23.2 0.8 375 7 3 -4 40.067 80.133 0.36 3.25 4 15.7 0.3 376 7 0 4 40.095 80.191 0.36 3.24 2 4.8 0.0 377 1 3 -6 40.158 80.317 0.36 3.24 4 55.0 4.2 378 9 1 -5 40.163 80.326 0.361 3.23 4 75.5 8.0 379 6 3 -5 40.184 80.368 0.361 3.23 4 46.3 3.0 380 0 4 4 40.276 80.551 0.361 3.22 4 52.6 3.8 381 7 2 3 40.317 80.633 0.362 3.22 4 22.2 0.7 382 3 4 -4 40.435 80.871 0.363 3.2 4 15.5 0.3 383 7 2 -6 40.476 80.952 0.363 3.2 4 5.0 0.0 384 6 2 4 40.481 80.962 0.363 3.2 4 55.0 4.2 385 4 1 6 40.49 80.979 0.363 3.2 4 38.0 2.0 386 10 1 -2 40.612 81.224 0.364 3.18 4 36.2 1.8 387 4 4 2 40.724 81.448 0.365 3.17 4 69.9 6.7 388 4 3 -6 40.778 81.556 0.365 3.16 4 35.2 1.7 389 3 0 -8 40.848 81.696 0.366 3.15 2 21.4 0.3 390 0 2 7 40.921 81.841 0.366 3.15 4 48.1 3.1 391 10 1 -3 40.936 81.872 0.366 3.15 4 27.4 1.0 392 3 2 6 40.945 81.889 0.366 3.14 4 38.4 2.0 393 9 2 0 40.949 81.897 0.366 3.14 4 39.2 2.1 394 0 3 6 40.965 81.931 0.366 3.14 4 14.8 0.3 395 8 3 -2 40.969 81.938 0.367 3.14 4 28.6 1.1 396 2 0 -8 40.995 81.989 0.367 3.14 2 73.2 3.6 397 10 0 -4 41.0 81.999 0.367 3.14 2 7.1 0.0 398 5 4 -3 41.031 82.061 0.367 3.13 4 10.9 0.2 399 5 2 -7 41.069 82.138 0.367 3.13 4 13.6 0.3 400 2 1 7 41.119 82.237 0.368 3.13 4 13.9 0.3 401 10 1 -1 41.124 82.247 0.368 3.12 4 38.3 2.0 402 8 3 -1 41.128 82.255 0.368 3.12 4 28.6 1.1 403 8 2 2 41.142 82.283 0.368 3.12 4 93.9 11.9 404 7 1 4 41.191 82.383 0.368 3.12 4 28.1 1.1 405 4 0 -8 41.207 82.413 0.368 3.12 2 23.7 0.4 406 3 4 3 41.218 82.435 0.368 3.11 4 10.0 0.1 407 5 4 1 41.219 82.437 0.368 3.11 4 25.2 0.9 408 1 4 4 41.235 82.47 0.368 3.11 4 24.7 0.8 409 9 2 -4 41.278 82.555 0.369 3.11 4 18.8 0.5 410 3 3 5 41.295 82.59 0.369 3.11 4 86.9 10.1 411 8 1 3 41.357 82.713 0.369 3.1 4 6.7 0.1 412 10 0 0 41.375 82.751 0.369 3.1 2 49.4 1.6 413 7 1 -7 41.385 82.771 0.37 3.1 4 64.8 5.6 414 9 0 2 41.415 82.831 0.37 3.09 2 19.9 0.3 415 4 4 -4 41.5 83.0 0.37 3.09 4 103.0 14.1 416 5 2 5 41.632 83.264 0.371 3.07 4 28.1 1.0 417 8 3 -3 41.644 83.288 0.371 3.07 4 14.5 0.3 418 1 0 -8 41.646 83.292 0.371 3.07 2 25.4 0.4 419 3 1 -8 41.94 83.88 0.374 3.04 4 1.8 0.0 420 6 3 3 41.97 83.941 0.374 3.04 4 17.8 0.4 421 5 3 -6 41.993 83.986 0.374 3.04 4 9.2 0.1 422 6 1 5 42.011 84.023 0.374 3.04 4 34.1 1.5 423 6 4 -1 42.057 84.115 0.374 3.03 4 42.1 2.3 424 5 0 -8 42.069 84.138 0.375 3.03 2 20.8 0.3 425 9 0 -6 42.072 84.144 0.375 3.03 2 6.6 0.0 426 2 1 -8 42.086 84.172 0.375 3.03 4 4.0 0.0 427 10 1 -4 42.091 84.182 0.375 3.03 4 6.2 0.0 428 8 3 0 42.118 84.236 0.375 3.03 4 27.9 1.0 429 6 4 -2 42.25 84.501 0.376 3.02 4 99.6 12.9 430 1 3 6 42.273 84.545 0.376 3.01 4 0.1 0.0 431 4 1 -8 42.297 84.594 0.376 3.01 4 41.0 2.2 432 1 2 7 42.404 84.807 0.377 3.0 4 28.2 1.0 433 5 3 4 42.461 84.922 0.377 3.0 4 14.1 0.3 434 7 3 2 42.462 84.924 0.377 3.0 4 33.6 1.5 435 10 1 0 42.465 84.93 0.377 3.0 4 0.7 0.0 436 9 1 2 42.505 85.01 0.378 2.99 4 53.1 3.6 437 7 3 -5 42.585 85.17 0.378 2.99 4 77.6 7.7 438 6 2 -7 42.61 85.22 0.378 2.99 4 9.4 0.1 439 2 4 4 42.693 85.385 0.379 2.98 4 73.9 7.0 440 6 4 0 42.694 85.389 0.379 2.98 4 25.8 0.9 441 5 0 6 42.723 85.446 0.379 2.98 2 9.7 0.1 442 1 1 -8 42.734 85.469 0.379 2.97 4 1.9 0.0 443 0 0 8 42.798 85.596 0.38 2.97 2 28.6 0.5 444 9 2 1 42.945 85.89 0.381 2.96 4 5.7 0.0 445 5 4 -4 43.062 86.123 0.382 2.95 4 53.2 3.6 446 8 3 -4 43.146 86.292 0.382 2.94 4 13.2 0.2 447 5 1 -8 43.156 86.312 0.382 2.94 4 1.5 0.0 448 9 1 -6 43.159 86.318 0.382 2.94 4 24.0 0.7 449 8 2 -6 43.201 86.402 0.383 2.94 4 61.7 4.8 450 2 4 -5 43.27 86.541 0.383 2.93 4 15.3 0.3 451 6 4 -3 43.272 86.544 0.383 2.93 4 0.2 0.0 452 5 4 2 43.341 86.683 0.384 2.93 4 19.3 0.5 453 1 4 -5 43.393 86.785 0.384 2.92 4 9.5 0.1 454 6 0 -8 43.43 86.86 0.384 2.92 2 117.5 8.7 455 9 2 -5 43.435 86.87 0.384 2.92 4 6.8 0.1 456 4 4 3 43.504 87.008 0.385 2.92 4 1.9 0.0 457 3 1 7 43.604 87.208 0.386 2.91 4 44.9 2.5 458 3 4 -5 43.649 87.299 0.386 2.91 4 5.4 0.0 459 1 5 0 43.685 87.369 0.386 2.9 4 47.8 2.9 460 6 3 -6 43.704 87.409 0.386 2.9 4 5.0 0.0 461 4 2 6 43.758 87.516 0.387 2.9 4 127.7 20.4 462 5 1 6 43.809 87.617 0.387 2.9 4 9.3 0.1 463 0 5 1 43.848 87.695 0.387 2.89 4 18.9 0.4 464 10 2 -2 43.879 87.758 0.387 2.89 4 93.3 10.8 465 0 1 8 43.883 87.766 0.387 2.89 4 2.9 0.0 466 1 5 -1 43.923 87.847 0.388 2.89 4 14.5 0.3 467 8 1 -7 43.927 87.855 0.388 2.89 4 41.0 2.1 468 4 3 5 43.93 87.86 0.388 2.89 4 2.9 0.0 469 8 3 1 43.933 87.866 0.388 2.89 4 4.4 0.0 470 0 4 5 44.016 88.032 0.388 2.88 4 48.3 2.9 471 10 1 -5 44.069 88.138 0.389 2.88 4 12.2 0.2 472 2 3 6 44.075 88.15 0.389 2.88 4 18.9 0.4 473 6 4 1 44.158 88.315 0.389 2.87 4 2.5 0.0 474 10 2 -3 44.199 88.398 0.39 2.87 4 9.0 0.1 475 1 5 1 44.273 88.546 0.39 2.87 4 28.9 1.0 476 2 2 7 44.38 88.761 0.391 2.86 4 10.7 0.1 477 10 2 -1 44.385 88.771 0.391 2.86 4 8.7 0.1 478 2 5 0 44.436 88.872 0.391 2.86 4 42.7 2.2 479 1 0 8 44.447 88.894 0.391 2.86 2 15.5 0.1 480 7 2 4 44.452 88.905 0.391 2.86 4 11.0 0.1 481 11 0 -2 44.454 88.907 0.391 2.86 2 45.0 1.2 482 2 5 -1 44.5 89.0 0.392 2.85 4 9.3 0.1 483 6 1 -8 44.514 89.028 0.392 2.85 4 9.5 0.1 484 4 4 -5 44.529 89.058 0.392 2.85 4 1.1 0.0 485 8 0 4 44.573 89.145 0.392 2.85 2 7.6 0.0 486 8 2 3 44.616 89.233 0.393 2.85 4 22.2 0.6 487 10 1 1 44.628 89.255 0.393 2.85 4 39.2 1.9 488 7 2 -7 44.645 89.29 0.393 2.85 4 24.0 0.7 489 3 4 4 44.645 89.29 0.393 2.85 4 40.0 2.0 490 9 3 -2 44.889 89.777 0.395 2.83 4 6.5 0.1 491 2 3 -7 44.908 89.816 0.395 2.83 4 16.6 0.3 492 3 3 -7 44.937 89.874 0.395 2.83 4 59.3 4.3 493 1 5 -2 44.989 89.978 0.395 2.83 4 0.6 0.0 X-ray diffraction powder data (I)...X-Ray wave length = 1.78892 (angs.): No H K L Theta 2*Theta d I int I int.n. I p.h.n. H(Si) ( degree ) (angstrem) *100 *100 1 2 0 0 7.597 15.193 6.76606 31.5 4.3 4.3 5.6 2 1 1 0 8.776 17.551 5.86279 14.9 2.0 2.0 5.6 3 0 1 1 9.301 18.601 5.53448 57.8 7.9 7.9 5.6 4 1 0 -2 9.479 18.959 5.43103 91.1 12.4 12.4 5.6 5 1 1 -1 9.535 19.07 5.39956 21.4 2.9 2.9 5.6 6 0 0 2 9.779 19.559 5.26607 42.7 5.8 5.8 5.6 7 1 1 1 10.552 21.104 4.88431 735.4 100.0 100.0 5.6 8 2 0 -2 10.647 21.294 4.84118 383.8 52.2 52.2 5.6 9 1 0 2 11.436 22.873 4.51114 76.0 10.3 10.3 5.6 10 2 1 1 12.88 25.761 4.01256 78.5 10.7 10.6 5.6 11 3 1 -1 13.726 27.451 3.76973 422.7 57.5 57.2 5.6 12 2 0 2 13.999 27.998 3.69762 130.3 17.7 17.6 5.6 13 4 0 0 15.331 30.662 3.38303 41.3 5.6 5.6 5.6 14 3 1 1 15.849 31.698 3.2752 32.7 4.4 4.4 5.6 15 0 2 0 15.962 31.925 3.2525 168.0 22.8 22.6 5.6 16 1 1 -3 16.329 32.658 3.18141 105.0 14.3 14.2 5.6 17 2 1 -3 16.745 33.491 3.1045 64.8 8.8 8.7 5.7 18 0 1 3 16.829 33.658 3.08949 15.1 2.0 2.0 5.7 19 1 2 -1 16.864 33.729 3.08319 9.7 1.3 1.3 5.7 20 3 0 2 17.1 34.199 3.04201 31.6 4.3 4.3 5.7 21 4 1 0 17.338 34.677 3.0014 46.9 6.4 6.3 5.7 22 4 1 -2 17.784 35.567 2.9286 35.5 4.8 4.8 5.7 23 3 1 -3 18.022 36.043 2.89116 12.2 1.7 1.6 5.7 24 1 1 3 18.179 36.357 2.86704 7.9 1.1 1.1 5.7 25 1 2 -2 18.696 37.393 2.79038 45.1 6.1 6.0 5.7 26 3 1 2 18.941 37.882 2.75559 28.6 3.9 3.8 5.7 27 1 0 -4 19.147 38.294 2.72707 69.7 9.5 9.3 5.7 28 4 1 1 19.206 38.411 2.71905 90.0 12.2 12.1 5.7 29 2 2 -2 19.348 38.696 2.69978 9.0 1.2 1.2 5.7 30 1 2 2 19.818 39.636 2.63827 87.6 11.9 11.7 5.7 31 0 0 4 19.859 39.718 2.63304 34.8 4.7 4.7 5.7 32 4 1 -3 20.016 40.032 2.61324 48.0 6.5 6.4 5.7 33 3 0 -4 20.104 40.209 2.60219 14.2 1.9 1.9 5.7 34 4 0 2 20.543 41.086 2.549 15.8 2.2 2.1 5.7 35 3 2 -2 20.749 41.499 2.52471 10.9 1.5 1.5 5.7 36 5 1 -2 20.835 41.67 2.51478 17.8 2.4 2.4 5.7 37 5 1 0 20.975 41.95 2.49878 16.4 2.2 2.2 5.7 38 3 2 1 21.245 42.491 2.46842 27.1 3.7 3.6 5.7 39 1 0 4 21.301 42.601 2.4623 46.3 6.3 6.2 5.7 40 2 2 2 21.485 42.97 2.44215 8.0 1.1 1.1 5.7 41 4 0 -4 21.686 43.372 2.42059 23.1 3.1 3.1 5.7 42 3 1 -4 21.729 43.458 2.41605 22.4 3.1 3.0 5.7 43 0 2 3 22.017 44.035 2.38593 38.9 5.3 5.2 5.7 44 4 2 0 22.426 44.852 2.34465 14.0 1.9 1.9 5.7 45 5 1 -3 22.572 45.144 2.33028 10.3 1.4 1.4 5.7 46 6 0 -2 22.752 45.503 2.31283 29.9 4.1 4.0 5.7 47 4 2 -2 22.787 45.574 2.30945 23.9 3.3 3.2 5.7 48 5 1 1 22.833 45.667 2.305 39.8 5.4 5.3 5.7 49 3 2 -3 22.981 45.963 2.29096 8.3 1.1 1.1 5.7 50 2 0 4 23.363 46.726 2.25557 17.2 2.3 2.3 5.7 51 5 0 -4 23.864 47.728 2.21089 9.0 1.2 1.2 5.7 52 6 1 -2 24.233 48.467 2.17918 23.3 3.2 3.1 5.7 53 1 3 -1 25.007 50.014 2.11592 11.8 1.6 1.6 5.7 54 1 3 1 25.46 50.919 2.08074 30.2 4.1 4.0 5.8 55 1 1 -5 25.721 51.443 2.06099 23.6 3.2 3.1 5.8 56 0 2 4 25.917 51.834 2.0465 10.2 1.4 1.4 5.8 57 3 1 -5 26.048 52.096 2.03692 20.8 2.8 2.7 5.8 58 1 3 -2 26.37 52.741 2.01377 26.6 3.6 3.5 5.8 59 4 2 2 26.476 52.953 2.00628 43.7 5.9 5.8 5.8 60 0 1 5 26.509 53.018 2.00398 46.4 6.3 6.1 5.8 61 2 3 -2 26.872 53.744 1.97891 7.5 1.0 1.0 5.8 62 1 2 4 27.105 54.21 1.96318 104.3 14.2 13.7 5.8 63 4 2 -4 27.427 54.855 1.94184 17.0 2.3 2.2 5.8 64 7 1 -1 27.894 55.788 1.9119 66.1 9.0 8.7 5.8 65 6 0 2 28.159 56.318 1.89537 9.3 1.3 1.2 5.8 66 6 2 -2 28.33 56.66 1.88487 29.4 4.0 3.9 5.8 67 3 3 1 28.374 56.748 1.88217 37.8 5.1 5.0 5.8 68 1 3 -3 28.679 57.358 1.86385 12.6 1.7 1.6 5.8 69 5 1 -5 28.812 57.624 1.85598 23.6 3.2 3.1 5.8 70 2 2 4 28.854 57.708 1.85349 72.7 9.9 9.5 5.8 71 7 1 -3 28.923 57.847 1.84943 42.2 5.7 5.5 5.8 72 5 1 3 29.251 58.501 1.83055 24.1 3.3 3.1 5.8 73 2 0 -6 29.371 58.743 1.82369 15.8 2.1 2.1 5.8 74 3 0 -6 29.609 59.219 1.81034 25.6 3.5 3.3 5.8 75 3 3 -3 29.799 59.599 1.79985 24.1 3.3 3.1 5.8 76 1 3 3 29.907 59.813 1.79399 12.3 1.7 1.6 5.8 77 4 0 -6 30.423 60.845 1.76639 11.8 1.6 1.5 5.8 78 4 3 1 30.623 61.246 1.75596 16.0 2.2 2.1 5.8 79 7 1 1 30.758 61.515 1.74902 30.1 4.1 3.9 5.8 80 6 2 -4 31.639 63.279 1.70512 38.0 5.2 4.9 5.9 81 8 0 0 31.924 63.848 1.69151 15.1 2.1 2.0 5.9 82 3 1 5 32.219 64.438 1.67767 29.4 4.0 3.8 5.9 83 7 2 0 32.565 65.129 1.66179 10.1 1.4 1.3 5.9 84 8 0 -4 33.055 66.109 1.6399 7.7 1.0 1.0 5.9 85 5 3 -3 33.123 66.246 1.6369 14.0 1.9 1.8 5.9 86 1 3 4 33.344 66.687 1.6273 37.7 5.1 4.9 5.9 87 7 1 -5 33.625 67.25 1.61527 19.1 2.6 2.5 5.9 88 2 2 -6 34.215 68.431 1.5907 15.5 2.1 2.0 5.9 89 2 4 0 34.449 68.899 1.58122 8.6 1.2 1.1 5.9 90 4 2 -6 35.186 70.372 1.55225 12.6 1.7 1.6 5.9 91 0 2 6 35.383 70.765 1.54475 35.7 4.9 4.6 5.9 92 2 4 -2 35.466 70.932 1.5416 14.2 1.9 1.8 5.9 93 1 3 -5 35.645 71.29 1.53487 12.6 1.7 1.6 5.9 94 1 4 2 35.779 71.558 1.52988 17.1 2.3 2.2 5.9 95 3 1 -7 36.13 72.259 1.51702 23.8 3.2 3.0 5.9 96 6 3 1 36.448 72.896 1.50558 8.1 1.1 1.0 6.0 97 9 1 -3 36.597 73.194 1.50031 41.0 5.6 5.2 6.0 98 8 0 2 36.705 73.409 1.49653 11.8 1.6 1.5 6.0 99 2 4 2 36.931 73.863 1.48864 9.0 1.2 1.1 6.0 100 7 1 -6 37.147 74.294 1.48123 10.9 1.5 1.4 6.0 101 1 3 5 37.47 74.94 1.47031 11.2 1.5 1.4 6.0 102 4 4 0 37.609 75.217 1.4657 18.0 2.4 2.3 6.0 103 8 2 -4 37.651 75.301 1.4643 11.9 1.6 1.5 6.0 104 5 3 3 38.646 77.293 1.43225 10.1 1.4 1.3 6.0 105 1 1 7 39.116 78.232 1.41777 14.6 2.0 1.8 6.0 106 4 0 6 39.389 78.778 1.40952 11.8 1.6 1.5 6.0 107 5 4 0 39.917 79.833 1.39395 8.2 1.1 1.0 6.0 108 9 1 -5 40.163 80.326 1.38684 15.2 2.1 1.9 6.0 109 0 2 7 40.921 81.841 1.36556 8.2 1.1 1.0 6.1 110 8 2 2 41.142 82.283 1.35952 14.9 2.0 1.9 6.1 111 3 3 5 41.295 82.59 1.35538 10.1 1.4 1.3 6.1 112 4 4 -4 41.5 83.0 1.34989 14.1 1.9 1.8 6.1 113 6 4 -2 42.25 84.501 1.33031 12.9 1.8 1.6 6.1 114 7 3 -5 42.585 85.17 1.32183 7.9 1.1 1.0 6.1 115 2 4 4 42.693 85.385 1.31914 7.9 1.1 1.0 6.1 116 6 0 -8 43.43 86.86 1.3011 8.7 1.2 1.1 6.1 117 4 2 6 43.758 87.516 1.2933 20.4 2.8 2.5 6.2 118 10 2 -2 43.879 87.758 1.29045 10.9 1.5 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) |