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 3, syn, f-hexahydrite, g-melanterite (Fe,Cu)SO(4).7H(2)O Monoclinic P 2(1)/c Z = 4 R =0.088 NR =2815 20 .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 = 14.04 alpha = 90.0 b = 6.502 beta = 105.81 c = 10.952 gamma = 90.0 Unit cell volume (cub. angs.) = 961.97 Molar volume ( cub.cm/mol.) = 144.86 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 = 1.00 3 0.7732 0.9711 0.3237 0.0 S = 1.00 4 0.796 0.9707 0.4638 0.0 O = 1.00 5 0.8634 0.0368 0.2891 0.0 O = 1.00 6 0.6918 0.116 0.2727 0.0 O = 1.00 7 0.7447 0.764 0.2736 0.0 O = 1.00 8 0.8883 0.883 0.0688 0.0 H(2)O = 1.00 9 0.1008 0.9557 0.183 0.0 H(2)O = 1.00 10 0.9694 0.2964 0.0679 0.0 H(2)O = 1.00 11 0.5198 0.9573 0.3193 0.0 H(2)O = 1.00 12 0.4311 0.2862 0.4411 0.0 H(2)O = 1.00 13 0.3534 0.8593 0.4401 0.0 H(2)O = 1.00 14 0.3632 0.0056 0.1148 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 0.7732 0.9711 0.3237 4 4 0.796 0.9707 0.4638 5 5 0.8634 0.0368 0.2891 6 6 0.6918 0.116 0.2727 7 7 0.7447 0.764 0.2736 8 8 0.8883 0.883 0.0688 9 9 0.1008 0.9557 0.183 10 10 0.9694 0.2964 0.0679 11 11 0.5198 0.9573 0.3193 12 12 0.4311 0.2862 0.4411 13 13 0.3534 0.8593 0.4401 14 14 0.3632 0.0056 0.1148 15 1 0.0 0.5 0.5 16 2 0.5 0.5 0.0 17 3 0.2268 0.4711 0.1763 18 4 0.204 0.4707 0.0362 19 5 0.1366 0.5368 0.2109 20 6 0.3082 0.616 0.2273 21 7 0.2553 0.264 0.2264 22 8 0.1117 0.383 0.4312 23 9 0.8992 0.4557 0.317 24 10 0.0306 0.7964 0.4321 25 11 0.4802 0.4573 0.1807 26 12 0.5689 0.7862 0.0589 27 13 0.6466 0.3593 0.0599 28 14 0.6368 0.5056 0.3852 29 3 0.7732 0.5289 0.8237 30 4 0.796 0.5293 0.9638 31 5 0.8634 0.4632 0.7891 32 6 0.6918 0.384 0.7727 33 7 0.7447 0.736 0.7736 34 8 0.8883 0.617 0.5688 35 9 0.1008 0.5443 0.683 36 10 0.9694 0.2036 0.5679 37 11 0.5198 0.5427 0.8193 38 12 0.4311 0.2138 0.9411 39 13 0.3534 0.6407 0.9401 40 14 0.3632 0.4944 0.6148 41 3 0.2268 0.0289 0.6763 42 4 0.204 0.0293 0.5362 43 5 0.1366 0.9632 0.7109 44 6 0.3082 0.884 0.7273 45 7 0.2553 0.236 0.7264 46 8 0.1117 0.117 0.9312 47 9 0.8992 0.0443 0.817 48 10 0.0306 0.7036 0.9321 49 11 0.4802 0.0427 0.6807 50 12 0.5689 0.7138 0.5589 51 13 0.6466 0.1407 0.5599 52 14 0.6368 0.9944 0.8852 X-ray density (g/cm cub.) = 1.92 MU (1/cm) = 73.807 Mass attenuation coefficient (cm**2/g) = 38.462 Selected interatomic distances (cation-anion,anion-anion): NoP Atom Rad.sph. C.N. Distance NoP N. (angs.) (angs.) 1 Fe 2.76 6 2.0615 8 2.1348 9 2.1508 10 2.0615 8 2.1348 9 2.1508 10 2 Fe 2.76 6 2.0906 11 2.1154 12 2.1836 13 2.0906 11 2.1154 12 2.1836 13 3 S 2.148 4 1.4796 4 1.4803 5 1.469 6 1.4679 7 4 O 3.432 6 2.3932 5 2.3968 6 2.418 7 2.7347 8 2.8298 10 2.8164 13 5 O 3.432 7 2.3932 4 2.422 6 2.4079 7 2.7209 8 2.7714 9 2.8989 10 3.1997 10 6 O 3.432 8 2.3968 4 2.422 5 2.4054 7 2.7979 11 3.295 12 2.7443 13 3.0083 14 3.3778 13 7 O 3.432 6 2.418 4 2.4079 5 2.4054 6 2.8962 9 2.912 12 2.7605 14 8 H(2)O 3.6 8 2.7209 5 3.4869 7 2.9421 9 2.9202 10 2.7347 4 3.4466 7 2.993 9 3.037 10 9 H(2)O 3.6 8 2.9421 8 2.9381 10 2.7714 5 3.581 6 2.8962 7 3.3094 10 2.993 8 3.1198 10 10 H(2)O 3.6 11 3.5913 5 2.9202 8 2.9381 9 3.5885 4 2.8989 5 3.3094 9 2.8298 4 3.1997 5 3.037 8 3.1198 9 3.2644 10 11 H(2)O 3.6 11 2.7979 6 3.5583 7 2.968 12 3.0494 13 2.6955 14 3.5668 11 3.5668 11 3.3042 12 3.3465 14 2.9803 12 2.9964 13 12 H(2)O 3.6 10 2.968 11 2.9813 13 3.295 6 2.912 7 3.3042 11 3.4226 14 2.7108 14 2.9803 11 3.4318 12 3.0979 13 13 H(2)O 3.6 9 3.0494 11 2.9813 12 2.7443 6 3.5415 7 3.0274 14 2.8164 4 3.3778 6 2.9964 11 3.0979 12 14 H(2)O 3.6 7 2.6955 11 3.0083 6 2.7605 7 3.3465 11 3.4226 12 2.7108 12 3.0274 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 3.796 7.593 0.037 453.2 2 7.3 5.2 2 2 0 0 7.61 15.22 0.074 111.1 2 37.3 33.3 3 1 1 0 8.782 17.564 0.085 82.87 4 19.8 14.1 4 0 1 1 9.302 18.605 0.09 73.61 4 41.5 54.8 5 1 0 -2 9.472 18.943 0.092 70.93 2 77.7 92.5 6 1 1 -1 9.537 19.074 0.093 69.93 4 25.7 19.9 7 0 0 2 9.774 19.548 0.095 66.48 2 52.0 38.9 8 1 1 1 10.558 21.117 0.102 56.66 4 171.1 717.3 9 2 0 -2 10.642 21.285 0.103 55.74 2 179.4 387.8 10 2 1 0 11.008 22.016 0.107 51.95 4 8.5 1.6 11 2 1 -1 11.172 22.344 0.108 50.38 4 12.9 3.6 12 1 0 2 11.438 22.877 0.111 47.96 2 78.5 64.0 13 3 0 0 11.457 22.915 0.111 47.8 2 24.5 6.2 14 1 1 -2 12.385 24.771 0.12 40.6 4 11.3 2.2 15 0 1 2 12.621 25.242 0.122 39.02 4 13.1 2.9 16 2 1 1 12.893 25.787 0.125 37.31 4 71.5 82.4 17 3 0 -2 12.908 25.816 0.125 37.22 2 29.8 7.2 18 2 1 -2 13.314 26.628 0.129 34.86 4 16.1 3.9 19 3 1 -1 13.738 27.476 0.133 32.62 4 176.1 437.5 20 1 1 2 13.967 27.933 0.135 31.5 4 2.9 0.1 21 3 1 0 13.982 27.965 0.135 31.42 4 18.4 4.6 22 2 0 2 14.01 28.02 0.135 31.29 2 134.9 123.1 23 3 1 -2 15.209 30.419 0.147 26.25 4 6.9 0.5 24 4 0 0 15.358 30.716 0.148 25.71 2 88.2 43.3 25 4 0 -2 15.836 31.672 0.153 24.07 2 9.0 0.4 26 3 1 1 15.87 31.739 0.153 23.96 4 51.8 27.8 27 0 2 0 15.97 31.94 0.154 23.64 2 180.3 166.1 28 2 1 2 16.167 32.335 0.156 23.02 4 1.5 0.0 29 1 1 -3 16.32 32.641 0.157 22.55 4 103.4 104.2 30 1 2 0 16.439 32.877 0.158 22.2 4 12.1 1.4 31 0 2 1 16.734 33.468 0.161 21.36 4 38.2 13.5 32 2 1 -3 16.737 33.474 0.161 21.35 4 72.1 48.0 33 0 1 3 16.824 33.648 0.162 21.11 4 38.3 13.4 34 4 1 -1 16.85 33.701 0.162 21.04 4 17.1 2.7 35 1 2 -1 16.871 33.742 0.162 20.99 4 33.2 10.0 36 3 0 2 17.12 34.239 0.165 20.33 2 88.2 34.2 37 4 1 0 17.364 34.729 0.167 19.71 4 71.9 44.1 38 1 2 1 17.493 34.985 0.168 19.39 4 17.1 2.5 39 2 2 0 17.779 35.558 0.171 18.72 4 32.7 8.7 40 4 1 -2 17.794 35.588 0.171 18.68 4 56.3 25.6 41 2 2 -1 17.885 35.77 0.172 18.48 4 6.5 0.3 42 3 1 -3 18.017 36.034 0.173 18.18 4 33.2 8.7 43 1 1 3 18.179 36.359 0.174 17.83 4 29.5 6.7 44 1 2 -2 18.699 37.397 0.179 16.75 4 79.3 45.6 45 0 2 2 18.862 37.724 0.181 16.44 4 23.4 3.9 46 3 1 2 18.961 37.922 0.182 16.25 4 63.9 28.7 47 2 2 1 19.053 38.106 0.182 16.07 4 33.8 8.0 48 1 0 -4 19.132 38.263 0.183 15.93 2 115.6 46.0 49 5 0 -2 19.167 38.334 0.184 15.86 2 79.4 21.6 50 2 0 -4 19.215 38.43 0.184 15.78 2 16.1 0.9 51 4 1 1 19.234 38.469 0.184 15.74 4 109.0 80.8 52 5 0 0 19.333 38.667 0.185 15.56 2 8.2 0.2 53 2 2 -2 19.352 38.704 0.185 15.53 4 37.3 9.4 54 3 2 -1 19.658 39.317 0.188 15.0 4 20.5 2.7 55 1 2 2 19.826 39.651 0.19 14.72 4 87.3 48.5 56 3 2 0 19.837 39.674 0.19 14.7 4 73.4 34.2 57 0 0 4 19.848 39.696 0.19 14.68 2 102.6 33.4 58 4 1 -3 20.017 40.033 0.191 14.41 4 93.6 54.6 59 3 0 -4 20.09 40.18 0.192 14.29 2 64.9 13.0 60 2 1 3 20.24 40.479 0.193 14.06 4 32.1 6.3 61 5 1 -1 20.305 40.61 0.194 13.96 4 3.4 0.1 62 4 0 2 20.572 41.143 0.196 13.56 2 65.6 12.6 63 3 2 -2 20.757 41.514 0.198 13.29 4 45.8 12.1 64 1 1 -4 20.82 41.641 0.199 13.2 4 26.3 3.9 65 5 1 -2 20.854 41.707 0.199 13.15 4 48.0 13.1 66 2 1 -4 20.898 41.796 0.199 13.09 4 0.0 0.0 67 5 1 0 21.009 42.017 0.2 12.93 4 52.3 15.3 68 3 2 1 21.266 42.532 0.203 12.59 4 72.2 28.3 69 1 0 4 21.297 42.594 0.203 12.55 2 130.1 45.9 70 0 1 4 21.49 42.98 0.205 12.29 4 2.1 0.0 71 2 2 2 21.498 42.997 0.205 12.28 4 33.1 5.8 72 1 2 -3 21.619 43.238 0.206 12.13 4 25.9 3.5 73 4 0 -4 21.676 43.352 0.206 12.06 2 88.2 20.3 74 3 1 -4 21.717 43.433 0.207 12.01 4 65.8 22.5 75 2 2 -3 21.948 43.897 0.209 11.72 4 1.2 0.0 76 0 2 3 22.018 44.035 0.21 11.64 4 78.4 30.9 77 4 2 -1 22.039 44.077 0.21 11.62 4 40.2 8.1 78 4 1 2 22.169 44.339 0.211 11.46 4 20.0 2.0 79 4 2 0 22.451 44.902 0.213 11.14 4 53.1 13.6 80 5 1 -3 22.58 45.16 0.215 11.0 4 40.7 7.9 81 6 0 -2 22.778 45.557 0.216 10.78 2 112.3 29.4 82 4 2 -2 22.8 45.599 0.217 10.76 4 69.4 22.4 83 3 1 3 22.85 45.699 0.217 10.71 4 37.5 6.5 84 1 1 4 22.854 45.707 0.217 10.7 4 31.4 4.6 85 5 1 1 22.87 45.74 0.217 10.69 4 73.2 24.8 86 3 2 -3 22.981 45.963 0.218 10.57 4 42.2 8.1 87 1 2 3 23.115 46.23 0.219 10.43 4 10.5 0.5 88 4 1 -4 23.213 46.425 0.22 10.33 4 2.1 0.0 89 2 0 4 23.368 46.735 0.222 10.18 2 65.6 9.5 90 6 0 0 23.408 46.816 0.222 10.14 2 57.7 7.3 91 3 2 2 23.761 47.523 0.225 9.8 4 6.0 0.2 92 5 0 -4 23.861 47.722 0.226 9.71 2 62.8 8.3 93 4 2 1 23.99 47.979 0.227 9.59 4 15.9 1.1 94 6 1 -1 24.011 48.023 0.227 9.57 4 1.3 0.0 95 6 1 -2 24.26 48.52 0.23 9.35 4 70.3 19.9 96 5 0 2 24.277 48.555 0.23 9.33 2 55.2 6.1 97 4 2 -3 24.649 49.298 0.233 9.02 4 37.7 5.5 98 1 3 0 24.707 49.414 0.234 8.97 4 20.2 1.6 99 2 1 4 24.823 49.645 0.235 8.87 4 9.4 0.3 100 2 2 3 24.839 49.677 0.235 8.86 4 6.6 0.2 101 6 1 0 24.861 49.722 0.235 8.84 4 29.6 3.3 102 5 2 -1 24.894 49.789 0.235 8.81 4 9.9 0.4 103 0 3 1 24.919 49.838 0.236 8.79 4 11.1 0.5 104 1 3 -1 25.018 50.036 0.236 8.72 4 56.3 11.9 105 5 1 -4 25.294 50.589 0.239 8.5 4 21.2 1.7 106 1 2 -4 25.335 50.671 0.239 8.47 4 6.3 0.1 107 5 2 -2 25.364 50.728 0.239 8.45 4 30.4 3.4 108 2 2 -4 25.402 50.804 0.24 8.42 4 42.3 6.5 109 1 3 1 25.473 50.946 0.24 8.37 4 87.0 27.3 110 5 2 0 25.497 50.994 0.241 8.35 4 7.0 0.2 111 2 1 -5 25.546 51.091 0.241 8.31 4 15.5 0.9 112 6 1 -3 25.583 51.167 0.241 8.28 4 7.1 0.2 113 2 3 0 25.685 51.37 0.242 8.21 4 32.7 3.8 114 5 1 2 25.694 51.387 0.242 8.2 4 0.6 0.0 115 1 1 -5 25.704 51.409 0.242 8.19 4 78.2 21.6 116 2 3 -1 25.764 51.529 0.243 8.15 4 6.3 0.1 117 4 1 3 25.89 51.781 0.244 8.06 4 31.6 3.5 118 0 2 4 25.913 51.827 0.244 8.05 4 47.0 7.7 119 3 0 4 25.95 51.901 0.245 8.02 2 34.6 2.1 120 3 1 -5 26.029 52.058 0.245 7.96 4 76.5 20.2 121 3 2 -4 26.11 52.22 0.246 7.91 4 10.9 0.4 122 1 3 -2 26.378 52.757 0.248 7.73 4 89.6 26.8 123 0 1 5 26.497 52.994 0.249 7.65 4 83.9 23.3 124 0 3 2 26.504 53.007 0.249 7.64 4 2.4 0.0 125 4 2 2 26.505 53.01 0.249 7.64 4 108.3 38.8 126 6 0 -4 26.537 53.074 0.25 7.62 2 107.7 19.1 127 7 0 -2 26.62 53.24 0.25 7.57 2 38.4 2.4 128 2 3 1 26.65 53.3 0.251 7.55 4 45.4 6.7 129 6 1 1 26.732 53.464 0.251 7.5 4 41.0 5.4 130 5 2 -3 26.865 53.731 0.253 7.41 4 3.2 0.0 131 2 3 -2 26.881 53.762 0.253 7.4 4 48.0 7.4 132 3 2 3 27.103 54.206 0.255 7.26 4 8.0 0.2 133 1 2 4 27.106 54.213 0.255 7.26 4 43.1 5.8 134 3 3 -1 27.119 54.239 0.255 7.25 4 172.9 93.7 135 5 2 1 27.121 54.242 0.255 7.25 4 32.4 3.3 136 4 1 -5 27.13 54.26 0.255 7.25 4 27.1 2.3 137 1 3 2 27.25 54.5 0.256 7.17 4 10.3 0.3 138 3 3 0 27.259 54.518 0.256 7.17 4 11.1 0.4 139 3 1 4 27.304 54.607 0.256 7.14 4 34.8 3.7 140 4 2 -4 27.424 54.848 0.257 7.07 4 69.4 14.7 141 7 0 0 27.613 55.225 0.259 6.96 2 44.6 3.0 142 6 1 -4 27.871 55.741 0.261 6.82 4 41.4 5.1 143 1 1 5 27.885 55.77 0.261 6.81 4 106.9 33.6 144 7 1 -1 27.939 55.877 0.262 6.78 4 90.5 24.0 145 7 1 -2 27.951 55.902 0.262 6.77 4 35.7 3.7 146 3 3 -2 27.988 55.975 0.262 6.75 4 5.9 0.1 147 6 2 -1 28.135 56.27 0.264 6.67 4 32.9 3.1 148 6 0 2 28.206 56.413 0.264 6.63 2 74.1 7.9 149 6 2 -2 28.357 56.715 0.266 6.55 4 101.0 28.9 150 3 3 1 28.397 56.794 0.266 6.53 4 113.3 36.3 151 2 3 2 28.585 57.17 0.267 6.44 4 28.7 2.3 152 1 3 -3 28.683 57.366 0.268 6.39 4 65.1 11.7 153 5 1 -5 28.8 57.6 0.269 6.33 4 89.8 22.1 154 2 2 4 28.863 57.726 0.27 6.3 4 127.2 44.0 155 6 2 0 28.898 57.795 0.27 6.28 4 87.4 20.7 156 7 1 0 28.913 57.825 0.27 6.27 4 49.3 6.6 157 7 1 -3 28.949 57.897 0.271 6.26 4 96.8 25.4 158 2 3 -3 28.952 57.904 0.271 6.25 4 3.6 0.0 159 4 0 4 28.958 57.917 0.271 6.25 2 98.3 13.0 160 0 3 3 29.009 58.017 0.271 6.23 4 16.5 0.7 161 4 3 -1 29.026 58.052 0.271 6.22 4 11.1 0.3 162 5 1 3 29.288 58.575 0.273 6.09 4 91.3 22.0 163 5 2 -4 29.289 58.578 0.273 6.09 4 6.5 0.1 164 2 0 -6 29.345 58.69 0.274 6.07 2 109.6 15.8 165 4 3 0 29.365 58.731 0.274 6.06 4 24.0 1.5 166 6 1 2 29.489 58.979 0.275 6.0 4 18.6 0.9 167 2 2 -5 29.517 59.034 0.275 5.99 4 1.8 0.0 168 6 2 -3 29.551 59.102 0.276 5.97 4 23.3 1.4 169 3 0 -6 29.582 59.164 0.276 5.96 2 125.7 20.4 170 7 0 -4 29.625 59.25 0.276 5.94 2 66.7 5.7 171 5 2 2 29.651 59.302 0.277 5.93 4 5.8 0.1 172 4 3 -2 29.654 59.308 0.277 5.93 4 9.0 0.2 173 1 2 -5 29.661 59.322 0.277 5.92 4 10.3 0.3 174 1 0 -6 29.694 59.388 0.277 5.91 2 40.3 2.1 175 3 3 -3 29.805 59.61 0.278 5.86 4 76.3 14.7 176 2 1 5 29.815 59.63 0.278 5.85 4 54.3 7.4 177 4 2 3 29.83 59.661 0.278 5.85 4 25.8 1.7 178 1 3 3 29.916 59.833 0.279 5.81 4 68.5 11.8 179 3 2 -5 29.956 59.913 0.279 5.79 4 4.9 0.1 180 4 1 4 30.221 60.442 0.281 5.68 4 19.0 0.9 181 0 2 5 30.384 60.767 0.283 5.61 4 20.0 1.0 182 4 0 -6 30.397 60.794 0.283 5.61 2 92.6 10.4 183 3 3 2 30.459 60.919 0.283 5.58 4 18.6 0.8 184 2 1 -6 30.598 61.196 0.285 5.52 4 2.5 0.0 185 6 2 1 30.599 61.198 0.285 5.52 4 17.0 0.7 186 0 0 6 30.617 61.233 0.285 5.52 2 55.5 3.7 187 4 3 1 30.652 61.305 0.285 5.5 4 65.3 10.2 188 8 0 -2 30.684 61.367 0.285 5.49 2 24.6 0.7 189 7 1 1 30.813 61.626 0.286 5.44 4 107.9 27.4 190 3 1 -6 30.829 61.658 0.286 5.43 4 24.0 1.4 191 7 1 -4 30.871 61.742 0.287 5.42 4 2.8 0.0 192 1 1 -6 30.938 61.876 0.287 5.39 4 7.2 0.1 193 4 2 -5 30.965 61.929 0.288 5.38 4 17.6 0.7 194 6 1 -5 30.983 61.966 0.288 5.37 4 16.4 0.6 195 3 2 4 31.124 62.249 0.289 5.32 4 31.4 2.3 196 4 3 -3 31.214 62.427 0.29 5.29 4 10.8 0.3 197 2 3 3 31.376 62.752 0.291 5.23 4 14.5 0.5 198 5 3 -1 31.424 62.847 0.291 5.21 4 38.4 3.3 199 4 1 -6 31.625 63.25 0.293 5.14 4 10.9 0.3 200 6 2 -4 31.648 63.296 0.293 5.13 4 115.6 29.6 201 1 2 5 31.661 63.323 0.293 5.12 4 22.6 1.1 202 7 2 -1 31.711 63.422 0.294 5.11 4 34.4 2.6 203 7 2 -2 31.722 63.444 0.294 5.1 4 10.3 0.2 204 5 0 -6 31.763 63.526 0.294 5.09 2 32.2 1.1 205 1 3 -4 31.803 63.607 0.295 5.07 4 18.4 0.7 206 5 3 -2 31.828 63.656 0.295 5.07 4 41.9 3.8 207 0 1 6 31.84 63.679 0.295 5.06 4 5.1 0.1 208 2 3 -4 31.861 63.722 0.295 5.05 4 24.0 1.3 209 8 1 -2 31.905 63.811 0.295 5.04 4 18.5 0.7 210 5 3 0 31.943 63.887 0.296 5.03 4 19.2 0.8 211 8 0 0 31.985 63.971 0.296 5.01 2 118.3 15.2 212 1 0 6 32.084 64.169 0.297 4.98 2 36.4 1.4 213 8 1 -1 32.089 64.178 0.297 4.98 4 26.5 1.5 214 3 1 5 32.231 64.462 0.298 4.93 4 117.7 29.5 215 0 3 4 32.304 64.609 0.299 4.9 4 11.4 0.3 216 5 0 4 32.338 64.676 0.299 4.89 2 20.0 0.4 217 7 0 2 32.362 64.725 0.299 4.89 2 15.9 0.3 218 3 3 -4 32.476 64.952 0.3 4.85 4 0.8 0.0 219 5 2 -5 32.511 65.022 0.3 4.84 4 0.8 0.0 220 7 2 0 32.616 65.231 0.301 4.8 4 73.7 11.3 221 8 1 -3 32.637 65.273 0.301 4.8 4 27.7 1.6 222 7 2 -3 32.649 65.298 0.302 4.79 4 4.4 0.0 223 4 3 2 32.821 65.643 0.303 4.74 4 58.4 7.0 224 5 1 -6 32.962 65.925 0.304 4.7 4 23.3 1.1 225 5 2 3 32.966 65.931 0.304 4.7 4 31.8 2.1 226 6 1 3 33.006 66.011 0.304 4.68 4 15.0 0.5 227 8 0 -4 33.077 66.155 0.305 4.66 2 84.6 7.2 228 5 3 -3 33.138 66.276 0.306 4.64 4 67.0 9.0 229 6 2 2 33.154 66.309 0.306 4.64 4 36.0 2.6 230 8 1 0 33.18 66.36 0.306 4.63 4 14.1 0.4 231 1 1 6 33.277 66.555 0.307 4.6 4 7.2 0.1 232 3 3 3 33.347 66.695 0.307 4.58 4 24.3 1.2 233 1 3 4 33.35 66.701 0.307 4.58 4 43.5 3.7 234 5 3 1 33.363 66.727 0.307 4.58 4 79.7 12.6 235 0 4 0 33.385 66.771 0.308 4.57 2 129.8 16.6 236 2 2 5 33.459 66.919 0.308 4.55 4 27.5 1.5 237 5 1 4 33.526 67.053 0.309 4.53 4 23.4 1.1 238 7 1 2 33.55 67.1 0.309 4.52 4 23.3 1.1 239 7 1 -5 33.627 67.255 0.31 4.5 4 95.4 17.7 240 4 3 -4 33.631 67.263 0.31 4.5 4 22.2 1.0 241 6 0 -6 33.644 67.289 0.31 4.5 2 19.0 0.3 242 1 4 0 33.658 67.316 0.31 4.49 4 0.6 0.0 243 0 4 1 33.833 67.666 0.311 4.44 4 15.0 0.4 244 4 2 4 33.841 67.682 0.311 4.44 4 50.4 4.9 245 1 4 -1 33.915 67.83 0.312 4.42 4 32.9 2.1 246 2 0 6 34.06 68.12 0.313 4.38 2 1.0 0.0 247 2 2 -6 34.195 68.391 0.314 4.35 4 90.6 15.4 248 8 1 -4 34.252 68.505 0.315 4.33 4 9.0 0.2 249 6 3 -1 34.264 68.528 0.315 4.33 4 5.0 0.0 250 1 4 1 34.293 68.586 0.315 4.32 4 26.1 1.3 251 7 2 1 34.398 68.797 0.316 4.29 4 31.6 1.8 252 3 2 -6 34.414 68.827 0.316 4.29 4 8.4 0.1 253 7 2 -4 34.453 68.906 0.316 4.28 4 53.8 5.4 254 6 3 -2 34.463 68.927 0.316 4.28 4 25.1 1.2 255 2 4 0 34.47 68.94 0.316 4.28 4 45.6 3.8 256 1 2 -6 34.517 69.033 0.317 4.26 4 33.1 2.0 257 2 4 -1 34.537 69.073 0.317 4.26 4 3.6 0.0 258 6 2 -5 34.559 69.118 0.317 4.25 4 15.7 0.5 259 6 1 -6 34.81 69.621 0.319 4.19 4 22.3 0.9 260 2 3 4 34.917 69.835 0.32 4.16 4 9.8 0.2 261 6 3 0 34.949 69.898 0.32 4.16 4 44.1 3.5 262 9 0 -2 34.989 69.978 0.321 4.15 2 17.7 0.3 263 1 4 -2 35.054 70.108 0.321 4.13 4 42.4 3.2 264 4 1 5 35.089 70.177 0.321 4.12 4 4.3 0.0 265 8 1 1 35.135 70.271 0.322 4.11 4 3.2 0.0 266 0 4 2 35.16 70.32 0.322 4.11 4 34.9 2.2 267 4 2 -6 35.167 70.333 0.322 4.11 4 82.8 12.2 268 2 1 6 35.219 70.438 0.322 4.09 4 22.0 0.9 269 2 4 1 35.284 70.569 0.323 4.08 4 4.4 0.0 270 5 3 -4 35.302 70.604 0.323 4.07 4 2.4 0.0 271 0 2 6 35.37 70.741 0.324 4.06 4 139.8 34.3 272 8 2 -2 35.433 70.865 0.324 4.04 4 15.9 0.4 273 2 4 -2 35.481 70.962 0.324 4.03 4 86.9 13.2 274 2 3 -5 35.509 71.017 0.325 4.03 4 14.4 0.4 275 6 3 -3 35.54 71.079 0.325 4.02 4 19.4 0.7 276 8 2 -1 35.607 71.215 0.325 4.0 4 30.6 1.6 277 5 3 2 35.63 71.261 0.326 4.0 4 22.2 0.9 278 1 3 -5 35.639 71.279 0.326 4.0 4 76.1 10.0 279 3 4 -1 35.685 71.37 0.326 3.99 4 34.0 2.0 280 3 2 5 35.742 71.484 0.327 3.97 4 20.4 0.7 281 4 3 3 35.793 71.586 0.327 3.96 4 61.2 6.4 282 1 4 2 35.797 71.594 0.327 3.96 4 67.7 7.8 283 3 4 0 35.805 71.609 0.327 3.96 4 37.8 2.4 284 3 3 -5 35.908 71.816 0.328 3.94 4 53.4 4.8 285 7 0 -6 36.005 72.01 0.329 3.92 2 58.8 2.9 286 6 0 4 36.067 72.134 0.329 3.91 2 38.0 1.2 287 2 1 -7 36.069 72.137 0.329 3.9 4 6.6 0.1 288 3 1 -7 36.098 72.195 0.329 3.9 4 117.6 23.3 289 8 2 -3 36.129 72.257 0.33 3.89 4 34.1 2.0 290 9 1 -2 36.135 72.27 0.33 3.89 4 37.2 2.3 291 0 3 5 36.298 72.596 0.331 3.86 4 45.1 3.4 292 3 4 -2 36.433 72.866 0.332 3.83 4 18.1 0.5 293 5 2 -6 36.44 72.879 0.332 3.83 4 28.4 1.3 294 6 2 3 36.481 72.962 0.332 3.82 4 9.8 0.2 295 9 1 -1 36.492 72.984 0.332 3.82 4 43.0 3.1 296 6 3 1 36.495 72.99 0.332 3.82 4 51.6 4.4 297 3 0 6 36.509 73.017 0.333 3.81 2 2.8 0.0 298 1 1 -7 36.566 73.132 0.333 3.8 4 10.9 0.2 299 9 0 0 36.578 73.156 0.333 3.8 2 73.9 4.5 300 9 1 -3 36.643 73.285 0.334 3.79 4 119.4 23.3 301 8 2 0 36.648 73.296 0.334 3.79 4 96.9 15.4 302 4 1 -7 36.653 73.305 0.334 3.79 4 44.3 3.2 303 8 1 -5 36.699 73.397 0.334 3.78 4 38.2 2.4 304 1 2 6 36.741 73.481 0.334 3.77 4 19.5 0.6 305 8 0 2 36.775 73.549 0.335 3.76 2 80.9 5.3 306 3 4 1 36.789 73.578 0.335 3.76 4 19.1 0.6 307 4 3 -5 36.831 73.661 0.335 3.75 4 34.1 1.9 308 9 0 -4 36.879 73.757 0.335 3.74 2 54.2 2.4 309 2 4 2 36.953 73.907 0.336 3.73 4 67.2 7.3 310 3 3 4 36.978 73.955 0.336 3.72 4 21.6 0.8 311 5 2 4 36.979 73.958 0.336 3.72 4 6.6 0.1 312 7 2 2 37.002 74.004 0.336 3.72 4 4.9 0.0 313 1 4 -3 37.039 74.078 0.337 3.71 4 18.0 0.5 314 7 1 3 37.043 74.086 0.337 3.71 4 48.5 3.8 315 7 2 -5 37.076 74.152 0.337 3.71 4 11.4 0.2 316 7 1 -6 37.138 74.276 0.337 3.69 4 64.7 6.7 317 6 1 4 37.2 74.399 0.338 3.68 4 48.6 3.8 318 2 4 -3 37.275 74.55 0.339 3.67 4 18.9 0.6 319 0 4 3 37.325 74.65 0.339 3.66 4 16.1 0.4 320 4 4 -1 37.34 74.68 0.339 3.66 4 36.5 2.1 321 6 3 -4 37.461 74.922 0.34 3.64 4 23.0 0.8 322 1 3 5 37.473 74.947 0.34 3.63 4 65.4 6.7 323 7 3 -1 37.519 75.038 0.34 3.63 4 46.3 3.4 324 7 3 -2 37.53 75.059 0.341 3.62 4 14.3 0.3 325 0 1 7 37.582 75.163 0.341 3.61 4 22.9 0.8 326 3 1 6 37.636 75.272 0.341 3.61 4 5.4 0.0 327 4 4 0 37.639 75.279 0.341 3.6 4 105.4 17.3 328 8 2 -4 37.676 75.352 0.342 3.6 4 84.0 11.0 329 9 1 0 37.704 75.409 0.342 3.59 4 7.6 0.1 330 5 1 -7 37.725 75.45 0.342 3.59 4 34.2 1.8 331 4 4 -2 37.895 75.79 0.343 3.56 4 60.5 5.6 332 8 1 2 37.899 75.798 0.343 3.56 4 13.2 0.3 333 9 1 -4 38.002 76.004 0.344 3.54 4 27.7 1.2 334 3 4 -3 38.029 76.058 0.344 3.54 4 26.1 1.0 335 1 4 3 38.128 76.256 0.345 3.52 4 0.8 0.0 336 6 2 -6 38.213 76.427 0.346 3.51 4 23.9 0.9 337 5 3 -5 38.262 76.525 0.346 3.5 4 63.1 6.0 338 7 3 0 38.36 76.72 0.347 3.49 4 13.0 0.3 339 5 1 5 38.364 76.728 0.347 3.49 4 24.3 0.9 340 7 3 -3 38.391 76.783 0.347 3.48 4 16.9 0.4 341 4 2 5 38.482 76.964 0.348 3.47 4 28.5 1.2 342 8 2 1 38.527 77.054 0.348 3.46 4 20.1 0.6 343 2 2 6 38.608 77.216 0.349 3.45 4 17.8 0.5 344 3 4 2 38.613 77.226 0.349 3.45 4 23.0 0.8 345 5 3 3 38.687 77.374 0.349 3.44 4 80.0 9.5 346 4 4 1 38.786 77.572 0.35 3.42 4 8.0 0.1 347 8 0 -6 38.819 77.639 0.35 3.42 2 59.3 2.6 348 6 3 2 38.864 77.728 0.351 3.41 4 17.3 0.4 349 1 1 7 39.102 78.204 0.353 3.37 4 96.1 13.5 350 2 3 5 39.15 78.3 0.353 3.37 4 13.6 0.3 351 4 4 -3 39.292 78.584 0.354 3.35 4 10.6 0.2 352 6 1 -7 39.3 78.6 0.354 3.35 4 15.6 0.4 353 4 0 6 39.408 78.816 0.355 3.33 2 112.8 9.2 354 2 2 -7 39.43 78.861 0.355 3.33 4 8.0 0.1 355 2 4 3 39.439 78.878 0.355 3.33 4 39.0 2.2 356 3 2 -7 39.459 78.917 0.355 3.33 4 26.6 1.0 357 5 4 -1 39.482 78.964 0.355 3.32 4 32.1 1.5 358 9 2 -2 39.495 78.99 0.356 3.32 4 2.0 0.0 359 4 3 4 39.509 79.018 0.356 3.32 4 41.3 2.5 360 10 0 -2 39.581 79.162 0.356 3.31 2 50.8 1.8 361 9 1 1 39.746 79.491 0.357 3.29 4 64.9 6.0 362 1 4 -4 39.827 79.654 0.358 3.28 4 7.9 0.1 363 9 2 -1 39.842 79.683 0.358 3.27 4 35.2 1.8 364 2 3 -6 39.843 79.687 0.358 3.27 4 37.3 2.0 365 5 4 -2 39.85 79.699 0.358 3.27 4 0.8 0.0 366 2 4 -4 39.88 79.76 0.358 3.27 4 43.7 2.7 367 1 2 -7 39.913 79.827 0.359 3.27 4 40.8 2.3 368 8 1 -6 39.925 79.85 0.359 3.26 4 22.3 0.7 369 5 4 0 39.955 79.909 0.359 3.26 4 46.8 3.1 370 9 2 -3 39.988 79.976 0.359 3.26 4 38.5 2.1 371 4 2 -7 39.998 79.996 0.359 3.25 4 13.7 0.3 372 7 3 1 40.036 80.071 0.36 3.25 4 59.3 4.9 373 8 2 -5 40.043 80.085 0.36 3.25 4 39.1 2.1 374 3 3 -6 40.05 80.1 0.36 3.25 4 24.2 0.8 375 7 3 -4 40.087 80.174 0.36 3.24 4 17.2 0.4 376 1 3 -6 40.147 80.295 0.36 3.24 4 54.8 4.2 377 7 0 4 40.156 80.311 0.36 3.24 2 6.7 0.0 378 9 1 -5 40.185 80.369 0.361 3.23 4 76.3 8.1 379 6 3 -5 40.187 80.375 0.361 3.23 4 46.9 3.1 380 0 4 4 40.285 80.569 0.361 3.22 4 49.4 3.4 381 7 2 3 40.378 80.756 0.362 3.21 4 23.4 0.8 382 3 4 -4 40.442 80.884 0.363 3.2 4 11.1 0.2 383 7 2 -6 40.471 80.941 0.363 3.2 4 6.4 0.1 384 4 1 6 40.51 81.019 0.363 3.19 4 37.3 1.9 385 6 2 4 40.53 81.061 0.363 3.19 4 56.0 4.3 386 10 1 -2 40.681 81.362 0.364 3.17 4 34.7 1.7 387 4 4 2 40.76 81.519 0.365 3.16 4 66.6 6.1 388 4 3 -6 40.765 81.529 0.365 3.16 4 34.7 1.6 389 3 0 -8 40.807 81.613 0.365 3.16 2 27.2 0.5 390 0 2 7 40.903 81.806 0.366 3.15 4 48.0 3.1 391 2 0 -8 40.956 81.912 0.366 3.14 2 69.3 3.3 392 3 2 6 40.956 81.913 0.366 3.14 4 34.1 1.6 393 0 3 6 40.959 81.917 0.366 3.14 4 13.1 0.2 394 10 1 -3 40.994 81.988 0.367 3.14 4 17.4 0.4 395 8 3 -2 41.018 82.036 0.367 3.14 4 25.5 0.9 396 9 2 0 41.023 82.046 0.367 3.14 4 37.7 1.9 397 5 2 -7 41.043 82.086 0.367 3.13 4 11.0 0.2 398 10 0 -4 41.045 82.09 0.367 3.13 2 7.2 0.0 399 5 4 -3 41.052 82.103 0.367 3.13 4 9.5 0.1 400 2 1 7 41.114 82.227 0.368 3.13 4 10.1 0.1 401 4 0 -8 41.165 82.33 0.368 3.12 2 21.0 0.3 402 8 3 -1 41.185 82.37 0.368 3.12 4 29.3 1.2 403 10 1 -1 41.203 82.405 0.368 3.12 4 39.4 2.1 404 8 2 2 41.213 82.427 0.368 3.12 4 88.3 10.5 405 3 4 3 41.245 82.491 0.369 3.11 4 7.9 0.1 406 1 4 4 41.248 82.497 0.369 3.11 4 26.0 0.9 407 7 1 4 41.252 82.504 0.369 3.11 4 26.6 1.0 408 5 4 1 41.26 82.521 0.369 3.11 4 24.0 0.8 409 3 3 5 41.314 82.627 0.369 3.11 4 86.2 10.0 410 9 2 -4 41.314 82.628 0.369 3.1 4 13.6 0.2 411 7 1 -7 41.365 82.73 0.369 3.1 4 62.3 5.2 412 8 1 3 41.43 82.86 0.37 3.09 4 13.7 0.2 413 10 0 0 41.462 82.925 0.37 3.09 2 53.8 1.9 414 9 0 2 41.5 82.999 0.37 3.09 2 10.4 0.1 415 4 4 -4 41.509 83.018 0.37 3.09 4 98.9 13.0 416 1 0 -8 41.612 83.223 0.371 3.08 2 22.8 0.3 417 5 2 5 41.669 83.337 0.372 3.07 4 29.1 1.1 418 8 3 -3 41.684 83.368 0.372 3.07 4 18.1 0.4 419 3 1 -8 41.9 83.8 0.373 3.05 4 1.3 0.0 420 5 3 -6 41.982 83.965 0.374 3.04 4 10.7 0.2 421 6 3 3 42.022 84.044 0.374 3.04 4 22.2 0.6 422 5 0 -8 42.028 84.056 0.374 3.04 2 23.5 0.4 423 2 1 -8 42.049 84.097 0.374 3.03 4 4.2 0.0 424 6 1 5 42.058 84.117 0.374 3.03 4 34.5 1.6 425 9 0 -6 42.08 84.159 0.375 3.03 2 3.0 0.0 426 6 4 -1 42.099 84.198 0.375 3.03 4 36.9 1.8 427 10 1 -4 42.137 84.274 0.375 3.03 4 5.2 0.0 428 8 3 0 42.183 84.365 0.375 3.02 4 26.1 0.9 429 4 1 -8 42.256 84.513 0.376 3.02 4 40.4 2.1 430 1 3 6 42.272 84.544 0.376 3.01 4 0.1 0.0 431 6 4 -2 42.285 84.571 0.376 3.01 4 98.8 12.7 432 1 2 7 42.393 84.786 0.377 3.0 4 26.8 0.9 433 5 3 4 42.502 85.004 0.378 2.99 4 12.8 0.2 434 7 3 2 42.524 85.048 0.378 2.99 4 35.2 1.6 435 10 1 0 42.553 85.105 0.378 2.99 4 0.0 0.0 436 6 2 -7 42.588 85.175 0.378 2.99 4 11.1 0.2 437 9 1 2 42.59 85.18 0.378 2.99 4 55.0 3.9 438 7 3 -5 42.595 85.191 0.378 2.99 4 75.8 7.4 439 1 1 -8 42.701 85.403 0.379 2.98 4 0.5 0.0 440 2 4 4 42.712 85.424 0.379 2.98 4 72.4 6.8 441 6 4 0 42.742 85.483 0.379 2.97 4 26.1 0.9 442 5 0 6 42.755 85.51 0.379 2.97 2 8.1 0.0 443 0 0 8 42.77 85.54 0.38 2.97 2 30.6 0.6 444 9 2 1 43.026 86.053 0.381 2.95 4 2.9 0.0 445 5 4 -4 43.075 86.15 0.382 2.95 4 48.9 3.0 446 5 1 -8 43.116 86.233 0.382 2.95 4 0.8 0.0 447 9 1 -6 43.168 86.336 0.382 2.94 4 25.6 0.8 448 8 3 -4 43.176 86.352 0.382 2.94 4 14.3 0.3 449 8 2 -6 43.203 86.407 0.383 2.94 4 61.1 4.7 450 2 4 -5 43.27 86.541 0.383 2.93 4 15.6 0.3 451 6 4 -3 43.3 86.6 0.383 2.93 4 2.4 0.0 452 5 4 2 43.386 86.772 0.384 2.93 4 22.7 0.6 453 6 0 -8 43.392 86.784 0.384 2.93 2 115.2 8.4 454 1 4 -5 43.394 86.789 0.384 2.92 4 9.2 0.1 455 9 2 -5 43.459 86.919 0.385 2.92 4 3.9 0.0 456 4 4 3 43.54 87.081 0.385 2.91 4 4.4 0.0 457 3 1 7 43.609 87.218 0.386 2.91 4 40.6 2.1 458 3 4 -5 43.65 87.299 0.386 2.91 4 8.1 0.1 459 6 3 -6 43.698 87.396 0.386 2.9 4 2.3 0.0 460 1 5 0 43.71 87.421 0.386 2.9 4 46.0 2.7 461 4 2 6 43.78 87.561 0.387 2.9 4 126.2 20.0 462 5 1 6 43.841 87.682 0.387 2.89 4 8.1 0.1 463 0 1 8 43.856 87.712 0.387 2.89 4 2.6 0.0 464 0 5 1 43.872 87.744 0.387 2.89 4 14.8 0.3 465 8 1 -7 43.914 87.828 0.388 2.89 4 44.4 2.5 466 1 5 -1 43.948 87.896 0.388 2.89 4 8.1 0.1 467 10 2 -2 43.95 87.9 0.388 2.89 4 87.7 9.6 468 4 3 5 43.959 87.919 0.388 2.89 4 3.8 0.0 469 8 3 1 44.003 88.007 0.388 2.88 4 1.6 0.0 470 0 4 5 44.021 88.042 0.388 2.88 4 48.1 2.9 471 2 3 6 44.082 88.165 0.389 2.88 4 19.5 0.5 472 10 1 -5 44.103 88.205 0.389 2.88 4 11.8 0.2 473 6 4 1 44.209 88.419 0.39 2.87 4 5.3 0.0 474 10 2 -3 44.26 88.52 0.39 2.87 4 8.5 0.1 475 1 5 1 44.299 88.598 0.39 2.87 4 27.5 0.9 476 2 2 7 44.378 88.757 0.391 2.86 4 9.9 0.1 477 1 0 8 44.427 88.854 0.391 2.86 2 13.4 0.1 478 2 5 0 44.464 88.929 0.392 2.86 4 42.0 2.2 479 10 2 -1 44.467 88.933 0.392 2.86 4 10.1 0.1 480 6 1 -8 44.477 88.954 0.392 2.86 4 10.3 0.1 481 7 2 4 44.516 89.032 0.392 2.85 4 10.8 0.1 482 2 5 -1 44.526 89.053 0.392 2.85 4 6.3 0.0 483 4 4 -5 44.531 89.062 0.392 2.85 4 2.6 0.0 484 11 0 -2 44.537 89.075 0.392 2.85 2 51.4 1.6 485 7 2 -7 44.628 89.255 0.393 2.85 4 25.9 0.8 486 8 0 4 44.648 89.297 0.393 2.85 2 5.1 0.0 487 3 4 4 44.672 89.345 0.393 2.85 4 39.3 1.9 488 8 2 3 44.692 89.384 0.393 2.84 4 20.8 0.5 489 10 1 1 44.723 89.446 0.393 2.84 4 40.6 2.0 490 2 3 -7 44.887 89.774 0.394 2.83 4 18.5 0.4 491 3 3 -7 44.915 89.829 0.395 2.83 4 58.7 4.2 492 9 3 -2 44.95 89.901 0.395 2.83 4 6.6 0.1 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 7.61 15.22 6.75444 33.3 4.6 4.7 5.6 2 1 1 0 8.782 17.564 5.8587 14.1 2.0 2.0 5.6 3 0 1 1 9.302 18.605 5.53343 54.8 7.6 7.6 5.6 4 1 0 -2 9.472 18.943 5.43556 92.5 12.9 12.9 5.6 5 1 1 -1 9.537 19.074 5.39858 19.9 2.8 2.8 5.6 6 0 0 2 9.774 19.548 5.26885 38.9 5.4 5.4 5.6 7 1 1 1 10.558 21.117 4.88141 717.3 100.0 100.0 5.6 8 2 0 -2 10.642 21.285 4.84331 387.8 54.1 54.1 5.6 9 1 0 2 11.438 22.877 4.5103 70.1 9.8 9.8 5.6 10 2 1 1 12.893 25.787 4.00853 89.6 12.5 12.4 5.6 11 3 1 -1 13.738 27.476 3.76638 437.5 61.0 60.7 5.6 12 2 0 2 14.01 28.02 3.69479 127.7 17.8 17.7 5.6 13 4 0 0 15.358 30.716 3.37722 43.3 6.0 6.0 5.6 14 3 1 1 15.87 31.739 3.27103 27.8 3.9 3.8 5.6 15 0 2 0 15.97 31.94 3.251 166.1 23.2 23.0 5.6 16 1 1 -3 16.32 32.641 3.18303 104.2 14.5 14.4 5.6 17 2 1 -3 16.737 33.474 3.10601 61.5 8.6 8.5 5.7 18 0 1 3 16.824 33.648 3.09043 16.0 2.2 2.2 5.7 19 1 2 -1 16.871 33.742 3.08205 10.0 1.4 1.4 5.7 20 3 0 2 17.12 34.239 3.03859 34.2 4.8 4.7 5.7 21 4 1 0 17.364 34.729 2.99705 44.1 6.1 6.1 5.7 22 4 1 -2 17.794 35.588 2.92691 34.2 4.8 4.7 5.7 23 3 1 -3 18.017 36.034 2.89192 8.7 1.2 1.2 5.7 24 1 2 -2 18.699 37.397 2.79005 45.6 6.4 6.3 5.7 25 3 1 2 18.961 37.922 2.75282 28.7 4.0 3.9 5.7 26 2 2 1 19.053 38.106 2.74002 8.0 1.1 1.1 5.7 27 1 0 -4 19.132 38.263 2.72918 46.0 6.4 6.3 5.7 28 5 0 -2 19.167 38.334 2.7243 21.6 3.0 3.0 5.7 29 4 1 1 19.234 38.469 2.71516 80.8 11.3 11.1 5.7 30 2 2 -2 19.352 38.704 2.69929 9.4 1.3 1.3 5.7 31 1 2 2 19.826 39.651 2.6373 116.2 16.2 15.9 5.7 32 4 1 -3 20.017 40.033 2.61313 54.6 7.6 7.5 5.7 33 3 0 -4 20.09 40.18 2.60402 13.0 1.8 1.8 5.7 34 4 0 2 20.572 41.143 2.54559 12.6 1.8 1.7 5.7 35 3 2 -2 20.757 41.514 2.52386 12.1 1.7 1.7 5.7 36 5 1 -2 20.854 41.707 2.51266 13.1 1.8 1.8 5.7 37 5 1 0 21.009 42.017 2.49495 15.3 2.1 2.1 5.7 38 3 2 1 21.266 42.532 2.46614 28.3 3.9 3.9 5.7 39 1 0 4 21.297 42.594 2.46273 45.9 6.4 6.3 5.7 40 4 0 -4 21.676 43.352 2.42166 20.3 2.8 2.8 5.7 41 3 1 -4 21.717 43.433 2.41736 22.5 3.1 3.1 5.7 42 0 2 3 22.018 44.035 2.38592 39.0 5.4 5.3 5.7 43 4 2 0 22.451 44.902 2.34215 13.6 1.9 1.9 5.7 44 5 1 -3 22.58 45.16 2.32948 7.9 1.1 1.1 5.7 45 6 0 -2 22.778 45.557 2.31026 51.8 7.2 7.1 5.7 46 5 1 1 22.87 45.74 2.30148 35.8 5.0 4.9 5.7 47 3 2 -3 22.981 45.963 2.29094 8.1 1.1 1.1 5.7 48 2 0 4 23.368 46.735 2.25515 9.5 1.3 1.3 5.7 49 6 0 0 23.408 46.816 2.25148 7.3 1.0 1.0 5.7 50 5 0 -4 23.861 47.722 2.21119 8.3 1.2 1.1 5.7 51 6 1 -2 24.26 48.52 2.17693 26.1 3.6 3.5 5.7 52 1 3 -1 25.018 50.036 2.11504 11.9 1.7 1.6 5.7 53 1 3 1 25.473 50.946 2.07973 27.5 3.8 3.7 5.8 54 1 1 -5 25.704 51.409 2.06226 25.4 3.5 3.4 5.8 55 0 2 4 25.913 51.827 2.04677 11.2 1.6 1.5 5.8 56 3 1 -5 26.029 52.058 2.0383 20.2 2.8 2.7 5.8 57 1 3 -2 26.378 52.757 2.0132 26.8 3.7 3.6 5.8 58 4 2 2 26.505 53.01 2.00427 62.1 8.7 8.4 5.8 59 6 0 -4 26.537 53.074 2.00203 19.1 2.7 2.6 5.8 60 2 3 -2 26.881 53.762 1.97829 7.4 1.0 1.0 5.8 61 3 3 -1 27.119 54.239 1.96219 105.2 14.7 14.2 5.8 62 4 2 -4 27.424 54.848 1.94207 14.7 2.1 2.0 5.8 63 1 1 5 27.885 55.77 1.91246 38.7 5.4 5.2 5.8 64 7 1 -1 27.939 55.877 1.9091 27.7 3.9 3.7 5.8 65 6 0 2 28.206 56.413 1.89244 7.9 1.1 1.1 5.8 66 6 2 -2 28.357 56.715 1.88319 28.9 4.0 3.9 5.8 67 3 3 1 28.397 56.794 1.8808 36.3 5.1 4.9 5.8 68 1 3 -3 28.683 57.366 1.86361 11.7 1.6 1.6 5.8 69 5 1 -5 28.8 57.6 1.85666 22.1 3.1 3.0 5.8 70 2 2 4 28.863 57.726 1.85298 44.0 6.1 5.9 5.8 71 6 2 0 28.898 57.795 1.85094 27.3 3.8 3.7 5.8 72 7 1 -3 28.949 57.897 1.84796 38.4 5.4 5.2 5.8 73 5 1 3 29.288 58.575 1.82844 22.1 3.1 3.0 5.8 74 2 0 -6 29.345 58.69 1.82518 17.3 2.4 2.3 5.8 75 3 0 -6 29.582 59.164 1.81185 20.4 2.8 2.7 5.8 76 3 3 -3 29.805 59.61 1.79953 23.9 3.3 3.2 5.8 77 1 3 3 29.916 59.833 1.79345 11.8 1.6 1.6 5.8 78 4 0 -6 30.397 60.794 1.76774 10.4 1.4 1.4 5.8 79 4 3 1 30.652 61.305 1.75444 10.2 1.4 1.4 5.8 80 7 1 1 30.813 61.626 1.74618 28.7 4.0 3.8 5.8 81 6 2 -4 31.648 63.296 1.70472 30.8 4.3 4.1 5.9 82 8 0 0 31.985 63.971 1.68861 15.2 2.1 2.0 5.9 83 3 1 5 32.231 64.462 1.67712 29.5 4.1 3.9 5.9 84 7 2 0 32.616 65.231 1.65948 12.9 1.8 1.7 5.9 85 8 0 -4 33.077 66.155 1.6389 7.2 1.0 1.0 5.9 86 5 3 -3 33.138 66.276 1.63624 11.6 1.6 1.5 5.9 87 5 3 1 33.363 66.727 1.62645 34.1 4.8 4.5 5.9 88 7 1 -5 33.627 67.255 1.61516 19.0 2.7 2.5 5.9 89 2 2 -6 34.195 68.391 1.59152 15.4 2.2 2.0 5.9 90 7 2 -4 34.453 68.906 1.58107 10.4 1.4 1.4 5.9 91 4 2 -6 35.167 70.333 1.553 14.3 2.0 1.9 5.9 92 0 2 6 35.37 70.741 1.54521 34.3 4.8 4.5 5.9 93 2 4 -2 35.481 70.962 1.54103 13.5 1.9 1.8 5.9 94 1 3 -5 35.639 71.279 1.53508 10.0 1.4 1.3 5.9 95 1 4 2 35.797 71.594 1.52922 16.7 2.3 2.2 5.9 96 3 1 -7 36.098 72.195 1.51819 23.3 3.3 3.1 5.9 97 6 3 1 36.495 72.99 1.50392 7.5 1.0 1.0 6.0 98 9 1 -3 36.643 73.285 1.4987 41.9 5.8 5.5 6.0 99 2 4 2 36.953 73.907 1.48788 8.1 1.1 1.1 6.0 100 4 4 0 37.639 75.279 1.46467 17.3 2.4 2.3 6.0 101 8 2 -4 37.676 75.352 1.46345 11.1 1.5 1.4 6.0 102 5 3 3 38.687 77.374 1.43099 9.5 1.3 1.2 6.0 103 1 1 7 39.102 78.204 1.41819 13.5 1.9 1.7 6.0 104 4 0 6 39.408 78.816 1.40895 9.2 1.3 1.2 6.0 105 7 3 1 40.036 80.071 1.39051 7.9 1.1 1.0 6.0 106 9 1 -5 40.185 80.369 1.38621 11.2 1.6 1.4 6.0 107 4 4 2 40.76 81.519 1.37001 7.7 1.1 1.0 6.1 108 8 2 2 41.213 82.427 1.35758 13.7 1.9 1.8 6.1 109 3 3 5 41.314 82.627 1.35487 10.2 1.4 1.3 6.1 110 4 4 -4 41.509 83.018 1.34965 13.0 1.8 1.7 6.1 111 6 4 -2 42.285 84.571 1.32941 14.8 2.1 1.9 6.1 112 7 3 -5 42.595 85.191 1.32157 11.3 1.6 1.4 6.1 113 2 4 4 42.712 85.424 1.31865 7.6 1.1 1.0 6.1 114 6 0 -8 43.392 86.784 1.30201 8.5 1.2 1.1 6.1 115 4 2 6 43.78 87.561 1.29276 20.0 2.8 2.5 6.2 116 10 2 -2 43.95 87.9 1.28879 9.6 1.3 1.2 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) |