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 *** *********************** JAMESITE 1 Pb(2)ZnFe(2)[Fe(2.8)Zn(1.2)][AsO(4)](4)(OH)(8)[(OH)(1.2)O(0.8) Triclinic P 1(-) Z = 1 R =0.049 NR =1609 25 .9 .1901 Ref.Str.: M.A. Cooper, F.C.Hawthorne (1999) * Canad. Mineral., 37, 53-60 Reserv: There are U(ij) in the article. D.T.N. Initial data from BDM-file Lattice parameters (cub. angs.,degr.): a = 5.583 alpha = 109.81 b = 9.542 beta = 90.57 c = 10.219 gamma = 97.71 Unit cell volume (cub. angs.) = 506.65 Molar volume ( cub.cm/mol.) = 305.18 Co-ordinates, thermal parameters, occupation for atomic positions: NoP x/a y/b z/c B(j) atom / occupation 1 0.0601 0.7276 0.4179 0.0 Pb = 1.00 2 0.147 0.754 0.3952 0.0 Pb = 1.00 3 0.2083 0.6789 0.7648 0.0 As = 1.00 4 0.3103 0.0633 0.7214 0.0 As = 1.00 5 0.0 0.5 0.0 0.0 Zn = 1.00 6 0.5 0.0 0.0 0.0 Fe = 1.00 7 0.5 0.5 0.5 0.0 Fe = 1.00 8 0.236 0.1255 0.2787 0.0 Fe = 0.7 , Zn = 0.3 9 0.4902 0.4242 0.8375 0.0 Fe = 0.7 , Zn = 0.3 10 0.464 0.805 0.831 0.0 O = 1.00 11 0.19 0.534 0.827 0.0 O = 1.00 12 0.957 0.758 0.808 0.0 O = 1.00 13 0.221 0.608 0.591 0.0 O = 1.00 14 0.312 0.235 0.702 0.0 O = 1.00 15 0.05 0.957 0.637 0.0 O = 1.00 16 0.545 0.983 0.644 0.0 O = 1.00 17 0.301 0.091 0.892 0.0 O = 1.00 18 0.216 0.674 0.143 0.0 OH = 1.00 19 0.37 0.511 0.316 0.0 OH = 1.00 20 0.311 0.399 0.006 0.0 OH = 1.00 21 0.211 0.949 0.095 0.0 OH = 1.00 22 0.299 0.301 0.454 0.0 OH = 1.00 Co-ordinates for all atomic positions : No NoP x/a y/b z/c 1 1 0.0601 0.7276 0.4179 2 2 0.147 0.754 0.3952 3 3 0.2083 0.6789 0.7648 4 4 0.3103 0.0633 0.7214 5 5 0.0 0.5 0.0 6 6 0.5 0.0 0.0 7 7 0.5 0.5 0.5 8 8 0.236 0.1255 0.2787 9 9 0.4902 0.4242 0.8375 10 10 0.464 0.805 0.831 11 11 0.19 0.534 0.827 12 12 0.957 0.758 0.808 13 13 0.221 0.608 0.591 14 14 0.312 0.235 0.702 15 15 0.05 0.957 0.637 16 16 0.545 0.983 0.644 17 17 0.301 0.091 0.892 18 18 0.216 0.674 0.143 19 19 0.37 0.511 0.316 20 20 0.311 0.399 0.006 21 21 0.211 0.949 0.095 22 22 0.299 0.301 0.454 23 1 0.9399 0.2724 0.5821 24 2 0.853 0.246 0.6048 25 3 0.7917 0.3211 0.2352 26 4 0.6897 0.9367 0.2786 27 8 0.764 0.8745 0.7213 28 9 0.5098 0.5758 0.1625 29 10 0.536 0.195 0.169 30 11 0.81 0.466 0.173 31 12 0.043 0.242 0.192 32 13 0.779 0.392 0.409 33 14 0.688 0.765 0.298 34 15 0.95 0.043 0.363 35 16 0.455 0.017 0.356 36 17 0.699 0.909 0.108 37 18 0.784 0.326 0.857 38 19 0.63 0.489 0.684 39 20 0.689 0.601 0.994 40 21 0.789 0.051 0.905 41 22 0.701 0.699 0.546 X-ray density (g/cm cub.) = 6.44 MU (1/cm) = 1103.877 Mass attenuation coefficient (cm**2/g) = 171.333 Selected interatomic distances (cation-anion,anion-anion): NoP Atom Rad.sph. C.N. Distance NoP N. (angs.) (angs.) 1 Pb 3.192 7 2.6173 13 2.5537 15 2.8469 18 2.8082 19 3.0339 11 2.5276 14 2.4403 22 2 Pb 3.192 8 2.8535 13 2.6861 15 2.4776 18 2.6654 19 3.1884 14 2.7671 14 2.9921 16 3.0206 22 3 As 2.508 4 1.7063 10 1.6986 11 1.6744 12 1.6787 13 4 As 2.508 4 1.7145 14 1.6945 15 1.676 16 1.6748 17 5 Zn 2.676 6 2.1656 11 2.0321 18 2.1058 20 2.1656 11 2.0321 18 2.1058 20 6 Fe 2.64 6 2.0493 10 2.0225 17 1.9807 21 2.0493 10 2.0225 17 1.9807 21 7 Fe 2.64 6 2.0404 13 2.0495 19 1.9745 22 2.0404 13 2.0495 19 1.9745 22 8 Fe ,Zn 2.676 6 2.0417 21 1.9832 22 2.1783 10 2.0376 12 2.0152 15 2.0163 16 9 Fe ,Zn 2.676 6 2.1124 11 1.9906 14 2.0674 20 2.0349 18 2.0011 19 2.0662 20 10 O 3.312 12 2.8097 11 2.8469 12 2.8006 12 2.7411 13 2.9584 16 2.8616 17 3.0406 21 2.8968 17 3.1488 19 3.3097 20 2.6459 21 3.1137 22 11 O 3.312 9 2.8097 10 2.7057 12 2.734 13 2.8817 14 3.0411 18 2.6959 20 2.8966 18 2.8781 19 3.1258 20 12 O 3.312 10 2.8006 10 2.8469 10 2.7057 11 2.7601 13 2.9885 15 3.0879 21 2.8318 19 3.0791 20 2.9193 21 2.8661 22 13 O 3.312 9 2.7411 10 2.734 11 2.7601 12 2.8171 19 2.8819 22 3.1213 13 2.9649 19 2.796 22 3.2116 22 14 O 3.312 8 2.8817 11 2.7134 15 2.7774 16 2.7294 17 2.9677 20 2.8134 22 2.9288 18 2.866 19 15 O 3.312 8 2.9885 12 2.7134 14 2.7394 16 2.8628 16 2.7527 17 3.2364 15 3.0321 21 2.8013 22 16 O 3.312 8 2.9584 10 2.7774 14 2.8628 15 2.7394 15 2.8312 17 3.1114 16 2.8121 21 2.8136 22 17 O 3.312 9 2.8616 10 2.7294 14 2.7527 15 2.8312 16 2.7625 20 2.8522 21 2.8968 10 2.8093 21 2.8432 21 18 OH 3.36 9 3.0411 11 2.9114 19 2.6505 20 2.8318 21 2.8966 11 2.9288 14 3.3424 16 3.1035 20 3.1784 20 19 OH 3.36 11 2.8171 13 2.9114 18 2.9793 20 2.8062 22 3.1488 10 2.8781 11 3.3494 11 2.8318 12 2.9649 13 2.866 14 2.8851 22 20 OH 3.36 12 2.6959 11 2.9677 14 2.7625 17 2.6505 18 2.9793 19 3.3097 10 3.1258 11 3.3136 11 3.0791 12 3.1035 18 3.1784 18 2.694 20 21 OH 3.36 10 3.0406 10 3.0879 12 2.8522 17 2.8318 18 2.6459 10 2.9193 12 3.0321 15 2.8121 16 2.8093 17 2.8432 17 22 OH 3.36 10 2.8819 13 2.8134 14 2.8062 19 3.1137 10 2.8661 12 2.796 13 3.2116 13 2.8013 15 2.8136 16 2.8851 19 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 0 0 1 5.348 10.695 0.052 227.28 2 214.0 8108.2 2 0 1 0 5.78 11.561 0.056 194.19 2 27.6 115.4 3 0 -1 1 6.389 12.779 0.062 158.53 2 121.8 1831.8 4 0 1 1 9.148 18.296 0.089 76.2 2 111.4 736.4 5 1 0 0 9.321 18.641 0.091 73.32 2 151.6 1313.4 6 -1 1 0 10.24 20.481 0.099 60.37 2 187.6 1654.8 7 0 -1 2 10.304 20.609 0.1 59.6 2 175.0 1422.3 8 -1 0 1 10.486 20.972 0.102 57.47 2 160.5 1153.2 9 0 0 2 10.743 21.485 0.104 54.66 2 8.3 2.9 10 1 -1 1 10.882 21.764 0.106 53.22 2 4.6 0.9 11 0 -2 1 10.994 21.988 0.107 52.09 2 288.6 3379.5 12 1 0 1 11.046 22.093 0.107 51.58 2 216.6 1886.3 13 0 2 0 11.621 23.242 0.113 46.4 2 175.3 1111.0 14 1 1 0 11.703 23.406 0.113 45.72 2 136.3 661.5 15 -1 -1 1 11.767 23.534 0.114 45.21 2 227.3 1820.2 16 -1 1 1 12.239 24.479 0.119 41.63 2 167.2 906.2 17 0 -2 2 12.86 25.72 0.124 37.51 2 49.8 72.5 18 1 -2 1 13.545 27.091 0.131 33.61 2 266.7 1862.9 19 1 -1 2 13.818 27.637 0.134 32.22 2 115.0 331.9 20 -1 2 0 13.846 27.691 0.134 32.08 2 146.5 536.7 21 -1 0 2 13.86 27.721 0.134 32.01 2 68.4 116.6 22 0 1 2 13.909 27.818 0.134 31.78 2 324.2 2602.3 23 1 1 1 13.944 27.889 0.135 31.6 2 93.0 212.7 24 -1 -1 2 14.107 28.214 0.136 30.83 2 261.5 1642.7 25 0 2 1 14.437 28.873 0.139 29.35 2 264.9 1604.8 26 1 0 2 14.72 29.44 0.142 28.16 2 260.6 1490.5 27 0 -1 3 15.227 30.454 0.147 26.19 2 216.9 959.7 28 1 -2 2 15.321 30.642 0.148 25.84 2 434.1 3794.6 29 -1 -2 1 15.38 30.761 0.148 25.63 2 113.1 255.6 30 -1 1 2 15.965 31.93 0.154 23.65 2 270.7 1350.4 31 1 2 0 16.04 32.08 0.154 23.41 2 434.4 3443.1 32 -1 2 1 16.116 32.232 0.155 23.18 2 84.0 127.3 33 0 0 3 16.236 32.472 0.156 22.81 2 65.4 76.0 34 0 -2 3 16.438 32.876 0.158 22.2 2 66.0 75.3 35 0 -3 1 16.498 32.996 0.159 22.03 2 46.4 36.9 36 -1 -2 2 16.61 33.221 0.16 21.71 2 147.7 369.1 37 0 -3 2 17.192 34.384 0.165 20.14 2 341.1 1826.4 38 0 3 0 17.587 35.174 0.169 19.17 2 77.7 90.2 39 1 1 2 17.693 35.387 0.17 18.92 2 204.1 613.8 40 1 -3 1 17.89 35.779 0.172 18.47 2 31.6 14.4 41 -1 -1 3 17.913 35.825 0.172 18.41 2 349.6 1753.3 42 1 -1 3 18.033 36.065 0.173 18.15 2 316.4 1415.6 43 -1 0 3 18.341 36.683 0.176 17.48 2 291.0 1153.1 44 1 2 1 18.408 36.816 0.177 17.34 2 323.9 1417.3 45 0 2 2 18.54 37.08 0.178 17.07 2 41.1 22.5 46 1 -2 3 18.639 37.279 0.179 16.87 2 215.8 612.3 47 1 -3 2 18.708 37.416 0.179 16.74 2 225.0 660.1 48 -1 3 0 18.74 37.48 0.18 16.67 2 272.2 962.3 49 2 0 0 18.9 37.8 0.181 16.36 2 7.9 0.8 50 -2 1 0 18.957 37.913 0.182 16.26 2 381.6 1844.8 51 0 1 3 19.154 38.308 0.183 15.89 2 432.5 2315.3 52 1 0 3 19.35 38.701 0.185 15.53 2 149.7 271.3 53 -2 0 1 19.372 38.743 0.185 15.5 2 130.8 206.7 54 -1 -2 3 19.412 38.824 0.186 15.42 2 147.5 261.3 55 2 -1 1 19.494 38.987 0.187 15.28 2 68.7 56.2 56 0 -3 3 19.503 39.005 0.187 15.27 2 283.4 955.2 57 -1 2 2 19.752 39.504 0.189 14.84 2 37.9 16.6 58 -2 1 1 20.008 40.017 0.191 14.42 2 319.8 1148.9 59 2 0 1 20.02 40.039 0.191 14.4 2 166.8 312.2 60 0 3 1 20.208 40.416 0.193 14.11 2 118.5 154.4 61 -1 -3 1 20.214 40.428 0.193 14.1 2 107.1 125.9 62 -2 -1 1 20.553 41.107 0.196 13.58 2 196.4 408.3 63 0 -1 4 20.56 41.121 0.196 13.57 2 155.9 257.0 64 -1 1 3 20.595 41.19 0.197 13.52 2 145.3 222.5 65 -1 -3 2 20.645 41.291 0.197 13.45 2 126.9 168.8 66 2 1 0 20.671 41.341 0.197 13.41 2 200.3 419.2 67 2 -2 1 20.774 41.549 0.198 13.26 2 267.2 737.7 68 -2 2 0 20.828 41.655 0.199 13.19 2 63.3 41.1 69 0 -2 4 20.962 41.924 0.2 13.0 2 158.1 253.1 70 1 -3 3 21.029 42.057 0.201 12.91 2 75.5 57.4 71 -1 3 1 21.087 42.175 0.201 12.83 2 442.3 1955.4 72 1 3 0 21.29 42.58 0.203 12.55 2 178.5 311.6 73 -2 0 2 21.346 42.691 0.203 12.48 2 7.1 0.5 74 2 -1 2 21.52 43.04 0.205 12.26 2 15.5 2.3 75 0 0 4 21.888 43.777 0.208 11.8 2 72.4 48.1 76 -2 -1 2 21.913 43.827 0.209 11.77 2 150.8 208.5 77 1 2 2 22.011 44.022 0.21 11.65 2 21.4 4.2 78 2 -2 2 22.183 44.367 0.211 11.45 2 175.2 273.8 79 2 1 1 22.246 44.492 0.212 11.37 2 174.3 269.2 80 1 1 3 22.304 44.609 0.212 11.31 2 138.1 168.1 81 -2 2 1 22.335 44.669 0.212 11.27 2 153.3 206.4 82 0 -4 1 22.399 44.799 0.213 11.2 2 217.4 412.2 83 0 -4 2 22.422 44.843 0.213 11.17 2 219.4 419.1 84 -2 1 2 22.463 44.926 0.214 11.13 2 89.1 68.8 85 -1 -3 3 22.513 45.027 0.214 11.07 2 145.0 181.4 86 2 0 2 22.532 45.065 0.214 11.05 2 360.2 1117.1 87 -1 -1 4 22.558 45.116 0.214 11.02 2 73.4 46.3 88 1 -2 4 22.935 45.87 0.218 10.62 2 83.5 57.7 89 1 -1 4 22.945 45.889 0.218 10.61 2 263.0 571.7 90 0 -3 4 23.02 46.04 0.219 10.53 2 157.6 203.7 91 1 -4 1 23.118 46.236 0.219 10.43 2 220.1 393.5 92 1 -4 2 23.282 46.563 0.221 10.26 2 206.3 340.4 93 -1 -2 4 23.31 46.619 0.221 10.23 2 169.4 228.7 94 -2 -2 1 23.326 46.651 0.221 10.22 2 38.9 12.1 95 0 2 3 23.377 46.753 0.222 10.17 2 31.5 7.9 96 -1 0 4 23.424 46.848 0.222 10.12 2 200.1 315.8 97 2 -3 1 23.62 47.241 0.224 9.93 2 243.3 457.9 98 1 3 1 23.707 47.414 0.225 9.85 2 68.3 35.8 99 0 4 0 23.758 47.515 0.225 9.8 2 274.5 575.6 100 0 -4 3 23.822 47.643 0.226 9.74 2 1.4 0.0 101 2 2 0 23.934 47.868 0.227 9.64 2 7.4 0.4 102 0 3 2 23.945 47.889 0.227 9.63 2 303.9 692.8 103 -2 -2 2 24.071 48.142 0.228 9.52 2 218.8 354.8 104 -2 3 0 24.167 48.334 0.229 9.43 2 134.7 133.4 105 -1 2 3 24.254 48.507 0.23 9.35 2 170.3 211.3 106 -1 4 0 24.309 48.617 0.23 9.31 2 159.7 184.8 107 2 -3 2 24.415 48.83 0.231 9.21 2 46.6 15.6 108 1 -3 4 24.504 49.008 0.232 9.14 2 207.9 307.8 109 -2 0 3 24.527 49.055 0.232 9.12 2 142.6 144.4 110 1 0 4 24.532 49.063 0.232 9.11 2 49.6 17.5 111 -2 -1 3 24.554 49.107 0.232 9.1 2 4.9 0.2 112 -1 3 2 24.582 49.164 0.233 9.07 2 146.9 152.5 113 0 1 4 24.722 49.444 0.234 8.96 2 133.5 124.3 114 2 -1 3 24.739 49.478 0.234 8.94 2 5.4 0.2 115 1 -4 3 24.779 49.558 0.234 8.91 2 223.0 345.3 116 2 -2 3 24.856 49.712 0.235 8.85 2 260.3 467.0 117 2 1 2 25.061 50.122 0.237 8.68 2 14.0 1.3 118 -2 2 2 25.087 50.174 0.237 8.66 2 222.5 334.2 119 -1 -3 4 25.569 51.139 0.241 8.29 2 203.4 267.3 120 -1 -4 2 25.637 51.274 0.242 8.24 2 48.8 15.3 121 -1 -4 1 25.748 51.497 0.243 8.16 2 53.7 18.4 122 -1 1 4 25.783 51.566 0.243 8.14 2 79.1 39.6 123 2 2 1 25.823 51.646 0.243 8.11 2 98.1 60.9 124 -2 3 1 25.991 51.981 0.245 7.99 2 224.9 314.8 125 -2 1 3 26.008 52.016 0.245 7.98 2 55.0 18.8 126 0 -2 5 26.08 52.16 0.246 7.93 2 319.4 630.2 127 -2 -2 3 26.083 52.166 0.246 7.93 2 137.3 116.4 128 2 0 3 26.123 52.246 0.246 7.9 2 240.8 356.8 129 0 -1 5 26.21 52.42 0.247 7.84 2 81.5 40.5 130 0 4 1 26.333 52.667 0.248 7.76 2 179.7 195.2 131 0 -4 4 26.432 52.864 0.249 7.69 2 154.4 142.9 132 2 -3 3 26.46 52.919 0.249 7.67 2 129.6 100.4 133 1 2 3 26.463 52.927 0.249 7.67 2 120.5 86.7 134 -1 4 1 26.718 53.435 0.251 7.5 2 36.6 7.8 135 -1 -4 3 26.783 53.566 0.252 7.46 2 81.6 38.7 136 1 4 0 27.106 54.213 0.255 7.26 2 188.3 200.6 137 1 3 2 27.193 54.387 0.255 7.21 2 127.6 91.5 138 -2 -3 1 27.317 54.633 0.257 7.13 2 132.8 98.1 139 0 -3 5 27.398 54.797 0.257 7.09 2 131.2 95.1 140 1 -4 4 27.449 54.897 0.258 7.06 2 62.4 21.4 141 1 1 4 27.491 54.982 0.258 7.03 2 281.7 434.8 142 -2 -3 2 27.536 55.072 0.258 7.01 2 163.2 145.4 143 2 -4 1 27.664 55.328 0.26 6.93 2 78.5 33.3 144 -1 -1 5 27.771 55.542 0.26 6.87 2 106.1 60.3 145 0 0 5 27.775 55.55 0.26 6.87 2 233.1 290.8 146 1 -2 5 27.898 55.797 0.262 6.8 2 141.9 106.7 147 2 -4 2 27.932 55.865 0.262 6.78 2 331.3 580.2 148 -1 -2 5 27.977 55.953 0.262 6.76 2 65.2 22.4 149 -2 -1 4 28.21 56.419 0.264 6.63 2 35.3 6.5 150 0 -5 2 28.24 56.48 0.264 6.62 2 214.3 236.7 151 2 3 0 28.305 56.61 0.265 6.58 2 181.3 168.5 152 1 -1 5 28.351 56.702 0.265 6.56 2 313.4 501.7 153 0 3 3 28.487 56.973 0.267 6.49 2 246.0 305.9 154 2 -2 4 28.535 57.069 0.267 6.46 2 143.7 104.0 155 -2 4 0 28.595 57.19 0.268 6.43 2 56.1 15.8 156 -2 0 4 28.627 57.255 0.268 6.42 2 177.4 157.3 157 1 -5 2 28.648 57.297 0.268 6.4 2 2.0 0.0 158 0 -5 1 28.662 57.324 0.268 6.4 2 145.2 105.0 159 0 2 4 28.735 57.469 0.269 6.36 2 223.7 248.1 160 -3 1 0 28.788 57.576 0.269 6.33 2 116.8 67.3 161 2 2 2 28.813 57.627 0.269 6.32 2 211.8 220.9 162 -2 2 3 28.829 57.657 0.27 6.31 2 252.2 313.0 163 1 -3 5 28.838 57.677 0.27 6.31 2 154.0 116.6 164 2 1 3 28.854 57.708 0.27 6.3 2 142.1 99.1 165 2 -1 4 28.867 57.734 0.27 6.3 2 148.5 108.2 166 -2 3 2 28.919 57.839 0.27 6.27 2 158.0 122.0 167 -1 3 3 28.931 57.863 0.27 6.26 2 78.4 30.0 168 -2 -3 3 28.945 57.89 0.271 6.26 2 110.2 59.2 169 1 -5 1 28.946 57.891 0.271 6.26 2 32.9 5.3 170 -1 0 5 28.958 57.915 0.271 6.25 2 189.0 173.9 171 0 -5 3 29.003 58.006 0.271 6.23 2 126.4 77.6 172 3 0 0 29.07 58.14 0.272 6.2 2 103.7 52.0 173 -1 -4 4 29.083 58.167 0.272 6.19 2 159.4 122.5 174 -2 -2 4 29.175 58.349 0.272 6.15 2 116.8 65.3 175 -3 0 1 29.292 58.585 0.273 6.09 2 138.4 91.0 176 3 -1 1 29.303 58.606 0.274 6.09 2 150.4 107.3 177 -1 2 4 29.377 58.753 0.274 6.05 2 239.6 270.8 178 2 -4 3 29.378 58.757 0.274 6.05 2 165.2 128.7 179 -3 1 1 29.445 58.891 0.275 6.02 2 79.8 29.9 180 1 -5 3 29.525 59.05 0.275 5.98 2 171.3 136.9 181 -1 -3 5 29.556 59.113 0.276 5.97 2 151.7 107.1 182 2 -3 4 29.574 59.147 0.276 5.96 2 210.9 206.7 183 1 4 1 29.593 59.186 0.276 5.95 2 120.5 67.3 184 -3 2 0 29.87 59.74 0.278 5.83 2 3.3 0.0 185 0 4 2 29.908 59.817 0.279 5.81 2 111.1 55.9 186 3 -2 1 29.948 59.896 0.279 5.8 2 2.2 0.0 187 3 0 1 30.01 60.019 0.28 5.77 2 71.8 23.2 188 0 -4 5 30.035 60.071 0.28 5.76 2 203.1 185.2 189 -1 4 2 30.144 60.288 0.281 5.71 2 83.4 30.9 190 1 0 5 30.156 60.311 0.281 5.71 2 239.3 254.7 191 0 5 0 30.238 60.475 0.282 5.67 2 136.3 82.2 192 -2 1 4 30.391 60.782 0.283 5.61 2 41.3 7.5 193 -1 5 0 30.394 60.789 0.283 5.61 2 218.1 207.8 194 2 3 1 30.425 60.85 0.283 5.6 2 143.5 89.7 195 -3 -1 1 30.486 60.973 0.284 5.57 2 215.5 201.5 196 2 0 4 30.543 61.087 0.284 5.55 2 34.5 5.1 197 0 1 5 30.626 61.253 0.285 5.51 2 108.9 50.9 198 -2 4 1 30.654 61.309 0.285 5.5 2 96.5 39.9 199 -3 0 2 30.661 61.322 0.285 5.5 2 142.4 86.8 200 3 1 0 30.692 61.384 0.285 5.49 2 201.8 174.1 201 0 -5 4 30.896 61.791 0.287 5.41 2 27.7 3.2 202 -3 2 1 30.933 61.866 0.287 5.39 2 108.4 49.4 203 3 -1 2 30.952 61.905 0.288 5.39 2 235.7 233.1 204 1 -4 5 31.091 62.181 0.289 5.33 2 156.3 101.5 205 3 -2 2 31.162 62.324 0.289 5.31 2 107.4 47.7 206 -3 1 2 31.228 62.456 0.29 5.28 2 93.0 35.6 207 -1 -5 2 31.331 62.661 0.291 5.24 2 259.7 275.5 208 -3 -1 2 31.411 62.821 0.291 5.21 2 40.8 6.8 209 -1 1 5 31.437 62.873 0.292 5.2 2 193.6 152.0 210 -2 -3 4 31.442 62.884 0.292 5.2 2 61.1 15.1 211 1 -5 4 31.514 63.028 0.292 5.18 2 245.3 242.6 212 1 3 3 31.526 63.052 0.292 5.17 2 416.7 699.6 213 1 2 4 31.568 63.137 0.293 5.16 2 67.3 18.2 214 0 -2 6 31.687 63.375 0.294 5.11 2 267.3 284.6 215 -1 -5 1 31.842 63.684 0.295 5.06 2 160.8 102.0 216 3 -3 1 31.896 63.792 0.295 5.04 2 338.6 450.3 217 2 -4 4 31.901 63.803 0.295 5.04 2 254.7 254.8 218 -1 -5 3 31.934 63.868 0.296 5.03 2 191.7 144.1 219 3 1 1 32.015 64.029 0.296 5.0 2 149.6 87.2 220 -2 -4 2 32.036 64.072 0.297 4.99 2 80.8 25.4 221 3 0 2 32.049 64.099 0.297 4.99 2 156.5 95.3 222 0 -1 6 32.213 64.427 0.298 4.93 2 110.6 47.0 223 -3 3 0 32.231 64.463 0.298 4.93 2 109.7 46.2 224 -2 -4 1 32.247 64.494 0.298 4.92 2 41.0 6.4 225 -1 -4 5 32.385 64.77 0.299 4.88 2 259.7 256.4 226 0 -3 6 32.454 64.909 0.3 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51.8 289 3 0 3 35.086 70.172 0.321 4.12 2 66.3 14.1 290 3 2 1 35.197 70.395 0.322 4.1 2 97.3 30.2 291 1 -6 1 35.342 70.683 0.323 4.06 2 245.4 190.7 292 3 -4 2 35.371 70.742 0.324 4.06 2 53.2 9.0 293 0 -6 1 35.377 70.755 0.324 4.06 2 131.7 54.8 294 2 -5 4 35.38 70.761 0.324 4.06 2 244.4 188.7 295 2 -4 5 35.381 70.761 0.324 4.06 2 74.2 17.4 296 -2 1 5 35.485 70.97 0.324 4.03 2 14.3 0.6 297 1 -4 6 35.561 71.122 0.325 4.01 2 203.2 129.1 298 2 0 5 35.67 71.34 0.326 3.99 2 99.0 30.5 299 -3 4 0 35.738 71.476 0.326 3.98 2 93.8 27.2 300 2 4 1 35.876 71.753 0.328 3.95 2 169.9 88.8 301 1 5 1 36.054 72.108 0.329 3.91 2 81.9 20.4 302 -3 3 2 36.097 72.194 0.329 3.9 2 40.3 4.9 303 -2 5 1 36.161 72.321 0.33 3.89 2 162.4 79.9 304 -3 2 3 36.195 72.391 0.33 3.88 2 60.3 11.0 305 0 -6 4 36.239 72.477 0.33 3.87 2 100.4 30.4 306 1 0 6 36.253 72.506 0.331 3.87 2 261.2 205.5 307 -1 -5 5 36.314 72.627 0.331 3.85 2 68.0 13.9 308 -1 5 2 36.367 72.735 0.331 3.84 2 239.4 171.6 309 -3 -1 4 36.403 72.805 0.332 3.84 2 117.1 41.0 310 0 5 2 36.44 72.879 0.332 3.83 2 184.4 101.4 311 -3 0 4 36.483 72.965 0.332 3.82 2 31.6 3.0 312 1 -6 4 36.526 73.052 0.333 3.81 2 50.6 7.6 313 -3 -3 1 36.527 73.054 0.333 3.81 2 54.4 8.8 314 -1 -4 6 36.562 73.123 0.333 3.8 2 57.9 9.9 315 1 3 4 36.592 73.183 0.333 3.8 2 176.3 92.0 316 -3 -3 2 36.607 73.214 0.333 3.8 2 36.2 3.9 317 3 -2 4 36.689 73.379 0.334 3.78 2 237.9 166.7 318 3 -4 3 36.758 73.515 0.335 3.77 2 105.4 32.6 319 0 1 6 36.961 73.921 0.336 3.73 2 20.4 1.2 320 -1 6 0 37.037 74.074 0.337 3.71 2 89.1 23.0 321 0 6 0 37.179 74.358 0.338 3.69 2 174.2 87.2 322 3 -1 4 37.265 74.531 0.338 3.67 2 29.0 2.4 323 1 2 5 37.283 74.566 0.339 3.67 2 155.9 69.5 324 3 -3 4 37.323 74.646 0.339 3.66 2 161.8 74.6 325 1 4 3 37.377 74.755 0.339 3.65 2 86.7 21.4 326 -2 -5 2 37.425 74.85 0.34 3.64 2 70.7 14.2 327 2 2 4 37.434 74.868 0.34 3.64 2 10.7 0.3 328 -2 3 4 37.44 74.88 0.34 3.64 2 192.8 105.4 329 -3 4 1 37.479 74.958 0.34 3.63 2 323.6 296.4 330 3 3 0 37.483 74.965 0.34 3.63 2 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131.0 372 -2 -5 4 39.344 78.687 0.354 3.34 2 23.4 1.4 373 -2 5 2 39.399 78.797 0.355 3.33 2 109.7 31.3 374 1 1 6 39.424 78.847 0.355 3.33 2 78.7 16.1 375 3 3 1 39.448 78.896 0.355 3.33 2 25.8 1.7 376 -1 4 4 39.488 78.977 0.355 3.32 2 302.7 237.0 377 0 4 4 39.49 78.98 0.355 3.32 2 121.5 38.2 378 -3 3 3 39.494 78.988 0.356 3.32 2 44.4 5.1 379 0 3 5 39.532 79.064 0.356 3.32 2 23.8 1.5 380 1 -2 7 39.536 79.071 0.356 3.31 2 164.7 70.1 381 1 -3 7 39.584 79.168 0.356 3.31 2 63.6 10.4 382 2 5 0 39.595 79.189 0.356 3.31 2 229.0 135.1 383 1 5 2 39.609 79.219 0.356 3.31 2 143.4 52.9 384 0 -4 7 39.666 79.331 0.357 3.3 2 95.3 23.4 385 -1 3 5 39.704 79.408 0.357 3.29 2 7.9 0.2 386 -1 6 1 39.72 79.44 0.357 3.29 2 69.2 12.3 387 2 -4 6 39.734 79.467 0.357 3.29 2 92.7 22.0 388 -1 -1 7 39.762 79.523 0.358 3.29 2 35.1 3.2 389 -1 -3 7 39.788 79.575 0.358 3.28 2 158.7 64.4 390 -3 -3 4 39.838 79.676 0.358 3.28 2 24.3 1.5 391 -4 1 0 39.859 79.719 0.358 3.27 2 0.7 0.0 392 2 -6 4 39.903 79.805 0.359 3.27 2 97.6 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43.234 86.467 0.383 2.94 2 189.3 82.0 477 -3 -4 4 43.276 86.551 0.383 2.93 2 12.5 0.4 478 4 1 1 43.35 86.701 0.384 2.93 2 52.2 6.2 479 -1 6 2 43.355 86.71 0.384 2.93 2 67.4 10.4 480 2 4 3 43.376 86.753 0.384 2.93 2 104.4 24.9 481 -4 3 1 43.544 87.089 0.385 2.91 2 67.3 10.3 482 -2 -2 7 43.557 87.115 0.385 2.91 2 15.1 0.5 483 -2 5 3 43.563 87.126 0.385 2.91 2 39.5 3.5 484 -4 0 3 43.644 87.287 0.386 2.91 2 6.3 0.1 485 1 2 6 43.691 87.383 0.386 2.9 2 239.4 129.7 486 0 6 2 43.698 87.396 0.386 2.9 2 20.9 1.0 487 -2 -6 2 43.714 87.427 0.386 2.9 2 109.2 27.0 488 -2 -6 3 43.78 87.561 0.387 2.9 2 40.7 3.7 489 -3 3 4 43.811 87.621 0.387 2.9 2 163.9 60.7 490 -2 -1 7 43.853 87.706 0.387 2.89 2 35.0 2.8 491 3 0 5 43.862 87.724 0.387 2.89 2 170.5 65.5 492 -3 4 3 43.884 87.768 0.387 2.89 2 25.9 1.5 493 0 1 7 43.905 87.809 0.388 2.89 2 118.2 31.4 494 2 -3 7 44.025 88.049 0.388 2.88 2 43.0 4.1 495 4 -2 3 44.034 88.068 0.389 2.88 2 66.9 10.1 496 3 -6 2 44.059 88.117 0.389 2.88 2 50.2 5.6 497 1 5 3 44.079 88.158 0.389 2.88 2 210.5 99.4 498 -4 -1 3 44.21 88.421 0.39 2.87 2 108.9 26.5 499 -4 1 3 44.24 88.48 0.39 2.87 2 42.1 4.0 500 2 -7 2 44.249 88.497 0.39 2.87 2 83.2 15.5 501 2 -2 7 44.25 88.501 0.39 2.87 2 183.2 75.0 502 -4 -2 1 44.257 88.515 0.39 2.87 2 54.7 6.7 503 0 -7 5 44.347 88.693 0.391 2.86 2 121.0 32.7 504 2 -7 3 44.357 88.715 0.391 2.86 2 24.1 1.3 505 -1 1 7 44.415 88.83 0.391 2.86 2 161.4 58.0 506 -1 7 0 44.421 88.843 0.391 2.86 2 77.8 13.5 507 -1 -6 6 44.422 88.843 0.391 2.86 2 17.2 0.7 508 -2 -3 7 44.425 88.85 0.391 2.86 2 40.2 3.6 509 1 -7 5 44.451 88.902 0.391 2.86 2 66.7 9.9 510 3 -6 1 44.473 88.947 0.392 2.86 2 39.5 3.5 511 -1 -5 7 44.492 88.983 0.392 2.86 2 14.1 0.4 512 4 -1 3 44.492 88.983 0.392 2.86 2 96.9 20.9 513 0 -3 8 44.571 89.141 0.392 2.85 2 166.5 61.6 514 -4 -2 2 44.601 89.201 0.393 2.85 2 117.1 30.4 515 0 -2 8 44.619 89.238 0.393 2.85 2 113.2 28.4 516 3 -6 3 44.64 89.279 0.393 2.85 2 208.8 96.7 517 -2 -6 1 44.643 89.285 0.393 2.85 2 24.2 1.3 518 -1 -7 3 44.662 89.324 0.393 2.85 2 17.1 0.7 519 -2 2 6 44.71 89.421 0.393 2.84 2 11.0 0.3 520 4 -3 3 44.739 89.479 0.393 2.84 2 104.0 23.9 521 3 4 1 44.74 89.481 0.393 2.84 2 12.8 0.4 522 4 -4 1 44.758 89.515 0.394 2.84 2 160.3 56.9 523 0 7 0 44.831 89.663 0.394 2.84 2 53.7 6.4 524 -2 -6 4 44.843 89.686 0.394 2.84 2 109.8 26.7 525 2 1 6 44.858 89.715 0.394 2.84 2 158.9 55.8 526 -1 -7 2 44.862 89.723 0.394 2.84 2 235.4 122.4 527 4 2 0 44.91 89.819 0.395 2.83 2 111.9 27.6 528 2 -4 7 44.961 89.923 0.395 2.83 2 230.2 116.8 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 0 0 1 5.348 10.695 9.59726 8108.2 100.0 100.0 5.6 2 0 1 0 5.78 11.561 8.88088 115.4 1.4 1.4 5.6 3 0 -1 1 6.389 12.779 8.03764 1831.8 22.6 22.6 5.6 4 0 1 1 9.148 18.296 5.62606 736.4 9.1 9.0 5.6 5 1 0 0 9.321 18.641 5.52275 1313.4 16.2 16.1 5.6 6 -1 1 0 10.24 20.481 5.03129 1654.8 20.4 20.3 5.6 7 0 -1 2 10.304 20.609 5.00046 1422.3 17.5 17.4 5.6 8 -1 0 1 10.486 20.972 4.91472 1153.2 14.2 14.1 5.6 9 0 -2 1 10.994 21.988 4.69017 3379.5 41.7 41.4 5.6 10 1 0 1 11.046 22.093 4.66832 1886.3 23.3 23.1 5.6 11 0 2 0 11.621 23.242 4.44044 1111.0 13.7 13.6 5.6 12 1 1 0 11.703 23.406 4.40968 661.5 8.2 8.1 5.6 13 -1 -1 1 11.767 23.534 4.38599 1820.2 22.4 22.3 5.6 14 -1 1 1 12.239 24.479 4.21918 906.2 11.2 11.1 5.6 15 1 -2 1 13.545 27.091 3.81897 1862.9 23.0 22.7 5.6 16 -1 2 0 13.846 27.691 3.73769 985.2 12.2 12.0 5.6 17 0 1 2 13.909 27.818 3.72108 2602.3 32.1 31.7 5.6 18 1 1 1 13.944 27.889 3.71178 212.7 2.6 2.6 5.6 19 -1 -1 2 14.107 28.214 3.66977 1642.7 20.3 20.0 5.6 20 0 2 1 14.437 28.873 3.58777 1604.8 19.8 19.5 5.6 21 1 0 2 14.72 29.44 3.52018 1490.5 18.4 18.1 5.6 22 0 -1 3 15.227 30.454 3.40562 959.7 11.8 11.7 5.6 23 1 -2 2 15.321 30.642 3.38516 3794.6 46.8 46.2 5.6 24 -1 -2 1 15.38 30.761 3.37244 255.6 3.2 3.1 5.6 25 -1 1 2 15.965 31.93 3.25197 1350.4 16.7 16.4 5.6 26 1 2 0 16.04 32.08 3.2372 3443.1 42.5 41.8 5.6 27 -1 2 1 16.116 32.232 3.22232 127.3 1.6 1.5 5.6 28 -1 -2 2 16.61 33.221 3.12899 369.1 4.6 4.5 5.6 29 0 -3 2 17.192 34.384 3.02617 1826.4 22.5 22.1 5.7 30 0 3 0 17.587 35.174 2.96029 90.2 1.1 1.1 5.7 31 1 1 2 17.693 35.387 2.94304 613.8 7.6 7.4 5.7 32 -1 -1 3 17.913 35.825 2.90817 1767.6 21.8 21.4 5.7 33 1 -1 3 18.033 36.065 2.88948 1415.6 17.5 17.1 5.7 34 -1 0 3 18.341 36.683 2.84245 1153.1 14.2 14.0 5.7 35 1 2 1 18.408 36.816 2.83253 1417.3 17.5 17.1 5.7 36 1 -2 3 18.639 37.279 2.7986 612.3 7.6 7.4 5.7 37 1 -3 2 18.708 37.416 2.78871 660.1 8.1 8.0 5.7 38 -1 3 0 18.74 37.48 2.78407 962.3 11.9 11.6 5.7 39 -2 1 0 18.957 37.913 2.75344 1844.8 22.8 22.3 5.7 40 0 1 3 19.154 38.308 2.72608 2315.3 28.6 28.0 5.7 41 1 0 3 19.35 38.701 2.69948 478.0 5.9 5.8 5.7 42 -1 -2 3 19.412 38.824 2.69126 261.3 3.2 3.2 5.7 43 0 -3 3 19.503 39.005 2.67921 1011.4 12.5 12.2 5.7 44 -2 1 1 20.008 40.017 2.61417 1461.1 18.0 17.6 5.7 45 0 3 1 20.208 40.416 2.58942 280.3 3.5 3.4 5.7 46 -2 -1 1 20.553 41.107 2.54774 665.3 8.2 8.0 5.7 47 -1 1 3 20.595 41.19 2.5428 222.5 2.7 2.7 5.7 48 2 1 0 20.671 41.341 2.53391 588.0 7.3 7.1 5.7 49 2 -2 1 20.774 41.549 2.52181 737.7 9.1 8.9 5.7 50 0 -2 4 20.962 41.924 2.50023 253.1 3.1 3.0 5.7 51 -1 3 1 21.087 42.175 2.48606 1955.4 24.1 23.5 5.7 52 1 3 0 21.29 42.58 2.46346 311.6 3.8 3.7 5.7 53 -2 -1 2 21.913 43.827 2.39671 256.6 3.2 3.1 5.7 54 2 -2 2 22.183 44.367 2.36898 273.8 3.4 3.3 5.7 55 2 1 1 22.246 44.492 2.36264 269.2 3.3 3.2 5.7 56 1 1 3 22.304 44.609 2.35677 168.1 2.1 2.0 5.7 57 -2 2 1 22.335 44.669 2.35375 206.4 2.5 2.5 5.7 58 0 -4 2 22.422 44.843 2.34509 831.4 10.3 10.0 5.7 59 2 0 2 22.532 45.065 2.33416 1344.8 16.6 16.1 5.7 60 1 -1 4 22.945 45.889 2.29441 629.4 7.8 7.5 5.7 61 0 -3 4 23.02 46.04 2.28732 203.7 2.5 2.4 5.7 62 1 -4 1 23.118 46.236 2.27815 393.5 4.9 4.7 5.7 63 1 -4 2 23.282 46.563 2.26302 569.1 7.0 6.8 5.7 64 -1 0 4 23.424 46.848 2.25003 315.8 3.9 3.8 5.7 65 2 -3 1 23.62 47.241 2.23238 457.9 5.6 5.5 5.7 66 0 4 0 23.758 47.515 2.22022 575.6 7.1 6.9 5.7 67 0 3 2 23.945 47.889 2.2039 692.8 8.5 8.3 5.7 68 -2 -2 2 24.071 48.142 2.19299 354.8 4.4 4.2 5.7 69 -2 3 0 24.167 48.334 2.18484 133.4 1.6 1.6 5.7 70 -1 2 3 24.254 48.507 2.17749 211.3 2.6 2.5 5.7 71 -1 4 0 24.309 48.617 2.17285 184.8 2.3 2.2 5.7 72 1 -3 4 24.504 49.008 2.1566 469.6 5.8 5.6 5.7 73 -1 3 2 24.582 49.164 2.15017 152.5 1.9 1.8 5.7 74 0 1 4 24.722 49.444 2.13874 124.5 1.5 1.5 5.7 75 1 -4 3 24.779 49.558 2.13413 345.3 4.3 4.1 5.7 76 2 -2 3 24.856 49.712 2.12793 467.0 5.8 5.6 5.7 77 -2 2 2 25.087 50.174 2.10959 335.5 4.1 4.0 5.7 78 -1 -3 4 25.569 51.139 2.0724 267.3 3.3 3.2 5.8 79 -2 3 1 25.991 51.981 2.04111 333.6 4.1 4.0 5.8 80 0 -2 5 26.08 52.16 2.0346 746.6 9.2 8.9 5.8 81 2 0 3 26.123 52.246 2.03147 356.8 4.4 4.2 5.8 82 0 4 1 26.333 52.667 2.0164 195.2 2.4 2.3 5.8 83 0 -4 4 26.432 52.864 2.00941 243.2 3.0 2.9 5.8 84 1 2 3 26.463 52.927 2.00721 86.7 1.1 1.0 5.8 85 1 4 0 27.106 54.213 1.96306 200.6 2.5 2.4 5.8 86 1 3 2 27.193 54.387 1.95726 91.5 1.1 1.1 5.8 87 -2 -3 1 27.317 54.633 1.94912 98.1 1.2 1.2 5.8 88 0 -3 5 27.398 54.797 1.94375 95.1 1.2 1.1 5.8 89 1 1 4 27.491 54.982 1.93769 434.8 5.4 5.2 5.8 90 -2 -3 2 27.536 55.072 1.93478 145.4 1.8 1.7 5.8 91 0 0 5 27.775 55.55 1.91945 351.1 4.3 4.2 5.8 92 1 -2 5 27.898 55.797 1.91164 106.7 1.3 1.3 5.8 93 2 -4 2 27.932 55.865 1.90948 580.2 7.2 6.9 5.8 94 0 -5 2 28.24 56.48 1.89038 236.7 2.9 2.8 5.8 95 2 3 0 28.305 56.61 1.88638 168.5 2.1 2.0 5.8 96 1 -1 5 28.351 56.702 1.88359 501.7 6.2 5.9 5.8 97 0 3 3 28.487 56.973 1.87535 305.9 3.8 3.6 5.8 98 2 -2 4 28.535 57.069 1.87247 104.0 1.3 1.2 5.8 99 -2 0 4 28.627 57.255 1.86692 157.4 1.9 1.9 5.8 100 0 -5 1 28.662 57.324 1.86485 105.0 1.3 1.2 5.8 101 0 2 4 28.735 57.469 1.86054 248.1 3.1 2.9 5.8 102 -2 2 3 28.829 57.657 1.85499 817.0 10.1 9.6 5.8 103 2 -1 4 28.867 57.734 1.85272 108.2 1.3 1.3 5.8 104 -2 3 2 28.919 57.839 1.84967 216.5 2.7 2.6 5.8 105 -1 0 5 28.958 57.915 1.84744 173.9 2.1 2.1 5.8 106 -1 -4 4 29.083 58.167 1.84014 174.5 2.2 2.1 5.8 107 3 -1 1 29.303 58.606 1.82757 198.2 2.4 2.3 5.8 108 -1 2 4 29.377 58.753 1.82339 399.5 4.9 4.7 5.8 109 1 -5 3 29.525 59.05 1.81506 136.9 1.7 1.6 5.8 110 2 -3 4 29.574 59.147 1.81233 381.0 4.7 4.5 5.8 111 0 -4 5 30.035 60.071 1.787 208.3 2.6 2.5 5.8 112 1 0 5 30.156 60.311 1.78055 285.6 3.5 3.4 5.8 113 0 5 0 30.238 60.475 1.77618 82.2 1.0 1.0 5.8 114 -1 5 0 30.394 60.789 1.76788 215.3 2.7 2.5 5.8 115 2 3 1 30.425 60.85 1.76629 89.7 1.1 1.1 5.8 116 -3 -1 1 30.486 60.973 1.76307 201.5 2.5 2.4 5.8 117 0 1 5 30.626 61.253 1.75577 90.9 1.1 1.1 5.8 118 -3 0 2 30.661 61.322 1.75399 86.8 1.1 1.0 5.8 119 3 1 0 30.692 61.384 1.7524 174.1 2.1 2.0 5.8 120 3 -1 2 30.952 61.905 1.73909 282.5 3.5 3.3 5.8 121 1 -4 5 31.091 62.181 1.73213 101.5 1.3 1.2 5.8 122 -1 -5 2 31.331 62.661 1.7202 275.5 3.4 3.2 5.8 123 -1 1 5 31.437 62.873 1.71499 173.9 2.1 2.0 5.9 124 1 3 3 31.526 63.052 1.71063 942.2 11.6 11.0 5.9 125 0 -2 6 31.687 63.375 1.70281 284.6 3.5 3.3 5.9 126 -1 -5 1 31.842 63.684 1.69541 102.0 1.3 1.2 5.9 127 3 -3 1 31.896 63.792 1.69285 705.1 8.7 8.3 5.9 128 -1 -5 3 31.934 63.868 1.69104 144.1 1.8 1.7 5.9 129 3 1 1 32.015 64.029 1.68723 112.6 1.4 1.3 5.9 130 3 0 2 32.049 64.099 1.6856 95.3 1.2 1.1 5.9 131 0 -1 6 32.213 64.427 1.67792 93.2 1.1 1.1 5.9 132 -1 -4 5 32.385 64.77 1.67 256.4 3.2 3.0 5.9 133 2 -5 2 32.475 64.95 1.66588 226.3 2.8 2.6 5.9 134 2 -5 1 32.638 65.276 1.65847 626.1 7.7 7.3 5.9 135 -2 -1 5 32.683 65.365 1.65645 124.2 1.5 1.4 5.9 136 2 2 3 32.721 65.442 1.65472 197.6 2.4 2.3 5.9 137 0 5 1 32.867 65.734 1.64818 358.8 4.4 4.2 5.9 138 -2 -4 3 32.925 65.85 1.64561 264.0 3.3 3.1 5.9 139 -3 2 2 33.073 66.146 1.63907 389.1 4.8 4.5 5.9 140 1 1 5 33.18 66.359 1.63442 125.9 1.6 1.5 5.9 141 -1 -2 6 33.269 66.538 1.63053 91.9 1.1 1.1 5.9 142 -2 2 4 33.374 66.748 1.62598 317.5 3.9 3.7 5.9 143 2 1 4 33.443 66.887 1.62301 614.2 7.6 7.2 5.9 144 2 4 0 33.547 67.093 1.6186 276.5 3.4 3.2 5.9 145 2 -3 5 33.586 67.171 1.61694 304.8 3.8 3.5 5.9 146 2 -1 5 33.734 67.467 1.61067 277.6 3.4 3.2 5.9 147 -2 5 0 33.885 67.769 1.60435 209.2 2.6 2.4 5.9 148 0 0 6 34.0 68.001 1.59954 94.7 1.2 1.1 5.9 149 -3 1 3 34.036 68.072 1.59807 205.8 2.5 2.4 5.9 150 0 4 3 34.317 68.633 1.58658 84.9 1.0 1.0 5.9 151 -1 4 3 34.426 68.851 1.58218 279.2 3.4 3.2 5.9 152 1 -5 5 34.509 69.018 1.57883 373.5 4.6 4.3 5.9 153 0 2 5 34.584 69.169 1.57581 115.6 1.4 1.3 5.9 154 1 -6 2 34.682 69.363 1.57194 277.6 3.4 3.2 5.9 155 -1 0 6 34.95 69.899 1.5614 103.5 1.3 1.2 5.9 156 -1 2 5 35.056 70.112 1.55727 250.8 3.1 2.9 5.9 157 1 -6 1 35.342 70.683 1.54631 199.7 2.5 2.3 5.9 158 2 -5 4 35.38 70.761 1.54483 260.9 3.2 3.0 5.9 159 1 -4 6 35.561 71.122 1.53802 129.1 1.6 1.5 5.9 160 2 4 1 35.876 71.753 1.52628 88.8 1.1 1.0 5.9 161 1 0 6 36.253 72.506 1.51256 235.8 2.9 2.7 5.9 162 -1 5 2 36.367 72.735 1.50847 171.6 2.1 2.0 6.0 163 0 5 2 36.44 72.879 1.50589 101.4 1.3 1.2 6.0 164 1 3 4 36.592 73.183 1.5005 95.9 1.2 1.1 6.0 165 3 -2 4 36.689 73.379 1.49706 166.7 2.1 1.9 6.0 166 0 6 0 37.179 74.358 1.48015 87.2 1.1 1.0 6.0 167 -2 3 4 37.44 74.88 1.47132 119.9 1.5 1.4 6.0 168 -3 4 1 37.479 74.958 1.47001 324.6 4.0 3.7 6.0 169 -1 1 6 37.596 75.193 1.4661 171.6 2.1 2.0 6.0 170 -3 -3 3 37.72 75.441 1.462 224.9 2.8 2.6 6.0 171 3 2 2 37.854 75.708 1.45761 164.2 2.0 1.9 6.0 172 -2 -1 6 37.885 75.771 1.45658 144.2 1.8 1.7 6.0 173 2 -2 6 38.252 76.503 1.44474 137.7 1.7 1.6 6.0 174 2 -6 3 38.398 76.796 1.44008 176.5 2.2 2.0 6.0 175 2 -6 1 38.438 76.877 1.4388 203.9 2.5 2.3 6.0 176 2 1 5 38.759 77.518 1.42874 241.6 3.0 2.8 6.0 177 3 0 4 39.032 78.064 1.42034 164.2 2.0 1.9 6.0 178 3 -4 4 39.145 78.29 1.41688 154.2 1.9 1.8 6.0 179 3 -5 1 39.23 78.46 1.41431 110.7 1.4 1.3 6.0 180 2 -1 6 39.295 78.59 1.41235 131.0 1.6 1.5 6.0 181 -1 4 4 39.488 78.977 1.40656 280.4 3.5 3.2 6.0 182 1 5 2 39.609 79.219 1.40296 198.5 2.4 2.3 6.0 183 0 6 1 39.963 79.927 1.39259 101.6 1.3 1.2 6.0 184 -3 4 2 40.205 80.409 1.38564 142.0 1.8 1.6 6.0 185 -3 5 0 40.288 80.577 1.38325 130.6 1.6 1.5 6.1 186 4 -1 1 40.407 80.814 1.37989 201.8 2.5 2.3 6.1 187 0 0 7 40.723 81.445 1.37104 116.3 1.4 1.3 6.1 188 1 -4 7 40.811 81.622 1.36858 235.4 2.9 2.7 6.1 189 0 2 6 41.013 82.025 1.36304 196.1 2.4 2.2 6.1 190 -4 2 1 41.353 82.705 1.35382 81.1 1.0 0.9 6.1 191 3 2 3 41.454 82.908 1.35111 160.5 2.0 1.8 6.1 192 3 -1 5 41.77 83.541 1.34274 125.6 1.5 1.4 6.1 193 0 -6 6 41.89 83.78 1.33961 115.4 1.4 1.3 6.1 194 4 -1 2 41.956 83.911 1.3379 149.7 1.8 1.7 6.1 195 1 -6 6 42.373 84.745 1.32719 207.1 2.6 2.3 6.1 196 1 -7 1 42.433 84.866 1.32566 380.1 4.7 4.3 6.1 197 -2 6 1 42.513 85.026 1.32364 304.6 3.8 3.4 6.1 198 1 6 1 43.234 86.467 1.30583 82.0 1.0 0.9 6.1 199 1 2 6 43.691 87.383 1.29487 157.6 1.9 1.8 6.2 200 1 5 3 44.079 88.158 1.28579 105.1 1.3 1.2 6.2 201 2 -2 7 44.25 88.501 1.28184 97.2 1.2 1.1 6.2 202 0 -3 8 44.571 89.141 1.27455 92.0 1.1 1.0 6.2 203 3 -6 3 44.64 89.279 1.27299 126.4 1.6 1.4 6.2 204 4 -4 1 44.758 89.515 1.27035 81.2 1.0 0.9 6.2 205 -1 -7 2 44.862 89.723 1.26802 211.2 2.6 2.3 6.2 206 2 -4 7 44.961 89.923 1.26581 116.8 1.4 1.3 6.2 Reference: Chichagov A.V. et al. Information-Calculating System on Crystal Structure Data of Minerals (MINCRYST) - Kristallographiya, v.35, n.3, 1990, p.610-616 (in Russian) |