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 *** *********************** BELOGUBITE 1 CuZn[SO(4)](2).10H(2)O Triclinic P 1(-) Z = 1 R =0.0155 NR =1797 3 .9 .19 Ref.Str.: Kasatkin A.V., Britvin S.N., Chukanov N.V., Skoda R., Agakhanov A.A., Belakovskiy D.I. (2019) * Zapiski RMO, 148(3), 30-43 L: $Cu0.58 Zn1.02 Fe2+0.25 Mg0.15 S2 O18 H20$ R: Locality - the Gayskoe massive sulfide Zn-Cu deposit, Orenburgskaya region, the South Urals, Russia. IMA2018-005. See U(ij) in the original. N.A.D. Initial data from BDM-file Lattice parameters (cub. angs.,degr.): a = 6.2548 alpha = 82.59 b = 10.6112 beta = 109.62 c = 6.0439 gamma = 104.85 Unit cell volume (cub. angs.) = 364.81 Molar volume ( cub.cm/mol.) = 219.74 Co-ordinates, thermal parameters, occupation for atomic positions: NoP x/a y/b z/c B(j) atom / occupation 1 0.0 0.0 0.0 0.0 Cu = 0.58, Zn = 0.42 2 0.5 0.5 0.0 0.0 Zn = 0.6 , Fe = 0.25, Mg = 0.15 3 0.9722 0.7113 0.3526 0.0 S = 1.00 4 0.0766 0.8481 0.3006 0.0 O = 1.00 5 0.7389 0.674 0.1762 0.0 O = 1.00 6 0.1219 0.6261 0.3476 0.0 O = 1.00 7 0.9442 0.6998 0.5885 0.0 O = 1.00 8 0.1754 0.9248 0.8452 0.0 O = 1.00 9 0.6952 0.8833 0.828 0.0 O = 1.00 10 0.4737 0.4048 0.3115 0.0 O = 1.00 11 0.7564 0.4079 0.0262 0.0 O = 1.00 12 0.4447 0.1282 0.6543 0.0 O = 1.00 13 0.101 0.871 0.753 0.0 H = 1.00 14 0.267 0.977 0.785 0.0 H = 1.00 15 0.672 0.809 0.891 0.0 H = 1.00 16 0.659 0.876 0.689 0.0 H = 1.00 17 0.585 0.399 0.421 0.0 H = 1.00 18 0.363 0.384 0.352 0.0 H = 1.00 19 0.842 0.391 0.148 0.0 H = 1.00 20 0.807 0.402 0.916 0.0 H = 1.00 21 0.585 0.129 0.693 0.0 H = 1.00 22 0.424 0.189 0.711 0.0 H = 1.00 Co-ordinates for all atomic positions : No NoP x/a y/b z/c 1 1 0.0 0.0 0.0 2 2 0.5 0.5 0.0 3 3 0.9722 0.7113 0.3526 4 4 0.0766 0.8481 0.3006 5 5 0.7389 0.674 0.1762 6 6 0.1219 0.6261 0.3476 7 7 0.9442 0.6998 0.5885 8 8 0.1754 0.9248 0.8452 9 9 0.6952 0.8833 0.828 10 10 0.4737 0.4048 0.3115 11 11 0.7564 0.4079 0.0262 12 12 0.4447 0.1282 0.6543 13 13 0.101 0.871 0.753 14 14 0.267 0.977 0.785 15 15 0.672 0.809 0.891 16 16 0.659 0.876 0.689 17 17 0.585 0.399 0.421 18 18 0.363 0.384 0.352 19 19 0.842 0.391 0.148 20 20 0.807 0.402 0.916 21 21 0.585 0.129 0.693 22 22 0.424 0.189 0.711 23 3 0.0278 0.2887 0.6474 24 4 0.9234 0.1519 0.6994 25 5 0.2611 0.326 0.8238 26 6 0.8781 0.3739 0.6524 27 7 0.0558 0.3002 0.4115 28 8 0.8246 0.0752 0.1548 29 9 0.3048 0.1167 0.172 30 10 0.5263 0.5952 0.6885 31 11 0.2436 0.5921 0.9738 32 12 0.5553 0.8718 0.3457 33 13 0.899 0.129 0.247 34 14 0.733 0.023 0.215 35 15 0.328 0.191 0.109 36 16 0.341 0.124 0.311 37 17 0.415 0.601 0.579 38 18 0.637 0.616 0.648 39 19 0.158 0.609 0.852 40 20 0.193 0.598 0.084 41 21 0.415 0.871 0.307 42 22 0.576 0.811 0.289 X-ray density (g/cm cub.) = 2.25 MU (1/cm) = 88.482 Mass attenuation coefficient (cm**2/g) = 39.41 Selected interatomic distances (cation-anion,anion-anion): NoP Atom Rad.sph. C.N. Distance NoP N. (angs.) (angs.) 1 Cu ,Zn 2.808 6 2.2769 4 2.0115 8 2.0101 9 2.2769 4 2.0115 8 2.0101 9 2 Zn ,Fe ,Mg 2.628 6 2.1907 5 2.0553 10 2.0357 11 2.1907 5 2.0553 10 2.0357 11 3 S 1.98 4 1.4719 4 1.4801 5 1.4674 6 1.4798 7 4 O 3.264 8 2.3942 5 2.4129 6 2.4045 7 2.9877 8 3.0973 9 3.0879 8 2.9759 9 2.8609 12 5 O 3.264 9 2.3942 4 2.4269 6 2.404 7 2.8555 9 3.0754 10 3.1126 11 2.9306 10 2.8632 11 3.0589 12 6 O 3.264 7 2.4129 4 2.4269 5 2.4064 7 3.1347 11 2.7388 10 2.7061 11 3.2461 12 7 O 3.264 7 2.4045 4 2.404 5 2.4064 6 2.8067 8 2.7984 10 2.7784 11 3.2537 12 8 O 3.264 7 2.9877 4 2.8067 7 2.8896 9 2.7614 12 3.0879 4 2.797 9 3.2451 12 9 O 3.264 8 3.0973 4 2.8555 5 2.8896 8 3.2541 12 2.9759 4 2.797 8 3.0956 10 2.757 12 10 O 3.264 8 3.0754 5 2.8469 11 2.9306 5 2.7388 6 2.7984 7 3.0956 9 3.1183 10 2.938 11 11 O 3.264 8 3.1126 5 3.1347 6 2.8469 10 2.8632 5 2.7061 6 2.7784 7 2.938 10 3.2621 11 12 O 3.264 8 2.7614 8 3.2541 9 2.8609 4 3.0589 5 3.2461 6 3.2537 7 3.2451 8 2.757 9 13 H 1.632 1 0.7905 8 14 H 1.632 1 0.8323 8 15 H 1.632 1 0.8295 9 16 H 1.632 1 0.8018 9 17 H 1.632 1 0.7927 10 18 H 1.632 1 0.7808 10 19 H 1.632 1 0.7818 11 20 H 1.632 1 0.8428 11 21 H 1.632 1 0.8268 12 22 H 1.632 1 0.8249 12 X-ray diffraction powder data (II), X-Ray W.L. = 1.54056(angs.): No H K L Theta 2*Theta S LPG MF F I int. ( degree ) *100 1 0 1 0 4.312 8.623 0.049 350.85 2 7.4 28.6 2 1 0 0 7.717 15.434 0.087 107.97 2 37.9 233.3 3 0 0 1 7.785 15.57 0.088 106.05 2 28.7 131.2 4 -1 1 0 7.94 15.88 0.09 101.87 2 52.4 419.7 5 0 2 0 8.648 17.296 0.098 85.52 2 19.3 48.1 6 0 1 1 8.731 17.461 0.099 83.87 2 39.9 200.5 7 -1 0 1 9.077 18.154 0.102 77.43 2 20.3 47.7 8 0 -1 1 9.091 18.181 0.103 77.19 2 19.3 43.0 9 -1 1 1 9.093 18.186 0.103 77.14 2 81.8 775.5 10 1 1 0 9.682 19.365 0.109 67.78 2 31.2 99.0 11 -1 2 0 10.213 20.425 0.115 60.71 2 27.3 67.9 12 -1 -1 1 10.953 21.907 0.123 52.5 2 34.6 94.6 13 -1 2 1 10.994 21.988 0.124 52.09 2 12.5 12.2 14 0 2 1 11.395 22.791 0.128 48.34 2 68.0 335.7 15 0 -2 1 11.951 23.902 0.134 43.76 2 87.1 499.1 16 1 0 1 12.638 25.277 0.142 38.91 2 13.3 10.4 17 1 2 0 12.901 25.802 0.145 37.26 2 40.9 93.6 18 1 -1 1 12.906 25.811 0.145 37.23 2 24.4 33.3 19 0 3 0 13.035 26.07 0.146 36.46 2 28.4 44.3 20 -1 3 0 13.575 27.151 0.152 33.46 2 50.2 126.9 21 1 1 1 13.833 27.666 0.155 32.15 2 84.7 346.8 22 -1 -2 1 14.012 28.024 0.157 31.28 2 48.8 111.8 23 -1 3 1 14.066 28.132 0.158 31.03 2 5.1 1.2 24 -2 1 1 14.534 29.067 0.163 28.94 2 19.3 16.2 25 1 -2 1 14.56 29.12 0.163 28.82 2 63.0 171.8 26 0 3 1 14.925 29.851 0.167 27.34 2 38.2 60.0 27 -2 0 1 15.057 30.115 0.169 26.83 2 16.2 10.6 28 -1 1 2 15.067 30.133 0.169 26.79 2 17.6 12.4 29 -1 0 2 15.166 30.332 0.17 26.42 2 18.9 14.1 30 -2 1 0 15.181 30.361 0.17 26.36 2 27.8 30.6 31 -2 2 1 15.315 30.631 0.171 25.86 2 89.2 309.5 32 0 -3 1 15.576 31.153 0.174 24.94 2 23.5 20.7 33 2 0 0 15.579 31.157 0.174 24.93 2 62.2 144.8 34 0 0 2 15.719 31.438 0.176 24.46 2 4.3 0.7 35 -2 2 0 16.038 32.075 0.179 23.42 2 10.0 3.5 36 0 1 2 16.124 32.248 0.18 23.15 2 49.8 86.3 37 1 2 1 16.192 32.385 0.181 22.94 2 2.9 0.3 38 -1 2 2 16.218 32.436 0.181 22.86 2 50.2 86.5 39 -1 -1 2 16.495 32.991 0.184 22.04 2 81.2 218.6 40 0 -1 2 16.532 33.064 0.185 21.93 2 20.5 13.9 41 1 3 0 16.714 33.428 0.187 21.42 2 99.7 319.6 42 -2 -1 1 16.776 33.552 0.187 21.24 2 5.7 1.0 43 2 1 0 17.153 34.307 0.191 20.24 2 21.8 14.4 44 1 -3 1 17.238 34.476 0.192 20.02 2 30.7 28.3 45 -2 3 1 17.242 34.485 0.192 20.01 2 5.7 1.0 46 -1 4 0 17.464 34.927 0.195 19.47 2 45.2 59.8 47 0 4 0 17.501 35.003 0.195 19.37 2 13.7 5.5 48 0 2 2 17.673 35.346 0.197 18.96 2 15.1 6.5 49 -1 -3 1 17.701 35.403 0.197 18.9 2 17.4 8.6 50 -1 4 1 17.763 35.526 0.198 18.76 2 27.1 20.7 51 -2 1 2 17.862 35.723 0.199 18.53 2 6.4 1.1 52 -2 3 0 17.989 35.978 0.2 18.24 2 41.8 48.0 53 -2 0 2 18.392 36.784 0.205 17.38 2 4.9 0.6 54 -1 3 2 18.41 36.82 0.205 17.34 2 10.6 3.0 55 0 -2 2 18.421 36.841 0.205 17.32 2 83.1 179.7 56 -2 2 2 18.426 36.852 0.205 17.31 2 47.8 59.4 57 -1 -2 2 18.823 37.646 0.209 16.51 2 32.6 26.4 58 0 4 1 18.902 37.804 0.21 16.36 2 43.7 47.0 59 1 3 1 19.339 38.679 0.215 15.55 2 49.1 56.5 60 -2 -2 1 19.409 38.819 0.216 15.43 2 11.2 2.9 61 2 -1 1 19.449 38.898 0.216 15.36 2 4.2 0.4 62 0 -4 1 19.609 39.219 0.218 15.08 2 26.1 15.5 63 2 2 0 19.656 39.312 0.218 15.0 2 35.1 27.8 64 2 0 1 19.684 39.368 0.219 14.96 2 15.5 5.4 65 1 0 2 19.77 39.54 0.22 14.81 2 25.2 14.1 66 -2 -1 2 19.942 39.885 0.221 14.53 2 0.2 0.0 67 -2 3 2 20.006 40.011 0.222 14.43 2 58.9 75.2 68 -2 4 1 20.025 40.051 0.222 14.4 2 38.4 32.0 69 1 -1 2 20.036 40.072 0.222 14.38 2 33.8 24.7 70 0 3 2 20.135 40.271 0.223 14.22 2 7.3 1.1 71 2 -2 1 20.231 40.461 0.224 14.07 2 26.0 14.3 72 1 1 2 20.509 41.017 0.227 13.65 2 14.5 4.3 73 1 -4 1 20.596 41.192 0.228 13.52 2 10.7 2.3 74 -2 4 0 20.769 41.538 0.23 13.27 2 66.6 88.5 75 1 4 0 20.867 41.734 0.231 13.13 2 6.1 0.7 76 2 1 1 20.908 41.816 0.232 13.07 2 42.5 35.4 77 0 -3 2 21.137 42.274 0.234 12.76 2 26.2 13.1 78 1 -2 2 21.275 42.55 0.236 12.57 2 0.2 0.0 79 -1 4 2 21.37 42.741 0.237 12.45 2 5.8 0.6 80 -1 5 0 21.668 43.336 0.24 12.07 2 0.7 0.0 81 -3 1 1 21.727 43.454 0.24 11.99 2 25.1 11.4 82 -1 -4 1 21.772 43.545 0.241 11.94 2 18.5 6.1 83 -1 5 1 21.839 43.677 0.241 11.86 2 51.0 46.4 84 -1 -3 2 21.881 43.762 0.242 11.81 2 31.7 17.9 85 -3 2 1 21.909 43.817 0.242 11.77 2 6.1 0.7 86 2 -3 1 21.939 43.879 0.243 11.74 2 2.6 0.1 87 0 5 0 22.081 44.161 0.244 11.57 2 23.7 9.8 88 1 2 2 22.169 44.338 0.245 11.46 2 21.2 7.7 89 -2 -2 2 22.335 44.67 0.247 11.27 2 22.2 8.3 90 -2 4 2 22.422 44.843 0.248 11.17 2 60.2 60.8 91 -3 0 1 22.476 44.953 0.248 11.11 2 10.6 1.9 92 -1 1 3 22.534 45.067 0.249 11.05 2 9.2 1.4 93 -1 0 3 22.682 45.363 0.25 10.89 2 13.2 2.9 94 -2 -3 1 22.695 45.39 0.25 10.87 2 19.5 6.2 95 2 3 0 22.836 45.671 0.252 10.72 2 44.2 31.5 96 2 2 1 22.991 45.982 0.254 10.56 2 88.0 122.9 97 -3 3 1 23.004 46.008 0.254 10.55 2 51.4 41.9 98 1 4 1 23.017 46.033 0.254 10.53 2 4.2 0.3 99 -3 1 0 23.116 46.231 0.255 10.43 2 49.3 38.1 100 0 5 1 23.173 46.347 0.255 10.37 2 5.4 0.5 101 0 4 2 23.276 46.551 0.257 10.27 2 49.6 37.9 102 -1 2 3 23.29 46.581 0.257 10.25 2 14.2 3.1 103 -3 1 2 23.315 46.63 0.257 10.23 2 45.4 31.6 104 1 -3 2 23.362 46.724 0.257 10.18 2 52.1 41.5 105 -3 2 0 23.364 46.729 0.257 10.18 2 38.4 22.6 106 -3 2 2 23.412 46.823 0.258 10.13 2 6.2 0.6 107 -2 5 1 23.419 46.838 0.258 10.13 2 16.7 4.2 108 -1 -1 3 23.721 47.442 0.261 9.84 2 51.7 39.4 109 -2 1 3 23.725 47.449 0.261 9.83 2 7.7 0.9 110 3 0 0 23.756 47.512 0.261 9.8 2 7.9 0.9 111 0 -5 1 23.925 47.85 0.263 9.65 2 41.7 25.2 112 0 0 3 23.977 47.955 0.264 9.6 2 74.3 79.7 113 -3 -1 1 24.088 48.176 0.265 9.5 2 28.2 11.4 114 -3 0 2 24.099 48.199 0.265 9.49 2 7.8 0.9 115 -2 2 3 24.101 48.202 0.265 9.49 2 18.4 4.8 116 -2 5 0 24.152 48.304 0.266 9.44 2 10.6 1.6 117 0 1 3 24.19 48.381 0.266 9.41 2 26.7 10.1 118 -2 0 3 24.221 48.442 0.266 9.38 2 94.3 125.4 119 -3 3 2 24.381 48.762 0.268 9.24 2 70.4 68.8 120 2 -4 1 24.42 48.84 0.268 9.21 2 37.8 19.8 121 1 -5 1 24.424 48.848 0.268 9.21 2 34.4 16.4 122 0 -4 2 24.466 48.932 0.269 9.17 2 65.4 58.9 123 -3 3 0 24.482 48.963 0.269 9.16 2 41.7 23.9 124 1 3 2 24.603 49.205 0.27 9.05 2 66.7 60.6 125 0 -1 3 24.629 49.258 0.271 9.03 2 14.5 2.9 126 -1 3 3 24.888 49.776 0.273 8.82 2 45.2 27.1 127 -1 5 2 24.889 49.779 0.273 8.82 2 31.0 12.8 128 -3 4 1 24.918 49.837 0.273 8.8 2 32.7 14.2 129 3 1 0 25.234 50.468 0.277 8.55 2 33.0 14.0 130 0 2 3 25.252 50.503 0.277 8.53 2 21.4 5.9 131 1 5 0 25.279 50.559 0.277 8.51 2 24.1 7.4 132 -2 3 3 25.321 50.642 0.278 8.48 2 17.7 4.0 133 -2 -3 2 25.387 50.774 0.278 8.43 2 19.1 4.6 134 -1 -4 2 25.473 50.947 0.279 8.37 2 9.5 1.1 135 -2 5 2 25.492 50.983 0.279 8.35 2 12.2 1.9 136 -2 -1 3 25.553 51.105 0.28 8.31 2 4.8 0.3 137 -1 -2 3 25.569 51.138 0.28 8.29 2 34.8 15.1 138 -3 -1 2 25.703 51.407 0.282 8.2 2 28.1 9.8 139 2 3 1 25.773 51.547 0.282 8.14 2 11.1 1.5 140 2 -1 2 25.832 51.663 0.283 8.1 2 53.8 35.2 141 2 0 2 25.951 51.901 0.284 8.02 2 50.5 30.7 142 0 -2 3 26.098 52.196 0.286 7.92 2 24.2 6.9 143 -1 6 0 26.126 52.252 0.286 7.9 2 14.4 2.5 144 -1 -5 1 26.134 52.268 0.286 7.89 2 77.6 71.3 145 1 -4 2 26.142 52.284 0.286 7.89 2 1.2 0.0 146 -3 4 2 26.15 52.301 0.286 7.88 2 7.9 0.7 147 -1 6 1 26.205 52.41 0.287 7.84 2 7.5 0.7 148 -3 4 0 26.385 52.769 0.288 7.72 2 27.8 9.0 149 -3 -2 1 26.443 52.887 0.289 7.68 2 28.5 9.4 150 -2 -4 1 26.464 52.928 0.289 7.67 2 46.2 24.6 151 2 4 0 26.521 53.042 0.29 7.63 2 38.7 17.2 152 2 -2 2 26.531 53.063 0.29 7.62 2 42.9 21.1 153 0 6 0 26.814 53.628 0.293 7.44 2 27.9 8.7 154 2 1 2 26.881 53.761 0.293 7.4 2 3.3 0.1 155 0 5 2 26.928 53.857 0.294 7.37 2 20.3 4.6 156 0 3 3 27.089 54.178 0.296 7.27 2 6.8 0.5 157 1 5 1 27.091 54.182 0.296 7.27 2 55.3 33.4 158 3 -1 1 27.128 54.255 0.296 7.25 2 29.6 9.5 159 -1 4 3 27.218 54.436 0.297 7.19 2 28.8 9.0 160 -2 6 1 27.273 54.546 0.297 7.16 2 50.7 27.7 161 -2 4 3 27.303 54.605 0.298 7.14 2 41.6 18.6 162 3 -2 1 27.417 54.833 0.299 7.08 2 20.2 4.3 163 3 2 0 27.451 54.901 0.299 7.06 2 11.5 1.4 164 -3 1 3 27.482 54.964 0.3 7.04 2 54.5 31.4 165 -3 2 3 27.501 55.001 0.3 7.03 2 15.4 2.5 166 2 -5 1 27.523 55.047 0.3 7.01 2 4.8 0.2 167 -3 5 1 27.528 55.057 0.3 7.01 2 83.6 73.7 168 -2 -2 3 27.632 55.264 0.301 6.95 2 18.5 3.6 169 3 0 1 27.632 55.265 0.301 6.95 2 16.6 2.9 170 1 4 2 27.665 55.33 0.301 6.93 2 15.1 2.4 171 0 6 1 27.699 55.399 0.302 6.91 2 9.5 0.9 172 1 0 3 27.809 55.618 0.303 6.85 2 20.1 4.2 173 -2 6 0 27.998 55.997 0.305 6.75 2 30.8 9.6 174 2 -3 2 28.007 56.015 0.305 6.74 2 6.3 0.4 175 -3 -2 2 28.027 56.054 0.305 6.73 2 3.4 0.1 176 1 -1 3 28.081 56.163 0.306 6.7 2 25.0 6.3 177 -1 -3 3 28.112 56.224 0.306 6.68 2 68.6 47.3 178 -3 0 3 28.247 56.495 0.307 6.61 2 3.7 0.1 179 0 -5 2 28.27 56.539 0.307 6.6 2 12.4 1.5 180 0 -3 3 28.293 56.586 0.308 6.59 2 6.1 0.4 181 -3 3 3 28.302 56.604 0.308 6.58 2 54.3 29.1 182 1 1 3 28.318 56.636 0.308 6.58 2 39.6 15.5 183 3 -3 1 28.483 56.967 0.31 6.49 2 36.4 12.9 184 0 -6 1 28.495 56.989 0.31 6.48 2 41.9 17.1 185 2 2 2 28.567 57.135 0.31 6.45 2 33.2 10.7 186 -3 5 2 28.616 57.233 0.311 6.42 2 16.0 2.5 187 1 -6 1 28.625 57.249 0.311 6.42 2 2.2 0.0 188 -1 6 2 28.847 57.694 0.313 6.31 2 5.4 0.3 189 3 1 1 28.903 57.806 0.314 6.28 2 65.2 40.1 190 -2 -4 2 28.964 57.927 0.314 6.25 2 77.3 56.1 191 -3 5 0 28.967 57.934 0.314 6.25 2 28.6 7.7 192 -2 6 2 29.083 58.167 0.316 6.19 2 63.6 37.6 193 1 -2 3 29.12 58.24 0.316 6.17 2 2.0 0.0 194 2 4 1 29.124 58.248 0.316 6.17 2 72.8 49.1 195 -3 -3 1 29.423 58.846 0.319 6.03 2 26.0 6.1 196 1 -5 2 29.489 58.978 0.32 6.0 2 52.5 24.9 197 -1 -5 2 29.493 58.986 0.32 6.0 2 39.9 14.3 198 1 2 3 29.581 59.162 0.32 5.96 2 29.6 7.9 199 0 4 3 29.605 59.209 0.321 5.95 2 26.5 6.3 200 -4 2 1 29.651 59.302 0.321 5.93 2 66.1 38.9 201 -3 -1 3 29.757 59.514 0.322 5.88 2 16.8 2.5 202 -4 1 1 29.812 59.624 0.323 5.86 2 26.0 6.0 203 -3 4 3 29.845 59.691 0.323 5.84 2 45.3 18.0 204 1 6 0 29.943 59.885 0.324 5.8 2 37.0 11.9 205 -2 5 3 29.946 59.892 0.324 5.8 2 8.1 0.6 206 -4 2 2 30.126 60.252 0.326 5.72 2 35.6 10.9 207 -1 5 3 30.17 60.341 0.326 5.7 2 40.2 13.9 208 2 -4 2 30.184 60.369 0.326 5.69 2 33.7 9.7 209 -4 3 1 30.24 60.48 0.327 5.67 2 12.0 1.2 210 3 -4 1 30.274 60.548 0.327 5.66 2 28.1 6.7 211 3 3 0 30.302 60.604 0.328 5.65 2 44.0 16.4 212 -4 1 2 30.348 60.696 0.328 5.63 2 9.5 0.8 213 -2 -3 3 30.359 60.719 0.328 5.62 2 20.5 3.5 214 2 5 0 30.622 61.244 0.331 5.52 2 25.9 5.6 215 -2 -5 1 30.633 61.267 0.331 5.51 2 33.1 9.1 216 -4 3 2 30.646 61.293 0.331 5.51 2 21.5 3.8 217 -4 0 1 30.715 61.43 0.332 5.48 2 53.3 23.4 218 -3 6 1 30.724 61.449 0.332 5.47 2 35.2 10.2 219 -1 -6 1 30.772 61.544 0.332 5.46 2 0.3 0.0 220 -1 7 0 30.839 61.677 0.333 5.43 2 57.1 26.6 221 -1 1 4 30.843 61.686 0.333 5.43 2 57.9 27.4 222 -1 7 1 30.847 61.694 0.333 5.43 2 28.7 6.7 223 1 -3 3 30.876 61.753 0.333 5.42 2 39.6 12.7 224 3 2 1 30.88 61.759 0.333 5.41 2 4.0 0.1 225 2 3 2 30.932 61.863 0.334 5.39 2 13.9 1.6 226 -3 -3 2 30.969 61.938 0.334 5.38 2 20.7 3.4 227 0 6 2 31.006 62.011 0.334 5.37 2 43.8 15.5 228 -1 0 4 31.025 62.05 0.335 5.36 2 8.0 0.5 229 -2 1 4 31.072 62.144 0.335 5.34 2 47.8 18.4 230 0 -4 3 31.12 62.239 0.335 5.32 2 26.6 5.7 231 2 -6 1 31.143 62.287 0.336 5.31 2 56.0 25.0 232 -1 -4 3 31.247 62.494 0.337 5.27 2 12.1 1.2 233 1 5 2 31.25 62.5 0.337 5.27 2 33.9 9.1 234 -4 0 2 31.304 62.608 0.337 5.25 2 41.6 13.7 235 -2 2 4 31.325 62.649 0.337 5.25 2 48.5 18.6 236 -1 2 4 31.394 62.789 0.338 5.22 2 2.2 0.0 237 1 6 1 31.513 63.026 0.339 5.18 2 6.2 0.3 238 -2 7 1 31.519 63.037 0.339 5.17 2 27.3 5.8 239 1 3 3 31.543 63.087 0.34 5.17 2 44.1 15.1 240 -2 0 4 31.549 63.099 0.34 5.16 2 26.4 5.4 241 -4 4 1 31.553 63.106 0.34 5.16 2 10.8 0.9 242 -4 2 0 31.582 63.165 0.34 5.15 2 13.3 1.4 243 -4 1 0 31.676 63.351 0.341 5.12 2 5.9 0.3 244 -3 6 2 31.681 63.363 0.341 5.12 2 13.0 1.3 245 0 7 0 31.754 63.509 0.342 5.09 2 37.7 10.8 246 -4 4 2 31.888 63.777 0.343 5.04 2 16.8 2.1 247 -1 -1 4 31.932 63.864 0.343 5.03 2 29.6 6.6 248 -3 -2 3 31.947 63.894 0.343 5.02 2 0.2 0.0 249 -3 5 3 32.066 64.132 0.345 4.98 2 21.2 3.4 250 -3 6 0 32.134 64.268 0.345 4.96 2 5.6 0.2 251 -4 3 0 32.212 64.423 0.346 4.93 2 10.1 0.8 252 -2 7 0 32.244 64.489 0.346 4.92 2 50.5 18.9 253 -2 3 4 32.298 64.595 0.347 4.91 2 19.0 2.7 254 -4 -1 1 32.324 64.647 0.347 4.9 2 12.1 1.1 255 0 -6 2 32.482 64.965 0.349 4.85 2 10.9 0.9 256 4 0 0 32.488 64.976 0.349 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33.339 66.677 0.357 4.58 2 28.9 5.7 279 -4 3 3 33.381 66.762 0.357 4.57 2 20.2 2.8 280 0 -1 4 33.403 66.806 0.357 4.57 2 20.0 2.8 281 3 -2 2 33.427 66.855 0.358 4.56 2 3.4 0.1 282 3 3 1 33.493 66.986 0.358 4.54 2 2.8 0.1 283 3 0 2 33.5 66.999 0.358 4.54 2 1.8 0.0 284 -1 -2 4 33.532 67.064 0.359 4.53 2 30.8 6.5 285 -3 2 4 33.539 67.078 0.359 4.53 2 13.9 1.3 286 -4 4 0 33.541 67.082 0.359 4.53 2 70.2 33.5 287 -4 5 1 33.543 67.087 0.359 4.53 2 7.8 0.4 288 2 -1 3 33.557 67.114 0.359 4.52 2 9.7 0.6 289 -3 1 4 33.582 67.165 0.359 4.51 2 41.8 11.9 290 2 0 3 33.598 67.197 0.359 4.51 2 72.0 35.1 291 -2 -4 3 33.654 67.307 0.36 4.49 2 7.9 0.4 292 -1 6 3 33.664 67.328 0.36 4.49 2 23.9 3.9 293 3 4 0 33.706 67.413 0.36 4.48 2 18.2 2.2 294 0 2 4 33.74 67.481 0.361 4.47 2 73.4 36.2 295 -4 5 2 33.809 67.617 0.361 4.45 2 10.5 0.7 296 2 4 2 33.899 67.798 0.362 4.43 2 9.5 0.6 297 -1 -6 2 33.9 67.8 0.362 4.43 2 3.9 0.1 298 -2 4 4 33.958 67.915 0.363 4.41 2 21.2 3.0 299 4 1 0 33.992 67.984 0.363 4.4 2 24.3 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343 -2 8 1 36.146 72.292 0.383 3.89 2 54.0 17.0 344 4 2 0 36.147 72.294 0.383 3.89 2 29.2 5.0 345 -4 6 1 36.159 72.318 0.383 3.89 2 24.6 3.5 346 -2 5 4 36.261 72.523 0.384 3.86 2 0.2 0.0 347 1 7 1 36.291 72.582 0.384 3.86 2 6.4 0.2 348 1 -5 3 36.293 72.585 0.384 3.86 2 30.8 5.5 349 -4 5 3 36.306 72.612 0.384 3.86 2 14.3 1.2 350 3 2 2 36.332 72.664 0.385 3.85 2 22.5 2.9 351 2 -6 2 36.348 72.695 0.385 3.85 2 20.7 2.5 352 0 6 3 36.351 72.702 0.385 3.85 2 27.7 4.4 353 4 -3 1 36.352 72.703 0.385 3.85 2 55.1 17.6 354 -4 6 2 36.358 72.716 0.385 3.85 2 29.6 5.0 355 4 0 1 36.44 72.881 0.386 3.83 2 21.9 2.8 356 0 -3 4 36.63 73.26 0.387 3.79 2 9.6 0.5 357 3 4 1 36.687 73.374 0.388 3.78 2 25.7 3.8 358 1 0 4 36.726 73.451 0.388 3.77 2 16.2 1.5 359 -2 8 0 36.884 73.768 0.39 3.74 2 36.6 7.5 360 -2 7 3 36.909 73.819 0.39 3.74 2 19.5 2.1 361 -3 -5 1 36.948 73.896 0.39 3.73 2 39.1 8.6 362 0 8 0 36.975 73.949 0.39 3.72 2 31.2 5.4 363 1 -1 4 37.018 74.035 0.391 3.72 2 15.7 1.4 364 -2 -3 4 37.096 74.192 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39.772 79.544 0.415 3.28 2 19.7 1.9 430 1 7 2 39.824 79.647 0.416 3.28 2 17.0 1.4 431 4 2 1 39.834 79.668 0.416 3.28 2 18.7 1.7 432 -2 2 5 39.845 79.69 0.416 3.27 2 10.0 0.5 433 1 3 4 39.858 79.715 0.416 3.27 2 0.1 0.0 434 1 -6 3 39.863 79.725 0.416 3.27 2 4.4 0.1 435 -5 0 1 39.912 79.825 0.416 3.27 2 8.4 0.3 436 2 7 0 40.021 80.041 0.417 3.25 2 17.5 1.5 437 -3 8 0 40.023 80.046 0.417 3.25 2 16.0 1.3 438 -5 2 3 40.069 80.137 0.418 3.25 2 11.1 0.6 439 -3 6 4 40.137 80.274 0.418 3.24 2 2.3 0.0 440 -1 1 5 40.137 80.275 0.418 3.24 2 17.2 1.4 441 -2 -7 1 40.142 80.285 0.418 3.24 2 3.6 0.1 442 0 5 4 40.145 80.291 0.419 3.24 2 23.5 2.7 443 2 -5 3 40.159 80.319 0.419 3.23 2 11.9 0.7 444 -2 0 5 40.16 80.32 0.419 3.23 2 20.1 2.0 445 -2 -4 4 40.188 80.376 0.419 3.23 2 0.5 0.0 446 1 8 0 40.2 80.399 0.419 3.23 2 3.8 0.1 447 -5 3 3 40.206 80.412 0.419 3.23 2 22.0 2.3 448 2 -7 2 40.25 80.5 0.419 3.22 2 6.0 0.2 449 -1 6 4 40.307 80.614 0.42 3.22 2 21.1 2.2 450 -1 0 5 40.356 80.711 0.42 3.21 2 11.2 0.6 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0.427 3.12 2 45.3 9.6 473 -5 5 1 41.156 82.312 0.427 3.12 2 55.2 14.3 474 -2 8 3 41.17 82.341 0.427 3.12 2 26.9 3.4 475 -5 1 0 41.174 82.348 0.427 3.12 2 55.8 14.6 476 -2 9 1 41.198 82.396 0.428 3.12 2 28.0 3.7 477 -3 2 5 41.208 82.416 0.428 3.12 2 6.4 0.2 478 -1 -1 5 41.228 82.456 0.428 3.11 2 37.6 6.6 479 -1 9 0 41.234 82.467 0.428 3.11 2 7.0 0.2 480 -2 -1 5 41.299 82.599 0.428 3.11 2 20.4 1.9 481 -3 1 5 41.304 82.607 0.428 3.11 2 23.1 2.5 482 -4 7 0 41.357 82.714 0.429 3.1 2 29.0 3.9 483 3 -6 2 41.369 82.738 0.429 3.1 2 17.0 1.4 484 -3 -6 1 41.453 82.907 0.43 3.09 2 0.8 0.0 485 2 6 2 41.478 82.955 0.43 3.09 2 57.1 15.1 486 1 8 1 41.482 82.965 0.43 3.09 2 24.7 2.8 487 -5 -1 2 41.545 83.09 0.43 3.08 2 50.6 11.9 488 -5 -1 1 41.629 83.258 0.431 3.07 2 40.4 7.5 489 -4 -4 2 41.654 83.307 0.431 3.07 2 42.6 8.4 490 -1 3 5 41.666 83.332 0.432 3.07 2 52.6 12.7 491 3 4 2 41.705 83.41 0.432 3.07 2 5.3 0.1 492 4 -1 2 41.727 83.454 0.432 3.06 2 7.6 0.3 493 4 -2 2 41.754 83.508 0.432 3.06 2 35.6 5.8 494 -5 0 3 41.758 83.516 0.432 3.06 2 2.2 0.0 495 -4 7 3 41.764 83.529 0.432 3.06 2 31.0 4.4 496 -3 3 5 41.765 83.53 0.432 3.06 2 39.1 7.0 497 -2 -6 3 41.804 83.607 0.433 3.06 2 38.6 6.8 498 1 -4 4 41.841 83.683 0.433 3.05 2 9.7 0.4 499 -2 9 0 41.965 83.929 0.434 3.04 2 29.7 4.0 500 3 1 3 41.982 83.965 0.434 3.04 2 22.0 2.2 501 2 7 1 42.023 84.046 0.435 3.04 2 17.3 1.4 502 3 6 0 42.051 84.102 0.435 3.03 2 23.5 2.5 503 -3 0 5 42.051 84.102 0.435 3.03 2 24.3 2.7 504 -3 -5 3 42.059 84.118 0.435 3.03 2 6.7 0.2 505 3 -3 3 42.07 84.139 0.435 3.03 2 37.3 6.3 506 -5 4 0 42.082 84.165 0.435 3.03 2 48.4 10.7 507 -1 -5 4 42.084 84.167 0.435 3.03 2 38.1 6.6 508 -2 4 5 42.149 84.298 0.436 3.02 2 31.6 4.5 509 0 -8 2 42.161 84.321 0.436 3.02 2 34.2 5.3 510 -1 8 3 42.163 84.326 0.436 3.02 2 3.9 0.1 511 5 0 0 42.175 84.351 0.436 3.02 2 0.4 0.0 512 1 4 4 42.191 84.383 0.436 3.02 2 1.5 0.0 513 4 -6 1 42.223 84.446 0.436 3.02 2 48.9 10.9 514 -3 8 3 42.258 84.516 0.437 3.02 2 11.1 0.6 515 4 4 0 42.279 84.558 0.437 3.01 2 8.1 0.3 516 4 0 2 42.351 84.702 0.437 3.01 2 21.3 2.1 517 0 -5 4 42.367 84.734 0.437 3.01 2 33.8 5.2 518 -2 -7 2 42.384 84.769 0.438 3.0 2 9.2 0.4 519 1 -8 2 42.402 84.804 0.438 3.0 2 10.3 0.5 520 4 -3 2 42.432 84.864 0.438 3.0 2 18.0 1.5 521 -5 5 3 42.439 84.879 0.438 3.0 2 3.9 0.1 522 4 3 1 42.478 84.956 0.438 3.0 2 13.1 0.8 523 -2 9 2 42.548 85.095 0.439 2.99 2 14.5 0.9 524 2 0 4 42.57 85.141 0.439 2.99 2 5.6 0.1 525 0 9 0 42.582 85.164 0.439 2.99 2 13.9 0.9 526 2 -1 4 42.587 85.174 0.439 2.99 2 14.1 0.9 527 0 0 5 42.632 85.265 0.44 2.98 2 34.6 5.4 528 -2 7 4 42.671 85.342 0.44 2.98 2 17.0 1.3 529 0 1 5 42.681 85.362 0.44 2.98 2 23.3 2.4 530 -1 -2 5 42.747 85.494 0.441 2.97 2 25.4 2.9 531 0 -7 3 42.837 85.674 0.441 2.97 2 39.5 7.0 532 -5 6 2 42.886 85.771 0.442 2.96 2 2.5 0.0 533 -3 -6 2 42.97 85.939 0.442 2.96 2 14.2 0.9 534 -3 4 5 42.971 85.941 0.442 2.96 2 17.9 1.4 535 -4 -2 4 43.012 86.024 0.443 2.95 2 30.1 4.0 536 -2 -2 5 43.082 86.165 0.443 2.95 2 33.2 4.9 537 0 9 1 43.139 86.278 0.444 2.94 2 27.0 3.2 538 -1 9 2 43.14 86.281 0.444 2.94 2 55.6 13.7 539 -4 8 1 43.146 86.292 0.444 2.94 2 33.0 4.8 540 -4 6 4 43.175 86.35 0.444 2.94 2 32.0 4.5 541 2 1 4 43.203 86.406 0.444 2.94 2 17.3 1.3 542 -4 8 2 43.226 86.451 0.445 2.94 2 25.6 2.9 543 0 -1 5 43.233 86.466 0.445 2.94 2 24.2 2.6 544 2 -2 4 43.253 86.506 0.445 2.94 2 46.9 9.7 545 -3 9 1 43.342 86.684 0.446 2.93 2 21.2 2.0 546 -5 6 1 43.355 86.711 0.446 2.93 2 9.4 0.4 547 -3 7 4 43.358 86.717 0.446 2.93 2 1.6 0.0 548 0 2 5 43.379 86.758 0.446 2.93 2 44.8 8.8 549 2 -6 3 43.382 86.763 0.446 2.93 2 23.0 2.3 550 -1 4 5 43.401 86.802 0.446 2.92 2 10.3 0.5 551 -3 -1 5 43.446 86.892 0.446 2.92 2 34.0 5.1 552 1 -9 1 43.449 86.898 0.446 2.92 2 54.1 12.8 553 0 6 4 43.51 87.02 0.447 2.92 2 8.4 0.3 554 3 -8 1 43.514 87.029 0.447 2.92 2 8.8 0.3 555 -5 -1 3 43.572 87.144 0.447 2.91 2 19.4 1.6 556 3 2 3 43.585 87.17 0.448 2.91 2 3.9 0.1 557 4 1 2 43.623 87.246 0.448 2.91 2 1.8 0.0 558 -5 5 0 43.683 87.366 0.448 2.9 2 17.4 1.3 559 3 -4 3 43.715 87.431 0.449 2.9 2 24.8 2.7 560 -1 -7 3 43.743 87.485 0.449 2.9 2 36.3 5.8 561 4 -4 2 43.757 87.514 0.449 2.9 2 15.2 1.0 562 -3 -4 4 43.797 87.594 0.449 2.9 2 11.6 0.6 563 2 5 3 43.805 87.609 0.449 2.9 2 28.6 3.6 564 5 1 0 43.822 87.644 0.449 2.9 2 4.5 0.1 565 -2 -5 4 43.873 87.745 0.45 2.89 2 22.2 2.1 566 -5 -2 2 43.953 87.907 0.451 2.89 2 16.0 1.1 567 -5 -2 1 43.982 87.963 0.451 2.89 2 11.7 0.6 568 -1 -8 2 43.991 87.982 0.451 2.88 2 30.6 4.1 569 1 -7 3 44.002 88.003 0.451 2.88 2 46.7 9.4 570 -3 9 2 44.026 88.052 0.451 2.88 2 34.4 5.1 571 -5 2 4 44.05 88.099 0.451 2.88 2 11.4 0.6 572 -1 7 4 44.054 88.108 0.451 2.88 2 13.9 0.8 573 -5 3 4 44.13 88.261 0.452 2.88 2 14.4 0.9 574 0 -9 1 44.131 88.263 0.452 2.88 2 5.0 0.1 575 -2 5 5 44.266 88.532 0.453 2.87 2 22.6 2.2 576 0 -2 5 44.481 88.962 0.455 2.86 2 2.7 0.0 577 2 2 4 44.483 88.966 0.455 2.86 2 22.9 2.3 578 -4 -4 3 44.504 89.009 0.455 2.85 2 27.4 3.2 579 -5 6 3 44.521 89.043 0.455 2.85 2 9.5 0.4 580 2 -3 4 44.566 89.133 0.456 2.85 2 29.4 3.7 581 -5 1 4 44.617 89.234 0.456 2.85 2 3.5 0.1 582 -4 2 5 44.631 89.262 0.456 2.85 2 16.0 1.1 583 2 -8 2 44.712 89.424 0.457 2.84 2 42.4 7.7 584 1 -5 4 44.719 89.438 0.457 2.84 2 38.3 6.3 585 0 3 5 44.724 89.448 0.457 2.84 2 28.6 3.5 586 3 6 1 44.752 89.505 0.457 2.84 2 20.5 1.8 587 -3 9 0 44.762 89.525 0.457 2.84 2 9.3 0.4 588 -3 5 5 44.821 89.641 0.458 2.84 2 0.7 0.0 589 2 -9 1 44.834 89.668 0.458 2.84 2 20.1 1.7 590 -5 4 4 44.859 89.717 0.458 2.84 2 12.6 0.7 591 1 8 2 44.863 89.726 0.458 2.84 2 17.6 1.3 592 -1 -3 5 44.908 89.815 0.458 2.83 2 32.4 4.5 593 3 -7 2 44.908 89.816 0.458 2.83 2 18.0 1.4 594 -4 3 5 44.92 89.84 0.458 2.83 2 34.5 5.1 595 -4 -5 1 44.946 89.891 0.459 2.83 2 10.6 0.5 596 -4 1 5 44.99 89.979 0.459 2.83 2 10.6 0.5 X-ray diffraction powder data (I)...X-Ray wave length = 1.54056 (angs.): No H K L Theta 2*Theta d I int I int.n. I p.h.n. H(Si) ( degree ) (angstrem) *100 *100 1 0 1 0 4.312 8.623 10.24546 28.6 3.3 3.3 5.6 2 1 0 0 7.717 15.434 5.73635 233.3 26.9 27.0 5.6 3 0 0 1 7.785 15.57 5.68648 131.2 15.1 15.2 5.6 4 -1 1 0 7.94 15.88 5.57633 419.7 48.4 48.5 5.6 5 0 2 0 8.648 17.296 5.12273 48.1 5.5 5.6 5.6 6 0 1 1 8.731 17.461 5.07462 200.5 23.1 23.2 5.6 7 -1 1 1 9.093 18.186 4.87394 866.3 100.0 100.0 5.6 8 1 1 0 9.682 19.365 4.57994 99.0 11.4 11.4 5.6 9 -1 2 0 10.213 20.425 4.34449 67.9 7.8 7.8 5.6 10 -1 -1 1 10.953 21.907 4.05387 94.6 10.9 10.9 5.6 11 -1 2 1 10.994 21.988 4.03901 12.2 1.4 1.4 5.6 12 0 2 1 11.395 22.791 3.89863 335.7 38.7 38.6 5.6 13 0 -2 1 11.951 23.902 3.71979 499.1 57.6 57.4 5.6 14 1 0 1 12.638 25.277 3.52052 10.4 1.2 1.2 5.6 15 1 2 0 12.901 25.802 3.4501 126.9 14.7 14.6 5.6 16 0 3 0 13.035 26.07 3.41515 44.3 5.1 5.1 5.6 17 -1 3 0 13.575 27.151 3.28166 126.9 14.6 14.6 5.6 18 1 1 1 13.833 27.666 3.22165 346.8 40.0 39.8 5.6 19 -1 -2 1 14.012 28.024 3.18131 111.8 12.9 12.8 5.6 20 1 -2 1 14.56 29.12 3.06405 188.0 21.7 21.5 5.6 21 0 3 1 14.925 29.851 2.99067 60.0 6.9 6.9 5.6 22 -1 1 2 15.067 30.133 2.96326 23.1 2.7 2.6 5.6 23 -2 1 0 15.181 30.361 2.94154 44.8 5.2 5.1 5.6 24 -2 2 1 15.315 30.631 2.91625 309.5 35.7 35.4 5.6 25 2 0 0 15.579 31.157 2.86817 165.5 19.1 18.9 5.6 26 0 1 2 16.124 32.248 2.77362 86.3 10.0 9.9 5.6 27 -1 2 2 16.218 32.436 2.75799 86.5 10.0 9.9 5.6 28 -1 -1 2 16.495 32.991 2.71286 218.6 25.2 25.0 5.6 29 0 -1 2 16.532 33.064 2.70699 13.9 1.6 1.6 5.6 30 1 3 0 16.714 33.428 2.67834 319.6 36.9 36.5 5.7 31 2 1 0 17.153 34.307 2.61175 14.4 1.7 1.6 5.7 32 1 -3 1 17.238 34.476 2.59929 29.3 3.4 3.3 5.7 33 -1 4 0 17.464 34.927 2.56676 59.8 6.9 6.8 5.7 34 -1 4 1 17.763 35.526 2.52487 20.7 2.4 2.4 5.7 35 -2 3 0 17.989 35.978 2.49413 48.0 5.5 5.5 5.7 36 -2 2 2 18.426 36.852 2.43697 242.1 27.9 27.5 5.7 37 -1 -2 2 18.823 37.646 2.38737 26.4 3.1 3.0 5.7 38 0 4 1 18.902 37.804 2.37777 47.0 5.4 5.3 5.7 39 1 3 1 19.339 38.679 2.32598 56.5 6.5 6.4 5.7 40 0 -4 1 19.609 39.219 2.29519 15.5 1.8 1.8 5.7 41 2 2 0 19.656 39.312 2.28997 33.2 3.8 3.8 5.7 42 1 0 2 19.77 39.54 2.27727 14.1 1.6 1.6 5.7 43 -2 3 2 20.006 40.011 2.25153 107.2 12.4 12.2 5.7 44 1 -1 2 20.036 40.072 2.24826 24.7 2.8 2.8 5.7 45 2 -2 1 20.231 40.461 2.22752 14.3 1.6 1.6 5.7 46 -2 4 0 20.769 41.538 2.17224 88.5 10.2 10.0 5.7 47 2 1 1 20.908 41.816 2.15844 35.4 4.1 4.0 5.7 48 0 -3 2 21.137 42.274 2.1361 13.1 1.5 1.5 5.7 49 -3 1 1 21.727 43.454 2.08079 11.4 1.3 1.3 5.7 50 -1 5 1 21.839 43.677 2.07067 46.4 5.4 5.2 5.7 51 -1 -3 2 21.881 43.762 2.06688 18.5 2.1 2.1 5.7 52 0 5 0 22.081 44.161 2.04909 9.8 1.1 1.1 5.7 53 -2 4 2 22.422 44.843 2.0195 60.8 7.0 6.9 5.7 54 -2 -3 1 22.695 45.39 1.99645 9.1 1.0 1.0 5.7 55 2 3 0 22.836 45.671 1.9848 31.5 3.6 3.5 5.7 56 2 2 1 22.991 45.982 1.97212 165.1 19.1 18.6 5.7 57 -3 1 0 23.116 46.231 1.96205 38.1 4.4 4.3 5.7 58 0 4 2 23.276 46.551 1.94931 41.0 4.7 4.6 5.7 59 -3 1 2 23.315 46.63 1.9462 31.6 3.7 3.6 5.7 60 1 -3 2 23.362 46.724 1.94253 64.1 7.4 7.2 5.7 61 -1 -1 3 23.721 47.442 1.91476 40.3 4.7 4.5 5.7 62 0 -5 1 23.925 47.85 1.89939 25.2 2.9 2.8 5.7 63 0 0 3 23.977 47.955 1.89549 79.7 9.2 9.0 5.7 64 -3 -1 1 24.088 48.176 1.88731 17.1 2.0 1.9 5.7 65 0 1 3 24.19 48.381 1.87979 10.1 1.2 1.1 5.7 66 -2 0 3 24.221 48.442 1.87754 125.4 14.5 14.1 5.7 67 -3 3 2 24.381 48.762 1.86598 68.8 7.9 7.7 5.7 68 2 -4 1 24.42 48.84 1.86318 36.2 4.2 4.1 5.7 69 0 -4 2 24.466 48.932 1.8599 82.9 9.6 9.3 5.7 70 1 3 2 24.603 49.205 1.85019 63.5 7.3 7.1 5.7 71 -1 3 3 24.888 49.776 1.83032 39.9 4.6 4.5 5.7 72 -3 4 1 24.918 49.837 1.82823 14.2 1.6 1.6 5.7 73 3 1 0 25.234 50.468 1.80684 19.9 2.3 2.2 5.8 74 -1 -2 3 25.569 51.138 1.78472 15.1 1.7 1.7 5.8 75 -3 -1 2 25.703 51.407 1.77601 9.8 1.1 1.1 5.8 76 2 -1 2 25.832 51.663 1.7678 35.2 4.1 3.9 5.8 77 2 0 2 25.951 51.901 1.76026 30.7 3.5 3.4 5.8 78 0 -2 3 26.098 52.196 1.75102 9.4 1.1 1.1 5.8 79 -1 -5 1 26.134 52.268 1.74875 72.1 8.3 8.1 5.8 80 -3 4 0 26.385 52.769 1.73332 9.0 1.0 1.0 5.8 81 -2 -4 1 26.464 52.928 1.72848 34.0 3.9 3.8 5.8 82 2 -2 2 26.531 53.063 1.72442 38.2 4.4 4.3 5.8 83 0 6 0 26.814 53.628 1.70758 8.7 1.0 1.0 5.8 84 1 5 1 27.091 54.182 1.69143 33.4 3.9 3.7 5.8 85 3 -1 1 27.128 54.255 1.68931 9.5 1.1 1.1 5.8 86 -1 4 3 27.218 54.436 1.68413 9.0 1.0 1.0 5.8 87 -2 6 1 27.273 54.546 1.68098 27.7 3.2 3.1 5.8 88 -2 4 3 27.303 54.605 1.6793 18.6 2.1 2.1 5.8 89 -3 1 3 27.482 54.964 1.66919 33.9 3.9 3.8 5.8 90 -3 5 1 27.528 55.057 1.66659 73.7 8.5 8.2 5.8 91 -2 6 0 27.998 55.997 1.64083 10.2 1.2 1.1 5.8 92 -1 -3 3 28.112 56.224 1.63474 47.3 5.5 5.3 5.8 93 -3 3 3 28.302 56.604 1.62465 44.6 5.2 5.0 5.8 94 0 -6 1 28.495 56.989 1.61459 30.0 3.5 3.3 5.8 95 2 2 2 28.567 57.135 1.61082 10.7 1.2 1.2 5.8 96 3 1 1 28.903 57.806 1.5937 40.1 4.6 4.5 5.8 97 -2 -4 2 28.964 57.927 1.59066 63.8 7.4 7.1 5.8 98 -2 6 2 29.083 58.167 1.58467 37.6 4.3 4.2 5.8 99 2 4 1 29.124 58.248 1.58266 49.1 5.7 5.4 5.8 100 1 -5 2 29.489 58.978 1.56479 39.2 4.5 4.3 5.8 101 1 2 3 29.581 59.162 1.56035 14.1 1.6 1.6 5.8 102 -4 2 1 29.651 59.302 1.55701 38.9 4.5 4.3 5.8 103 -3 4 3 29.845 59.691 1.5478 18.0 2.1 2.0 5.8 104 1 6 0 29.943 59.885 1.54323 12.5 1.4 1.4 5.8 105 -4 2 2 30.126 60.252 1.53473 10.9 1.3 1.2 5.8 106 -1 5 3 30.17 60.341 1.53268 23.6 2.7 2.6 5.8 107 3 3 0 30.302 60.604 1.52665 23.1 2.7 2.6 5.8 108 -2 -5 1 30.633 61.267 1.51171 18.5 2.1 2.0 5.8 109 -4 0 1 30.715 61.43 1.50809 33.6 3.9 3.7 5.8 110 -1 1 4 30.843 61.686 1.50243 60.7 7.0 6.7 5.8 111 1 -3 3 30.876 61.753 1.50098 12.9 1.5 1.4 5.8 112 0 6 2 31.006 62.011 1.49533 16.0 1.8 1.8 5.8 113 -2 1 4 31.072 62.144 1.49246 18.4 2.1 2.0 5.8 114 2 -6 1 31.143 62.287 1.48938 30.7 3.5 3.4 5.8 115 1 5 2 31.25 62.5 1.48481 10.2 1.2 1.1 5.8 116 -2 2 4 31.325 62.649 1.48163 32.2 3.7 3.6 5.8 117 1 3 3 31.543 63.087 1.47241 27.2 3.1 3.0 5.9 118 0 7 0 31.754 63.509 1.46364 10.8 1.3 1.2 5.9 119 -2 7 0 32.244 64.489 1.44374 18.9 2.2 2.1 5.9 120 4 0 0 32.488 64.976 1.43409 23.6 2.7 2.6 5.9 121 3 -1 2 33.111 66.221 1.41011 19.4 2.2 2.1 5.9 122 -1 7 2 33.195 66.389 1.40694 30.8 3.6 3.4 5.9 123 -4 4 0 33.541 67.082 1.39408 42.4 4.9 4.6 5.9 124 2 0 3 33.598 67.197 1.39198 47.0 5.4 5.1 5.9 125 0 2 4 33.74 67.481 1.38681 36.2 4.2 4.0 5.9 126 -4 0 3 34.188 68.375 1.37084 21.7 2.5 2.4 5.9 127 -4 4 3 34.511 69.022 1.35955 15.6 1.8 1.7 5.9 128 -2 -2 4 34.602 69.204 1.35643 25.5 2.9 2.8 5.9 129 -3 -3 3 34.753 69.505 1.35129 16.2 1.9 1.8 5.9 130 1 7 0 34.892 69.784 1.34657 11.2 1.3 1.2 5.9 131 2 6 0 35.113 70.226 1.33917 12.1 1.4 1.3 5.9 132 -2 -6 1 35.182 70.364 1.33689 25.8 3.0 2.8 5.9 133 -4 -2 2 35.258 70.517 1.33436 21.3 2.5 2.3 5.9 134 4 -2 1 35.7 71.401 1.32 17.4 2.0 1.9 5.9 135 -3 -1 4 35.745 71.49 1.31857 15.2 1.8 1.7 5.9 136 -3 7 0 35.825 71.65 1.31601 26.3 3.0 2.9 5.9 137 -2 8 1 36.146 72.292 1.30591 25.6 3.0 2.8 5.9 138 -4 6 2 36.358 72.716 1.29932 32.5 3.8 3.5 6.0 139 -2 8 0 36.884 73.768 1.28338 9.7 1.1 1.0 6.0 140 -3 -5 1 36.948 73.896 1.28147 14.0 1.6 1.5 6.0 141 1 1 4 37.108 74.216 1.27674 29.7 3.4 3.2 6.0 142 -1 5 4 37.151 74.303 1.27546 13.9 1.6 1.5 6.0 143 0 4 4 37.385 74.769 1.26865 11.5 1.3 1.2 6.0 144 -2 -5 3 37.469 74.938 1.26622 14.9 1.7 1.6 6.0 145 -3 5 4 37.525 75.05 1.26461 33.1 3.8 3.6 6.0 146 0 8 1 37.608 75.216 1.26222 12.0 1.4 1.3 6.0 147 -1 7 3 37.659 75.317 1.26078 9.6 1.1 1.0 6.0 148 -4 2 4 37.839 75.677 1.25567 33.7 3.9 3.6 6.0 149 -4 -2 3 38.112 76.224 1.24803 18.7 2.2 2.0 6.0 150 3 -5 2 38.44 76.88 1.23899 27.9 3.2 3.0 6.0 151 -1 -7 2 38.709 77.418 1.23173 12.7 1.5 1.4 6.0 152 3 5 1 40.434 80.869 1.18764 8.9 1.0 0.9 6.1 153 -5 1 3 40.588 81.176 1.18393 12.2 1.4 1.3 6.1 154 3 -1 3 40.72 81.44 1.18075 13.9 1.6 1.5 6.1 155 -4 -3 3 41.004 82.009 1.174 10.0 1.2 1.1 6.1 156 -5 5 1 41.156 82.312 1.17044 28.3 3.3 3.0 6.1 157 -2 9 1 41.198 82.396 1.16946 28.5 3.3 3.0 6.1 158 2 6 2 41.478 82.955 1.16299 18.0 2.1 1.9 6.1 159 -5 -1 2 41.545 83.09 1.16145 11.9 1.4 1.3 6.1 160 -4 -4 2 41.654 83.307 1.15897 28.6 3.3 3.0 6.1 161 -3 3 5 41.765 83.53 1.15645 17.3 2.0 1.8 6.1 162 -1 -5 4 42.084 84.167 1.1493 23.6 2.7 2.5 6.1 163 0 -8 2 42.161 84.321 1.1476 9.9 1.1 1.0 6.1 164 4 -6 1 42.223 84.446 1.14622 10.9 1.3 1.1 6.1 165 -4 8 1 43.146 86.292 1.12638 27.6 3.2 2.9 6.1 166 2 -2 4 43.253 86.506 1.12413 15.2 1.8 1.6 6.1 167 0 2 5 43.379 86.758 1.12151 11.6 1.3 1.2 6.1 168 1 -9 1 43.449 86.898 1.12007 17.9 2.1 1.9 6.1 169 -1 -7 3 43.743 87.485 1.11405 9.5 1.1 1.0 6.2 170 1 -7 3 44.002 88.003 1.10883 20.0 2.3 2.1 6.2 171 2 -8 2 44.712 89.424 1.09486 17.4 2.0 1.8 6.2 172 -4 3 5 44.92 89.84 1.09086 10.9 1.3 1.1 6.2 Reference: Chichagov A.V. et al. Information-Calculating System on Crystal Structure Data of Minerals (MINCRYST) - Kristallographiya, v.35, n.3, 1990, p.610-616 (in Russian) |