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 *** *********************** BRACKEBUSCHITE 1, s-brackebuschite Pb(2)(Mn,Fe)[VO(4)](2).[H(2)O] Monoclinic P 2(1)/m Z = 2 P2(1)/m 30 .5 .1991 Ref.Str.: Wyckoff R.W.G. (1963) * Crystal Structures, 3, 187 Reserv: [H(2)O] = xH(2)O Initial data from BDM-file Lattice parameters (cub. angs.,degr.): a = 7.681 alpha = 90.0 b = 6.155 beta = 93.75 c = 16.524 gamma = 90.0 Unit cell volume (cub. angs.) = 779.53 Molar volume ( cub.cm/mol.) = 234.77 Co-ordinates, thermal parameters, occupation for atomic positions: NoP x/a y/b z/c B(j) atom / occupation 1 0.1149 0.25 0.3745 0.0 Pb = 1.00 2 0.6233 0.25 0.2989 0.0 Pb = 1.00 3 0.6462 0.25 0.0865 0.0 V = 1.00 4 0.1233 0.25 0.0 0.0 V = 1.00 5 0.0 0.0 0.0 0.0 Mn = 1.00 6 0.114 0.023 0.104 0.0 O = 1.00 7 0.941 0.25 0.23 0.0 O = 1.00 8 0.299 0.25 0.247 0.0 O = 1.00 9 0.632 0.023 0.145 0.0 O = 1.00 10 0.455 0.25 0.017 0.0 O = 1.00 11 0.846 0.25 0.024 0.0 O = 1.00 Co-ordinates for all atomic positions : No NoP x/a y/b z/c 1 1 0.1149 0.25 0.3745 2 2 0.6233 0.25 0.2989 3 3 0.6462 0.25 0.0865 4 4 0.1233 0.25 0.0 5 5 0.0 0.0 0.0 6 6 0.114 0.023 0.104 7 7 0.941 0.25 0.23 8 8 0.299 0.25 0.247 9 9 0.632 0.023 0.145 10 10 0.455 0.25 0.017 11 11 0.846 0.25 0.024 12 1 0.8851 0.75 0.6255 13 2 0.3767 0.75 0.7011 14 3 0.3538 0.75 0.9135 15 4 0.8767 0.75 0.0 16 5 0.0 0.5 0.0 17 6 0.886 0.523 0.896 18 7 0.059 0.75 0.77 19 8 0.701 0.75 0.753 20 9 0.368 0.523 0.855 21 10 0.545 0.75 0.983 22 11 0.154 0.75 0.976 23 6 0.114 0.477 0.104 24 9 0.632 0.477 0.145 25 6 0.886 0.977 0.896 26 9 0.368 0.977 0.855 X-ray density (g/cm cub.) = 2.98 MU (1/cm) = 748.023 Mass attenuation coefficient (cm**2/g) = 251.188 Selected interatomic distances (cation-anion,anion-anion): NoP Atom Rad.sph. C.N. Distance NoP N. (angs.) (angs.) 1 Pb 3.144 2 2.6586 7 2.613 8 2 Pb 3.144 4 2.7594 7 2.5809 8 2.9062 9 2.9062 9 3 V 2.496 4 1.7065 9 1.8042 10 1.905 11 1.7065 9 4 V 2.496 3 2.2196 6 2.1919 11 2.2196 6 5 Mn 2.724 4 1.8823 6 1.9964 11 1.9964 11 1.8823 6 6 O 3.264 5 2.9008 7 3.0192 8 2.7534 11 2.7343 11 2.7944 6 7 O 3.264 5 2.9008 6 2.7458 8 3.0203 9 2.9008 6 3.0203 9 8 O 3.264 3 3.0192 6 2.7458 7 3.0192 6 9 O 3.264 5 3.0203 7 2.8103 10 3.0136 11 3.194 10 2.7944 9 10 O 3.264 7 2.8103 9 2.9979 11 3.194 9 3.2117 10 3.2117 10 2.8103 9 3.194 9 11 O 3.264 7 2.7534 6 3.0136 9 2.9979 10 2.7343 6 2.7534 6 3.0136 9 2.7343 6 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 3.11 6.219 0.03 676.64 2 32.8 239.3 2 0 0 2 6.229 12.457 0.061 166.94 2 31.2 53.5 3 1 0 0 6.702 13.403 0.065 143.89 2 63.3 190.0 4 1 0 -1 7.206 14.412 0.07 124.16 2 38.5 60.5 5 1 0 1 7.578 15.155 0.074 112.06 2 49.8 91.5 6 1 0 -2 8.862 17.724 0.086 81.33 2 77.4 160.3 7 0 1 1 8.924 17.847 0.087 80.19 4 318.9 5369.2 8 0 0 3 9.366 18.732 0.091 72.59 2 298.1 2123.4 9 1 0 2 9.466 18.931 0.092 71.02 2 218.4 1115.2 10 0 1 2 10.449 20.897 0.101 57.9 4 194.4 1440.4 11 1 1 0 10.742 21.483 0.104 54.67 4 8.9 2.9 12 1 1 -1 11.068 22.136 0.107 51.37 4 20.9 14.8 13 1 0 -3 11.184 22.368 0.108 50.27 2 169.9 477.3 14 1 1 1 11.317 22.634 0.11 49.04 4 71.5 165.2 15 1 0 3 11.91 23.819 0.115 44.08 2 41.2 24.7 16 1 1 -2 12.227 24.454 0.118 41.72 4 150.5 621.9 17 0 0 4 12.532 25.064 0.121 39.61 2 41.0 22.0 18 0 1 3 12.602 25.205 0.122 39.15 4 37.3 35.8 19 1 1 2 12.678 25.355 0.123 38.66 4 16.6 7.0 20 2 0 0 13.497 26.995 0.13 33.87 2 64.0 45.7 21 2 0 -1 13.659 27.318 0.132 33.02 2 314.4 1074.4 22 1 0 -4 13.861 27.722 0.134 32.01 2 174.9 322.2 23 1 1 -3 14.026 28.052 0.135 31.21 4 108.2 240.4 24 2 0 1 14.067 28.134 0.136 31.02 2 251.8 647.6 25 2 0 -2 14.529 29.058 0.14 28.96 2 116.5 129.4 26 1 1 3 14.62 29.239 0.141 28.57 4 124.2 290.2 27 1 0 4 14.656 29.312 0.141 28.42 2 33.3 10.4 28 0 1 4 15.139 30.277 0.146 26.52 4 174.0 528.4 29 2 0 2 15.292 30.584 0.147 25.95 2 205.9 362.1 30 0 0 5 15.738 31.476 0.152 24.39 2 0.6 0.0 31 2 1 0 15.959 31.918 0.154 23.67 4 328.7 1683.6 32 2 0 -3 16.002 32.004 0.154 23.53 2 148.5 170.8 33 2 1 -1 16.098 32.195 0.155 23.23 4 112.9 195.0 34 1 1 -4 16.272 32.544 0.157 22.7 4 26.7 10.6 35 2 1 1 16.45 32.901 0.158 22.17 4 90.2 118.8 36 1 0 -5 16.749 33.498 0.161 21.32 2 182.9 234.7 37 2 1 -2 16.853 33.706 0.162 21.03 4 50.2 34.9 38 0 2 0 16.897 33.793 0.162 20.92 2 316.6 690.1 39 1 1 4 16.964 33.929 0.163 20.74 4 206.0 579.1 40 2 0 3 17.046 34.092 0.164 20.52 2 23.7 3.8 41 0 2 1 17.197 34.395 0.165 20.13 4 133.3 235.5 42 2 1 2 17.525 35.051 0.168 19.32 4 98.9 124.3 43 1 0 5 17.59 35.18 0.169 19.16 2 308.3 599.3 44 0 1 5 17.921 35.843 0.172 18.39 4 52.3 33.1 45 2 0 -4 17.946 35.891 0.172 18.34 2 189.3 216.2 46 0 2 2 18.073 36.147 0.173 18.06 4 111.6 148.1 47 2 1 -3 18.157 36.315 0.174 17.87 4 222.5 582.7 48 1 2 0 18.252 36.504 0.175 17.67 4 30.1 10.6 49 1 2 -1 18.455 36.91 0.177 17.25 4 116.9 155.0 50 1 2 1 18.612 37.225 0.178 16.93 4 54.4 33.0 51 1 1 -5 18.829 37.658 0.18 16.5 4 284.5 878.8 52 0 0 6 18.995 37.99 0.182 16.18 2 76.2 30.9 53 2 1 3 19.098 38.196 0.183 15.99 4 231.7 565.3 54 2 0 4 19.203 38.406 0.184 15.8 2 126.0 82.6 55 1 2 -2 19.205 38.41 0.184 15.79 4 23.2 5.6 56 0 2 3 19.457 38.915 0.186 15.34 4 249.9 630.9 57 1 2 2 19.509 39.017 0.187 15.26 4 96.2 93.0 58 1 1 5 19.593 39.185 0.187 15.11 4 119.6 142.4 59 1 0 -6 19.786 39.572 0.189 14.78 2 208.1 210.7 60 2 1 -4 19.918 39.835 0.19 14.57 4 106.8 109.3 61 2 0 -5 20.247 40.494 0.193 14.05 2 68.5 21.7 62 1 2 -3 20.452 40.904 0.195 13.73 4 46.8 19.8 63 3 0 0 20.494 40.987 0.196 13.67 2 64.3 18.6 64 3 0 -1 20.534 41.067 0.196 13.61 2 14.6 1.0 65 1 0 6 20.664 41.328 0.197 13.42 2 160.8 114.2 66 0 1 6 20.882 41.765 0.199 13.11 4 21.3 3.9 67 1 2 3 20.883 41.766 0.199 13.11 4 116.3 116.8 68 3 0 1 20.963 41.927 0.2 13.0 2 88.1 33.2 69 2 1 4 21.075 42.15 0.201 12.84 4 114.8 111.5 70 3 0 -2 21.081 42.162 0.201 12.84 2 149.8 94.8 71 0 2 4 21.267 42.533 0.203 12.59 4 39.0 12.6 72 1 1 -6 21.616 43.232 0.206 12.13 4 197.8 312.6 73 2 0 5 21.668 43.335 0.206 12.07 2 189.3 142.4 74 2 2 0 21.886 43.772 0.208 11.8 4 21.2 3.5 75 3 0 2 21.916 43.832 0.209 11.76 2 21.6 1.8 76 2 2 -1 21.992 43.985 0.209 11.67 4 146.3 164.5 77 2 1 -5 22.046 44.091 0.21 11.61 4 43.8 14.7 78 3 0 -3 22.105 44.21 0.21 11.54 2 161.7 99.3 79 1 2 -4 22.126 44.253 0.211 11.51 4 264.7 530.8 80 2 2 1 22.264 44.529 0.212 11.35 4 249.5 465.2 81 3 1 0 22.276 44.552 0.212 11.34 4 14.4 1.6 82 3 1 -1 22.313 44.626 0.212 11.3 4 93.7 65.2 83 0 0 7 22.317 44.634 0.212 11.29 2 81.4 24.6 84 1 1 6 22.435 44.87 0.213 11.16 4 212.3 331.0 85 2 2 -2 22.578 45.156 0.215 11.0 4 271.4 533.4 86 1 2 4 22.665 45.33 0.215 10.91 4 11.6 1.0 87 3 1 1 22.716 45.431 0.216 10.85 4 29.3 6.1 88 2 0 -6 22.825 45.65 0.217 10.73 2 4.2 0.1 89 3 1 -2 22.826 45.652 0.217 10.73 4 74.3 39.0 90 1 0 -7 22.948 45.896 0.218 10.6 2 238.0 197.6 91 2 2 2 23.108 46.217 0.219 10.44 4 194.9 260.9 92 3 0 3 23.304 46.608 0.221 10.24 2 150.0 75.8 93 2 1 5 23.378 46.756 0.222 10.17 4 74.0 36.6 94 0 2 5 23.425 46.85 0.222 10.12 4 28.0 5.2 95 3 0 -4 23.556 47.112 0.223 9.99 2 20.4 1.4 96 3 1 2 23.612 47.224 0.224 9.94 4 163.5 174.9 97 2 2 -3 23.615 47.229 0.224 9.94 4 3.0 0.1 98 3 1 -3 23.79 47.58 0.225 9.77 4 134.2 115.9 99 1 0 7 23.859 47.718 0.226 9.71 2 17.5 1.0 100 0 1 7 23.991 47.981 0.227 9.59 4 41.4 10.8 101 1 2 -5 24.161 48.321 0.229 9.44 4 94.8 55.8 102 2 0 6 24.377 48.754 0.231 9.25 2 94.7 27.3 103 2 2 3 24.381 48.762 0.231 9.24 4 40.3 9.9 104 2 1 -6 24.472 48.943 0.232 9.16 4 18.8 2.1 105 1 1 -7 24.588 49.177 0.233 9.07 4 12.4 0.9 106 1 2 5 24.79 49.579 0.234 8.9 4 267.3 418.6 107 3 1 3 24.927 49.854 0.236 8.79 4 65.6 24.9 108 2 2 -4 25.06 50.12 0.237 8.68 4 104.1 61.9 109 3 0 4 25.074 50.147 0.237 8.67 2 176.3 88.7 110 3 1 -4 25.166 50.333 0.238 8.6 4 218.6 270.5 111 3 0 -5 25.38 50.761 0.24 8.44 2 241.6 162.0 112 1 1 7 25.455 50.91 0.24 8.38 4 220.6 268.3 113 2 0 -7 25.628 51.256 0.242 8.25 2 25.1 1.7 114 0 0 8 25.72 51.44 0.243 8.18 2 129.2 45.0 115 0 2 6 25.872 51.744 0.244 8.07 4 0.6 0.0 116 2 1 6 25.949 51.898 0.245 8.02 4 60.8 19.5 117 2 2 4 26.036 52.071 0.245 7.96 4 187.1 183.3 118 0 3 1 26.061 52.122 0.246 7.94 4 244.7 313.1 119 1 0 -8 26.229 52.458 0.247 7.83 2 166.5 71.4 120 1 2 -6 26.498 52.996 0.249 7.65 4 161.7 131.6 121 3 1 4 26.616 53.232 0.25 7.57 4 28.4 4.0 122 0 3 2 26.697 53.393 0.251 7.52 4 188.2 175.4 123 1 3 0 26.828 53.656 0.252 7.43 4 6.8 0.2 124 2 2 -5 26.867 53.735 0.253 7.41 4 84.1 34.5 125 3 1 -5 26.91 53.82 0.253 7.38 4 132.5 85.3 126 1 3 -1 26.978 53.957 0.254 7.34 4 16.3 1.3 127 3 2 0 27.066 54.133 0.254 7.29 4 19.5 1.8 128 1 3 1 27.096 54.191 0.255 7.27 4 60.7 17.6 129 3 2 -1 27.099 54.198 0.255 7.27 4 56.3 15.2 130 2 1 -7 27.148 54.295 0.255 7.24 4 22.3 2.4 131 3 0 5 27.173 54.347 0.255 7.22 2 64.7 9.9 132 1 0 8 27.175 54.349 0.255 7.22 2 293.8 205.1 133 1 2 6 27.204 54.409 0.256 7.2 4 177.8 149.9 134 0 1 8 27.236 54.473 0.256 7.18 4 58.1 16.0 135 2 0 7 27.293 54.587 0.256 7.15 2 82.9 16.2 136 3 2 1 27.448 54.897 0.258 7.06 4 11.6 0.6 137 3 0 -6 27.527 55.055 0.258 7.01 2 199.8 92.1 138 1 3 -2 27.541 55.082 0.258 7.0 4 128.3 75.9 139 3 2 -2 27.545 55.089 0.259 7.0 4 201.6 187.4 140 1 1 -8 27.726 55.452 0.26 6.9 4 246.4 275.7 141 0 3 3 27.733 55.466 0.26 6.89 4 20.1 1.8 142 1 3 2 27.772 55.544 0.26 6.87 4 11.6 0.6 143 4 0 -1 27.801 55.603 0.261 6.86 2 103.8 24.3 144 4 0 0 27.827 55.654 0.261 6.84 2 309.4 215.6 145 2 2 5 28.027 56.055 0.263 6.73 4 67.2 20.0 146 4 0 -2 28.183 56.365 0.264 6.65 2 44.1 4.3 147 3 2 2 28.233 56.466 0.264 6.62 4 65.0 18.4 148 4 0 1 28.259 56.518 0.265 6.61 2 62.0 8.4 149 3 2 -3 28.39 56.781 0.266 6.54 4 82.6 29.4 150 1 3 -3 28.5 57.001 0.267 6.48 4 93.1 37.0 151 0 2 7 28.567 57.135 0.267 6.45 4 24.9 2.6 152 2 0 -8 28.628 57.257 0.268 6.41 2 97.5 20.1 153 3 1 5 28.636 57.273 0.268 6.41 4 260.4 286.0 154 1 1 8 28.638 57.275 0.268 6.41 4 132.3 73.9 155 2 1 7 28.752 57.504 0.269 6.35 4 22.1 2.0 156 1 3 3 28.839 57.677 0.27 6.31 4 100.0 41.5 157 4 0 -3 28.96 57.921 0.271 6.25 2 155.9 50.0 158 3 1 -6 28.979 57.957 0.271 6.24 4 187.5 144.4 159 2 2 -6 28.994 57.988 0.271 6.23 4 4.3 0.1 160 4 0 2 29.085 58.17 0.272 6.19 2 140.2 40.0 161 1 2 -7 29.098 58.196 0.272 6.18 4 233.5 222.0 162 0 3 4 29.142 58.285 0.272 6.16 4 148.9 90.0 163 0 0 9 29.224 58.448 0.273 6.12 2 40.7 3.3 164 4 1 -1 29.244 58.487 0.273 6.11 4 183.8 135.9 165 4 1 0 29.268 58.537 0.273 6.1 4 21.9 1.9 166 3 2 3 29.4 58.8 0.274 6.04 4 166.2 109.8 167 3 0 6 29.562 59.125 0.276 5.97 2 183.1 65.9 168 4 1 -2 29.613 59.226 0.276 5.94 4 180.7 127.7 169 3 2 -4 29.614 59.229 0.276 5.94 4 66.2 17.2 170 1 0 -9 29.637 59.273 0.276 5.93 2 188.4 69.3 171 2 3 0 29.638 59.275 0.276 5.93 4 269.8 284.2 172 4 1 1 29.687 59.373 0.277 5.91 4 259.0 260.9 173 2 3 -1 29.723 59.447 0.277 5.89 4 109.0 46.1 174 1 3 -4 29.832 59.663 0.278 5.85 4 28.1 3.0 175 1 2 7 29.873 59.746 0.278 5.83 4 48.9 9.2 176 2 3 1 29.943 59.887 0.279 5.8 4 89.6 30.6 177 3 0 -7 29.959 59.917 0.279 5.79 2 0.4 0.0 178 2 1 -8 30.045 60.09 0.28 5.75 4 28.3 3.0 179 4 0 -4 30.115 60.23 0.28 5.72 2 130.7 32.2 180 2 3 -2 30.198 60.397 0.281 5.69 4 42.4 6.7 181 1 3 4 30.269 60.539 0.282 5.66 4 186.7 129.9 182 4 0 3 30.285 60.571 0.282 5.65 2 170.0 53.8 183 2 2 6 30.318 60.637 0.282 5.64 4 25.1 2.3 184 4 1 -3 30.367 60.735 0.283 5.62 4 71.4 18.9 185 2 0 8 30.399 60.799 0.283 5.61 2 4.8 0.0 186 4 1 2 30.489 60.977 0.284 5.57 4 155.9 89.0 187 1 0 9 30.62 61.241 0.285 5.52 2 112.8 23.1 188 0 1 9 30.623 61.247 0.285 5.51 4 24.1 2.1 189 2 3 2 30.633 61.266 0.285 5.51 4 87.0 27.5 190 0 3 5 30.894 61.789 0.287 5.41 4 40.7 5.9 191 3 2 4 30.922 61.845 0.287 5.4 4 134.3 64.1 192 3 1 6 30.953 61.905 0.288 5.39 4 142.8 72.3 193 1 1 -9 31.025 62.05 0.288 5.36 4 173.3 106.0 194 2 3 -3 31.052 62.103 0.288 5.35 4 211.2 157.0 195 3 2 -5 31.19 62.38 0.289 5.3 4 322.9 363.5 196 3 1 -7 31.338 62.677 0.291 5.24 4 175.0 105.6 197 2 2 -7 31.407 62.813 0.291 5.22 4 54.2 10.1 198 0 2 8 31.488 62.975 0.292 5.19 4 18.4 1.2 199 4 1 -4 31.491 62.981 0.292 5.18 4 118.8 48.2 200 1 3 -5 31.507 63.014 0.292 5.18 4 261.8 233.7 201 4 0 -5 31.623 63.245 0.293 5.14 2 59.7 6.0 202 4 1 3 31.657 63.314 0.293 5.13 4 11.9 0.5 203 2 3 3 31.692 63.384 0.294 5.11 4 216.8 158.2 204 2 1 8 31.768 63.536 0.294 5.09 4 39.9 5.3 205 2 0 -9 31.816 63.632 0.295 5.07 2 31.5 1.7 206 4 0 4 31.836 63.671 0.295 5.06 2 125.2 26.1 207 1 2 -8 31.936 63.871 0.296 5.03 4 132.8 58.4 208 1 1 9 31.983 63.967 0.296 5.01 4 154.7 78.9 209 1 3 5 32.037 64.074 0.297 4.99 4 104.7 36.0 210 3 0 7 32.213 64.425 0.298 4.93 2 233.1 88.2 211 2 3 -4 32.266 64.533 0.298 4.92 4 71.6 16.6 212 3 0 -8 32.648 65.296 0.302 4.79 2 186.3 54.8 213 3 2 5 32.774 65.548 0.303 4.75 4 122.1 46.7 214 1 2 8 32.775 65.55 0.303 4.75 4 173.3 94.0 215 0 0 10 32.852 65.704 0.303 4.73 2 189.6 56.0 216 2 2 7 32.881 65.762 0.303 4.72 4 12.0 0.4 217 0 3 6 32.961 65.922 0.304 4.7 4 28.6 2.5 218 4 1 -5 32.962 65.925 0.304 4.7 4 52.0 8.3 219 3 2 -6 33.091 66.181 0.305 4.66 4 102.1 31.9 220 2 3 4 33.102 66.203 0.305 4.65 4 81.3 20.2 221 2 1 -9 33.152 66.303 0.306 4.64 4 119.7 43.8 222 4 1 4 33.171 66.341 0.306 4.63 4 160.6 78.7 223 1 0 -10 33.187 66.373 0.306 4.63 2 97.8 14.6 224 4 2 -1 33.336 66.673 0.307 4.58 4 80.0 19.3 225 4 2 0 33.36 66.719 0.307 4.58 4 291.5 256.2 226 4 0 -6 33.459 66.917 0.308 4.55 2 9.7 0.1 227 1 3 -6 33.501 67.003 0.309 4.54 4 164.5 80.8 228 3 1 7 33.54 67.08 0.309 4.53 4 51.7 8.0 229 4 2 -2 33.68 67.36 0.31 4.49 4 22.6 1.5 230 2 0 9 33.693 67.387 0.31 4.48 2 88.4 11.5 231 4 0 5 33.711 67.423 0.31 4.48 2 105.9 16.5 232 4 2 1 33.749 67.497 0.311 4.47 4 42.0 5.2 233 2 3 -5 33.823 67.645 0.311 4.45 4 24.8 1.8 234 3 1 -8 33.966 67.933 0.312 4.41 4 168.8 82.7 235 3 3 0 33.996 67.993 0.313 4.4 4 12.2 0.4 236 3 3 -1 34.025 68.05 0.313 4.39 4 82.0 19.4 237 2 2 -8 34.083 68.166 0.313 4.38 4 30.5 2.7 238 1 3 6 34.117 68.234 0.314 4.37 4 197.9 112.6 239 0 1 10 34.166 68.333 0.314 4.35 4 125.0 44.8 240 1 0 10 34.215 68.429 0.314 4.34 2 33.1 1.6 241 3 3 1 34.331 68.662 0.315 4.31 4 17.6 0.9 242 4 2 -3 34.384 68.768 0.316 4.3 4 255.6 184.8 243 3 3 -2 34.416 68.831 0.316 4.29 4 61.2 10.6 244 1 1 -10 34.495 68.99 0.317 4.27 4 16.6 0.8 245 4 2 2 34.498 68.995 0.317 4.27 4 74.6 15.7 246 0 2 9 34.624 69.248 0.318 4.24 4 121.1 40.9 247 4 1 -6 34.762 69.524 0.319 4.2 4 8.4 0.2 248 2 3 5 34.842 69.683 0.319 4.18 4 53.4 7.9 249 3 2 6 34.933 69.866 0.32 4.16 4 267.4 195.9 250 2 1 9 34.992 69.985 0.321 4.15 4 89.4 21.8 251 1 2 -9 35.001 70.002 0.321 4.14 4 116.9 37.3 252 4 1 5 35.01 70.02 0.321 4.14 4 96.2 25.2 253 3 3 2 35.024 70.047 0.321 4.14 4 136.5 50.7 254 3 0 8 35.109 70.218 0.321 4.12 2 64.9 5.7 255 3 3 -3 35.163 70.327 0.322 4.11 4 111.5 33.6 256 2 0 -10 35.195 70.39 0.322 4.1 2 115.6 18.0 257 3 2 -7 35.296 70.592 0.323 4.08 4 60.0 9.6 258 0 3 7 35.321 70.642 0.323 4.07 4 28.3 2.1 259 4 2 -4 35.439 70.879 0.324 4.04 4 3.3 0.0 260 1 1 10 35.505 71.009 0.325 4.03 4 152.3 61.5 261 0 4 0 35.541 71.083 0.325 4.02 2 377.8 188.8 262 3 0 -9 35.582 71.165 0.325 4.01 2 165.6 36.2 263 4 2 3 35.596 71.192 0.325 4.01 4 255.8 172.6 264 4 0 -7 35.603 71.206 0.325 4.01 2 25.3 0.8 265 5 0 -1 35.625 71.25 0.326 4.0 2 107.7 15.3 266 5 0 0 35.697 71.395 0.326 3.98 2 19.5 0.5 267 2 2 8 35.701 71.402 0.326 3.98 4 58.7 9.0 268 2 3 -6 35.702 71.403 0.326 3.98 4 17.6 0.8 269 0 4 1 35.719 71.439 0.326 3.98 4 8.3 0.2 270 1 3 -7 35.795 71.589 0.327 3.96 4 9.8 0.3 271 4 0 6 35.893 71.786 0.328 3.94 2 33.1 1.4 272 1 2 9 35.905 71.809 0.328 3.94 4 225.6 132.0 273 5 0 -2 35.908 71.816 0.328 3.94 2 17.3 0.4 274 3 3 3 36.065 72.131 0.329 3.91 4 58.9 8.9 275 5 0 1 36.125 72.249 0.33 3.89 2 2.6 0.0 276 0 4 2 36.251 72.503 0.331 3.87 4 30.3 2.3 277 3 3 -4 36.258 72.517 0.331 3.87 4 200.4 102.2 278 1 4 0 36.362 72.725 0.331 3.84 4 39.5 4.0 279 3 1 8 36.385 72.771 0.332 3.84 4 202.4 103.5 280 2 1 -10 36.47 72.939 0.332 3.82 4 163.8 67.5 281 1 4 -1 36.489 72.978 0.332 3.82 4 35.0 3.1 282 1 3 7 36.492 72.984 0.332 3.82 4 184.0 85.1 283 5 0 -3 36.544 73.087 0.333 3.81 2 45.2 2.6 284 1 4 1 36.588 73.177 0.333 3.8 4 30.5 2.3 285 0 0 11 36.635 73.27 0.334 3.79 2 129.2 20.8 286 4 2 -5 36.833 73.667 0.335 3.75 4 40.4 4.0 287 3 1 -9 36.852 73.703 0.335 3.75 4 128.4 40.7 288 4 1 -7 36.872 73.744 0.335 3.74 4 28.5 2.0 289 5 1 -1 36.894 73.787 0.336 3.74 4 31.2 2.4 290 2 3 6 36.895 73.79 0.336 3.74 4 53.9 7.2 291 5 0 2 36.901 73.803 0.336 3.74 2 94.2 10.9 292 1 0 -11 36.905 73.809 0.336 3.74 2 105.8 13.8 293 5 1 0 36.965 73.93 0.336 3.73 4 42.6 4.4 294 1 4 -2 36.967 73.935 0.336 3.73 4 55.0 7.4 295 2 2 -9 37.014 74.027 0.337 3.72 4 109.5 29.3 296 4 2 4 37.032 74.063 0.337 3.71 4 15.7 0.6 297 0 4 3 37.131 74.262 0.337 3.7 4 226.5 124.8 298 4 1 6 37.158 74.316 0.338 3.69 4 14.7 0.5 299 1 4 2 37.165 74.329 0.338 3.69 4 157.2 60.0 300 5 1 -2 37.173 74.346 0.338 3.69 4 105.7 27.1 301 2 0 10 37.186 74.373 0.338 3.69 2 188.9 43.3 302 3 2 7 37.384 74.767 0.339 3.65 4 113.3 30.8 303 5 1 1 37.387 74.773 0.339 3.65 4 33.0 2.6 304 3 3 4 37.445 74.89 0.34 3.64 4 16.9 0.7 305 5 0 -4 37.524 75.048 0.34 3.62 2 233.8 65.2 306 3 3 -5 37.689 75.379 0.342 3.6 4 119.1 33.6 307 3 2 -8 37.791 75.583 0.343 3.58 4 205.4 99.4 308 1 4 -3 37.792 75.584 0.343 3.58 4 124.3 36.4 309 5 1 -3 37.8 75.6 0.343 3.58 4 135.9 43.5 310 2 3 -7 37.888 75.776 0.343 3.56 4 12.8 0.4 311 0 1 11 37.891 75.782 0.343 3.56 4 192.2 86.6 312 0 3 8 37.962 75.925 0.344 3.55 4 52.5 6.4 313 0 2 10 37.983 75.966 0.344 3.55 4 120.8 34.1 314 1 0 11 37.986 75.972 0.344 3.55 2 139.7 22.8 315 5 0 3 38.02 76.041 0.344 3.54 2 52.2 3.2 316 4 0 -8 38.042 76.083 0.344 3.54 2 9.1 0.1 317 1 4 3 38.085 76.171 0.345 3.53 4 38.2 3.4 318 5 1 2 38.154 76.308 0.345 3.52 4 5.9 0.1 319 1 1 -11 38.157 76.314 0.345 3.52 4 95.0 20.9 320 3 0 9 38.251 76.502 0.346 3.5 2 122.0 17.2 321 1 2 -10 38.298 76.595 0.346 3.5 4 189.4 82.5 322 0 4 4 38.35 76.701 0.347 3.49 4 33.0 2.5 323 4 0 7 38.368 76.737 0.347 3.48 2 7.8 0.1 324 1 3 -8 38.375 76.75 0.347 3.48 4 210.1 101.2 325 2 1 10 38.436 76.871 0.347 3.47 4 153.9 54.2 326 4 2 -6 38.554 77.108 0.348 3.46 4 46.9 5.0 327 3 0 -10 38.763 77.526 0.35 3.42 2 5.5 0.0 328 5 1 -4 38.77 77.54 0.35 3.42 4 29.6 2.0 329 2 2 9 38.776 77.552 0.35 3.42 4 35.0 2.8 330 2 0 -11 38.782 77.565 0.35 3.42 2 216.3 52.7 331 2 4 0 38.785 77.57 0.35 3.42 4 43.3 4.2 332 4 2 5 38.793 77.586 0.35 3.42 4 15.3 0.5 333 5 0 -5 38.842 77.683 0.351 3.41 2 99.4 11.1 334 2 4 -1 38.86 77.721 0.351 3.41 4 228.2 116.9 335 1 4 -4 38.956 77.911 0.351 3.4 4 145.5 47.3 336 2 4 1 39.054 78.109 0.352 3.38 4 193.9 83.7 337 3 3 5 39.151 78.303 0.353 3.37 4 245.8 133.9 338 1 3 8 39.152 78.305 0.353 3.37 4 129.1 37.0 339 1 1 11 39.227 78.454 0.354 3.36 4 62.0 8.5 340 2 3 7 39.251 78.502 0.354 3.35 4 13.4 0.4 341 5 1 3 39.261 78.522 0.354 3.35 4 94.0 19.5 342 1 2 10 39.269 78.539 0.354 3.35 4 66.7 9.8 343 2 4 -2 39.28 78.56 0.354 3.35 4 113.6 28.5 344 4 1 -8 39.282 78.564 0.354 3.35 4 84.8 15.9 345 1 4 4 39.343 78.687 0.354 3.34 4 25.7 1.5 346 3 3 -6 39.446 78.892 0.355 3.33 4 172.0 64.8 347 5 0 4 39.472 78.945 0.355 3.32 2 41.9 1.9 348 3 1 9 39.489 78.979 0.355 3.32 4 165.0 59.5 349 4 1 7 39.606 79.211 0.356 3.31 4 19.7 0.8 350 2 4 2 39.667 79.334 0.357 3.3 4 170.2 62.9 351 4 3 -1 39.675 79.351 0.357 3.3 4 155.3 52.3 352 4 3 0 39.697 79.394 0.357 3.29 4 19.8 0.9 353 0 4 5 39.901 79.801 0.359 3.27 4 2.2 0.0 354 4 3 -2 39.997 79.993 0.359 3.26 4 180.1 69.5 355 3 1 -10 39.997 79.994 0.359 3.26 4 99.4 21.2 356 2 1 -11 40.016 80.032 0.359 3.25 4 85.8 15.8 357 2 4 -3 40.042 80.083 0.36 3.25 4 96.8 20.0 358 4 3 1 40.061 80.122 0.36 3.25 4 223.8 107.1 359 5 1 -5 40.075 80.15 0.36 3.25 4 213.1 97.0 360 3 2 8 40.121 80.242 0.36 3.24 4 156.4 52.1 361 2 2 -10 40.203 80.406 0.361 3.23 4 187.5 74.8 362 2 3 -8 40.375 80.75 0.362 3.21 4 17.3 0.6 363 1 4 -5 40.451 80.903 0.363 3.2 4 138.0 40.1 364 5 0 -6 40.488 80.976 0.363 3.2 2 78.7 6.5 365 3 2 -9 40.574 81.147 0.364 3.19 4 147.4 45.6 366 4 2 -7 40.593 81.186 0.364 3.18 4 49.7 5.2 367 5 2 -1 40.614 81.229 0.364 3.18 4 46.2 4.5 368 0 0 12 40.614 81.229 0.364 3.18 2 129.4 17.5 369 2 4 3 40.619 81.237 0.364 3.18 4 9.7 0.2 370 4 3 -3 40.659 81.318 0.364 3.18 4 52.6 5.8 371 5 2 0 40.684 81.367 0.364 3.17 4 64.2 8.6 372 5 1 4 40.701 81.401 0.365 3.17 4 133.7 37.3 373 4 3 2 40.766 81.532 0.365 3.16 4 156.7 51.1 374 4 0 -9 40.771 81.542 0.365 3.16 2 139.5 20.2 375 1 0 -12 40.828 81.656 0.365 3.16 2 67.1 4.7 376 4 2 6 40.871 81.743 0.366 3.15 4 90.0 16.8 377 0 3 9 40.885 81.77 0.366 3.15 4 29.0 1.7 378 5 2 -2 40.886 81.772 0.366 3.15 4 74.9 11.6 379 2 0 11 40.905 81.809 0.366 3.15 2 146.2 22.1 380 1 4 5 40.931 81.863 0.366 3.15 4 249.6 129.0 381 5 2 1 41.094 82.188 0.367 3.13 4 32.0 2.1 382 4 0 8 41.135 82.269 0.368 3.12 2 34.8 1.2 383 2 4 -4 41.14 82.28 0.368 3.12 4 145.6 43.6 384 3 3 6 41.178 82.355 0.368 3.12 4 122.4 30.8 385 1 3 -9 41.242 82.484 0.369 3.11 4 171.3 60.1 386 5 0 5 41.251 82.501 0.369 3.11 2 181.6 33.8 387 5 2 -3 41.497 82.994 0.37 3.09 4 94.6 18.2 388 3 3 -7 41.522 83.044 0.371 3.08 4 154.4 48.4 389 0 2 11 41.586 83.171 0.371 3.08 4 72.7 10.7 390 3 0 10 41.651 83.303 0.372 3.07 2 164.6 27.4 391 4 3 -4 41.658 83.316 0.372 3.07 4 107.5 23.4 392 5 1 -6 41.709 83.419 0.372 3.07 4 178.9 64.6 393 0 4 6 41.775 83.551 0.372 3.06 4 58.0 6.8 394 4 3 3 41.807 83.615 0.373 3.06 4 0.1 0.0 395 0 1 12 41.835 83.67 0.373 3.05 4 44.2 3.9 396 5 2 2 41.843 83.685 0.373 3.05 4 124.9 31.3 397 1 2 -11 41.846 83.691 0.373 3.05 4 5.1 0.1 398 2 4 4 41.905 83.81 0.373 3.05 4 105.3 22.2 399 2 3 8 41.907 83.815 0.373 3.05 4 31.1 1.9 400 1 0 12 41.976 83.951 0.374 3.04 2 43.7 1.9 401 4 1 -9 41.991 83.982 0.374 3.04 4 73.9 10.9 402 1 1 -12 42.047 84.095 0.374 3.03 4 37.4 2.8 403 1 3 9 42.102 84.203 0.375 3.03 4 140.6 39.4 404 2 2 10 42.118 84.236 0.375 3.03 4 132.4 35.0 405 2 1 11 42.124 84.248 0.375 3.03 4 126.6 31.9 406 3 0 -11 42.206 84.413 0.376 3.02 2 42.9 1.8 407 1 4 -6 42.274 84.547 0.376 3.01 4 172.4 59.0 408 4 1 8 42.353 84.705 0.377 3.01 4 22.1 1.0 409 5 2 -4 42.445 84.891 0.377 3.0 4 176.6 61.6 410 5 0 -7 42.458 84.916 0.377 3.0 2 242.0 57.8 411 5 1 5 42.468 84.936 0.377 3.0 4 73.5 10.7 412 2 4 -5 42.571 85.143 0.378 2.99 4 46.8 4.3 413 2 0 -12 42.611 85.223 0.378 2.98 2 50.0 2.5 414 3 4 0 42.733 85.465 0.379 2.98 4 46.9 4.3 415 3 4 -1 42.759 85.518 0.38 2.97 4 15.8 0.5 416 1 4 6 42.845 85.69 0.38 2.97 4 126.3 31.1 417 3 1 10 42.867 85.734 0.38 2.96 4 27.9 1.5 418 1 2 11 42.894 85.788 0.38 2.96 4 76.5 11.4 419 5 2 3 42.927 85.855 0.381 2.96 4 1.0 0.0 420 4 2 -8 42.948 85.896 0.381 2.96 4 28.1 1.5 421 4 3 -5 42.992 85.984 0.381 2.95 4 37.4 2.7 422 3 4 1 43.045 86.089 0.382 2.95 4 67.0 8.7 423 3 4 -2 43.124 86.247 0.382 2.94 4 114.8 25.5 424 3 2 9 43.152 86.304 0.382 2.94 4 174.5 59.0 425 2 3 -9 43.165 86.331 0.382 2.94 4 114.4 25.3 426 4 3 4 43.183 86.366 0.383 2.94 4 145.0 40.7 427 1 1 12 43.19 86.38 0.383 2.94 4 34.9 2.4 428 4 2 7 43.266 86.533 0.383 2.93 4 32.5 2.0 429 5 0 6 43.352 86.705 0.384 2.93 2 171.6 28.4 430 3 1 -11 43.42 86.84 0.384 2.92 4 97.7 18.4 431 2 4 5 43.522 87.045 0.385 2.92 4 135.0 35.0 432 3 3 7 43.522 87.045 0.385 2.92 4 45.8 4.0 433 3 2 -10 43.652 87.304 0.386 2.91 4 26.8 1.4 434 2 2 -11 43.671 87.341 0.386 2.91 4 144.2 39.8 435 5 1 -7 43.671 87.341 0.386 2.91 4 43.2 3.6 436 3 4 2 43.694 87.387 0.386 2.9 4 10.2 0.2 437 5 2 -5 43.729 87.457 0.386 2.9 4 150.1 43.0 438 4 0 -10 43.8 87.599 0.387 2.9 2 143.7 19.7 439 2 1 -12 43.824 87.648 0.387 2.9 4 161.2 49.5 440 3 4 -3 43.825 87.65 0.387 2.9 4 129.6 32.0 441 3 3 -8 43.917 87.834 0.388 2.89 4 159.2 48.2 442 0 4 7 43.974 87.948 0.388 2.89 4 55.3 5.8 443 0 3 10 44.103 88.205 0.389 2.88 4 120.5 27.5 444 4 0 9 44.202 88.405 0.39 2.87 2 82.0 6.4 445 6 0 -1 44.327 88.655 0.391 2.86 2 141.5 18.9 446 2 4 -6 44.334 88.668 0.391 2.86 4 12.9 0.3 447 5 2 4 44.347 88.693 0.391 2.86 4 35.0 2.3 448 1 3 -10 44.409 88.817 0.391 2.86 4 23.6 1.0 449 1 4 -7 44.422 88.844 0.391 2.86 4 183.6 63.4 450 6 0 0 44.443 88.887 0.391 2.86 2 5.7 0.0 451 6 0 -2 44.549 89.097 0.392 2.85 2 170.9 27.4 452 5 1 6 44.563 89.126 0.392 2.85 4 185.0 64.2 453 4 3 -6 44.658 89.317 0.393 2.85 4 19.8 0.7 454 3 4 3 44.68 89.359 0.393 2.84 4 109.8 22.6 455 5 0 -8 44.753 89.506 0.394 2.84 2 108.7 11.0 456 0 0 13 44.847 89.693 0.394 2.84 2 232.2 50.3 457 3 4 -4 44.863 89.727 0.394 2.84 4 11.3 0.2 458 2 3 9 44.875 89.749 0.394 2.83 4 85.2 13.5 459 4 3 5 44.891 89.783 0.395 2.83 4 82.5 12.7 460 2 0 12 44.892 89.783 0.395 2.83 2 54.1 2.7 461 6 0 1 44.897 89.794 0.395 2.83 2 285.4 76.0 X-ray diffraction powder data (I)...X-Ray wave length = 1.78892 (angs.): No H K L Theta 2*Theta d I int I int.n. I p.h.n. H(Si) ( degree ) (angstrem) *100 *100 1 0 0 1 3.11 6.219 16.48862 239.3 4.5 4.5 5.5 2 1 0 0 6.702 13.403 7.66455 190.0 3.5 3.5 5.6 3 1 0 -1 7.206 14.412 7.13091 60.5 1.1 1.1 5.6 4 1 0 1 7.578 15.155 6.78285 91.5 1.7 1.7 5.6 5 1 0 -2 8.862 17.724 5.80599 160.3 3.0 3.0 5.6 6 0 1 1 8.924 17.847 5.76635 5369.2 100.0 100.0 5.6 7 0 0 3 9.366 18.732 5.49621 2123.4 39.5 39.5 5.6 8 1 0 2 9.466 18.931 5.43885 1115.2 20.8 20.8 5.6 9 0 1 2 10.449 20.897 4.9321 1440.4 26.8 26.8 5.6 10 1 0 -3 11.184 22.368 4.61163 477.3 8.9 8.9 5.6 11 1 1 1 11.317 22.634 4.55808 165.2 3.1 3.1 5.6 12 1 1 -2 12.227 24.454 4.22345 621.9 11.6 11.5 5.6 13 2 0 -1 13.659 27.318 3.78781 1074.4 20.0 19.9 5.6 14 1 0 -4 13.861 27.722 3.73371 322.2 6.0 6.0 5.6 15 1 1 -3 14.026 28.052 3.69063 240.4 4.5 4.4 5.6 16 2 0 1 14.067 28.134 3.68009 647.6 12.1 12.0 5.6 17 2 0 -2 14.529 29.058 3.56545 129.4 2.4 2.4 5.6 18 1 1 3 14.62 29.239 3.54379 290.2 5.4 5.4 5.6 19 0 1 4 15.139 30.277 3.425 528.4 9.8 9.8 5.6 20 2 0 2 15.292 30.584 3.39142 362.1 6.7 6.7 5.6 21 2 1 0 15.959 31.918 3.25323 1683.6 31.4 31.0 5.6 22 2 0 -3 16.002 32.004 3.24471 170.8 3.2 3.1 5.6 23 2 1 -1 16.098 32.195 3.22589 195.0 3.6 3.6 5.6 24 2 1 1 16.45 32.901 3.15857 118.8 2.2 2.2 5.6 25 1 0 -5 16.749 33.498 3.10383 234.7 4.4 4.3 5.7 26 0 2 0 16.897 33.793 3.0775 690.1 12.9 12.7 5.7 27 1 1 4 16.964 33.929 3.06556 579.1 10.8 10.7 5.7 28 0 2 1 17.197 34.395 3.02526 235.5 4.4 4.3 5.7 29 2 1 2 17.525 35.051 2.97036 124.3 2.3 2.3 5.7 30 1 0 5 17.59 35.18 2.95977 599.3 11.2 11.0 5.7 31 2 0 -4 17.946 35.891 2.903 249.3 4.6 4.6 5.7 32 0 2 2 18.073 36.147 2.88317 148.1 2.8 2.7 5.7 33 2 1 -3 18.157 36.315 2.87029 582.7 10.9 10.7 5.7 34 1 2 -1 18.455 36.91 2.82559 155.0 2.9 2.8 5.7 35 1 1 -5 18.829 37.658 2.77139 878.8 16.4 16.1 5.7 36 2 1 3 19.098 38.196 2.73383 565.3 10.5 10.4 5.7 37 2 0 4 19.203 38.406 2.71943 88.2 1.6 1.6 5.7 38 0 2 3 19.457 38.915 2.68522 630.9 11.8 11.6 5.7 39 1 2 2 19.509 39.017 2.67845 93.0 1.7 1.7 5.7 40 1 1 5 19.593 39.185 2.66739 142.4 2.7 2.6 5.7 41 1 0 -6 19.786 39.572 2.64234 210.7 3.9 3.9 5.7 42 2 1 -4 19.918 39.835 2.62561 109.3 2.0 2.0 5.7 43 1 0 6 20.664 41.328 2.53472 114.2 2.1 2.1 5.7 44 1 2 3 20.883 41.766 2.5093 120.7 2.2 2.2 5.7 45 2 1 4 21.075 42.15 2.48746 206.3 3.8 3.8 5.7 46 1 1 -6 21.616 43.232 2.42805 312.6 5.8 5.7 5.7 47 2 0 5 21.668 43.335 2.42254 142.4 2.7 2.6 5.7 48 2 2 -1 21.992 43.985 2.38852 164.5 3.1 3.0 5.7 49 1 2 -4 22.126 44.253 2.37478 630.2 11.7 11.5 5.7 50 2 2 1 22.264 44.529 2.3608 466.8 8.7 8.5 5.7 51 3 1 -1 22.313 44.626 2.35589 89.9 1.7 1.6 5.7 52 1 1 6 22.435 44.87 2.34376 331.0 6.2 6.0 5.7 53 2 2 -2 22.578 45.156 2.32969 533.4 9.9 9.7 5.7 54 1 0 -7 22.948 45.896 2.29411 197.6 3.7 3.6 5.7 55 2 2 2 23.108 46.217 2.27904 260.9 4.9 4.7 5.7 56 3 0 3 23.304 46.608 2.26095 75.8 1.4 1.4 5.7 57 3 1 2 23.612 47.224 2.23315 175.0 3.3 3.2 5.7 58 3 1 -3 23.79 47.58 2.21737 115.9 2.2 2.1 5.7 59 1 2 -5 24.161 48.321 2.18537 55.8 1.0 1.0 5.7 60 1 2 5 24.79 49.579 2.13328 418.6 7.8 7.6 5.7 61 3 0 4 25.074 50.147 2.11065 150.6 2.8 2.7 5.7 62 3 1 -4 25.166 50.333 2.10338 270.5 5.0 4.9 5.8 63 3 0 -5 25.38 50.761 2.08681 162.0 3.0 2.9 5.8 64 1 1 7 25.455 50.91 2.0811 268.3 5.0 4.8 5.8 65 0 3 1 26.061 52.122 2.03597 496.4 9.2 9.0 5.8 66 1 0 -8 26.229 52.458 2.02384 71.4 1.3 1.3 5.8 67 1 2 -6 26.498 52.996 2.00477 131.6 2.5 2.4 5.8 68 0 3 2 26.697 53.393 1.99094 175.4 3.3 3.2 5.8 69 3 1 -5 26.91 53.82 1.97631 85.3 1.6 1.5 5.8 70 1 0 8 27.175 54.349 1.95851 217.4 4.0 3.9 5.8 71 1 2 6 27.204 54.409 1.95653 149.9 2.8 2.7 5.8 72 3 2 -2 27.545 55.089 1.93423 355.4 6.6 6.4 5.8 73 1 1 -8 27.726 55.452 1.92257 277.5 5.2 5.0 5.8 74 4 0 0 27.827 55.654 1.91614 239.9 4.5 4.3 5.8 75 1 1 8 28.638 57.275 1.8663 380.0 7.1 6.8 5.8 76 3 1 -6 28.979 57.957 1.84622 194.4 3.6 3.5 5.8 77 1 2 -7 29.098 58.196 1.8393 262.0 4.9 4.7 5.8 78 0 3 4 29.142 58.285 1.83674 90.0 1.7 1.6 5.8 79 4 1 -1 29.244 58.487 1.83095 141.2 2.6 2.5 5.8 80 3 2 3 29.4 58.8 1.82208 109.8 2.0 2.0 5.8 81 3 0 6 29.562 59.125 1.81295 65.9 1.2 1.2 5.8 82 2 3 0 29.638 59.275 1.80877 498.5 9.3 8.9 5.8 83 4 1 1 29.687 59.373 1.80605 260.9 4.9 4.7 5.8 84 1 3 4 30.269 60.539 1.77449 183.7 3.4 3.3 5.8 85 4 1 2 30.489 60.977 1.76295 89.0 1.7 1.6 5.8 86 3 2 4 30.922 61.845 1.74062 70.0 1.3 1.2 5.8 87 3 1 6 30.953 61.905 1.73908 72.3 1.3 1.3 5.8 88 2 3 -3 31.052 62.103 1.73409 262.9 4.9 4.7 5.8 89 3 2 -5 31.19 62.38 1.72718 363.5 6.8 6.5 5.8 90 3 1 -7 31.338 62.677 1.71981 105.6 2.0 1.9 5.8 91 1 3 -5 31.507 63.014 1.71154 283.0 5.3 5.0 5.9 92 2 3 3 31.692 63.384 1.70258 158.2 2.9 2.8 5.9 93 1 2 -8 31.936 63.871 1.69096 58.4 1.1 1.0 5.9 94 1 1 9 31.983 63.967 1.6887 78.9 1.5 1.4 5.9 95 3 0 7 32.213 64.425 1.67796 88.2 1.6 1.6 5.9 96 3 0 -8 32.648 65.296 1.65802 54.8 1.0 1.0 5.9 97 1 2 8 32.775 65.55 1.65229 140.7 2.6 2.5 5.9 98 0 0 10 32.852 65.704 1.64886 56.4 1.1 1.0 5.9 99 4 1 4 33.171 66.341 1.6348 137.0 2.6 2.4 5.9 100 4 2 0 33.36 66.719 1.62661 275.5 5.1 4.9 5.9 101 1 3 -6 33.501 67.003 1.62052 80.8 1.5 1.4 5.9 102 3 1 -8 33.966 67.933 1.60095 82.7 1.5 1.5 5.9 103 1 3 6 34.117 68.234 1.59472 112.6 2.1 2.0 5.9 104 4 2 -3 34.384 68.768 1.58385 184.8 3.4 3.3 5.9 105 3 2 6 34.933 69.866 1.56205 195.9 3.6 3.4 5.9 106 4 1 5 35.01 70.02 1.55905 135.0 2.5 2.4 5.9 107 1 1 10 35.505 71.009 1.54013 61.5 1.1 1.1 5.9 108 0 4 0 35.541 71.083 1.53875 188.8 3.5 3.3 5.9 109 4 2 3 35.596 71.192 1.5367 224.9 4.2 3.9 5.9 110 1 2 9 35.905 71.809 1.52524 133.8 2.5 2.3 5.9 111 3 3 -4 36.258 72.517 1.51238 104.5 1.9 1.8 5.9 112 3 1 8 36.385 72.771 1.50783 107.5 2.0 1.9 6.0 113 1 3 7 36.492 72.984 1.50403 155.7 2.9 2.7 6.0 114 0 4 3 37.131 74.262 1.48177 125.3 2.3 2.2 6.0 115 1 4 2 37.165 74.329 1.48063 130.4 2.4 2.3 6.0 116 5 0 -4 37.524 75.048 1.4685 65.2 1.2 1.1 6.0 117 3 2 -8 37.791 75.583 1.45966 179.3 3.3 3.1 6.0 118 0 1 11 37.891 75.782 1.4564 86.6 1.6 1.5 6.0 119 1 0 11 37.986 75.972 1.4533 63.3 1.2 1.1 6.0 120 1 2 -10 38.298 76.595 1.44326 82.5 1.5 1.4 6.0 121 1 3 -8 38.375 76.75 1.44081 103.8 1.9 1.8 6.0 122 2 1 10 38.436 76.871 1.43888 54.2 1.0 0.9 6.0 123 2 4 0 38.785 77.57 1.42794 62.2 1.2 1.1 6.0 124 2 4 -1 38.86 77.721 1.42561 128.0 2.4 2.2 6.0 125 2 4 1 39.054 78.109 1.41965 83.7 1.6 1.4 6.0 126 3 3 5 39.151 78.303 1.41669 170.9 3.2 3.0 6.0 127 2 4 -2 39.28 78.56 1.4128 73.6 1.4 1.3 6.0 128 3 3 -6 39.446 78.892 1.40782 66.7 1.2 1.2 6.0 129 3 1 9 39.489 78.979 1.40653 59.5 1.1 1.0 6.0 130 2 4 2 39.667 79.334 1.40126 116.0 2.2 2.0 6.0 131 4 3 -2 39.997 79.993 1.39163 106.4 2.0 1.8 6.0 132 4 3 1 40.061 80.122 1.38976 224.2 4.2 3.9 6.0 133 2 2 -10 40.203 80.406 1.3857 74.8 1.4 1.3 6.0 134 4 3 2 40.766 81.532 1.36983 71.4 1.3 1.2 6.1 135 1 4 5 40.931 81.863 1.36527 151.1 2.8 2.6 6.1 136 1 3 -9 41.242 82.484 1.35681 93.9 1.7 1.6 6.1 137 3 3 -7 41.522 83.044 1.3493 66.6 1.2 1.1 6.1 138 5 1 -6 41.709 83.419 1.34434 64.6 1.2 1.1 6.1 139 1 3 9 42.102 84.203 1.33412 106.3 2.0 1.8 6.1 140 1 4 -6 42.274 84.547 1.32971 59.0 1.1 1.0 6.1 141 5 2 -4 42.445 84.891 1.32535 130.0 2.4 2.2 6.1 142 3 2 9 43.152 86.304 1.30781 84.6 1.6 1.4 6.1 143 4 3 4 43.183 86.366 1.30706 68.4 1.3 1.2 6.1 144 3 4 -3 43.825 87.65 1.29171 101.2 1.9 1.7 6.2 145 1 4 -7 44.422 88.844 1.27791 64.5 1.2 1.1 6.2 146 5 1 6 44.563 89.126 1.27471 91.6 1.7 1.5 6.2 147 0 0 13 44.847 89.693 1.26836 64.1 1.2 1.1 6.2 148 6 0 1 44.897 89.794 1.26724 91.4 1.7 1.5 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) |