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 *** *********************** CROCOITE 2 PbCrO(4) Monoclinic P 2(1)/n Z = 4 P2(1)/n 26 .4 .1989 Ref.Str.: 1. J.Nary-Szobo, G.Argay (1964) * Acta Chim. Acad. Sci. Hung., 40, 283-288 2. S.Quareni, R.De Pieri (1965) * Acta Cryst., 19, 287-289 Initial data from BDM-file Lattice parameters (cub. angs.,degr.): a = 7.145 alpha = 90.0 b = 7.436 beta = 102.4 c = 6.795 gamma = 90.0 Unit cell volume (cub. angs.) = 352.6 Molar volume ( cub.cm/mol.) = 53.1 Co-ordinates, thermal parameters, occupation for atomic positions: NoP x/a y/b z/c B(j) atom / occupation 1 0.2218 0.145 0.3974 0.0 Pb = 1.00 2 0.201 0.1651 0.88 0.0 Cr = 1.00 3 0.0354 0.0989 0.6944 0.0 O = 1.00 4 0.1247 0.3461 0.9869 0.0 O = 1.00 5 0.2534 0.4982 0.454 0.0 O = 1.00 6 0.3887 0.2173 0.781 0.0 O = 1.00 Co-ordinates for all atomic positions : No NoP x/a y/b z/c 1 1 0.2218 0.145 0.3974 2 2 0.201 0.1651 0.88 3 3 0.0354 0.0989 0.6944 4 4 0.1247 0.3461 0.9869 5 5 0.2534 0.4982 0.454 6 6 0.3887 0.2173 0.781 7 1 0.7782 0.855 0.6026 8 2 0.799 0.8349 0.12 9 3 0.9646 0.9011 0.3056 10 4 0.8753 0.6539 0.0131 11 5 0.7466 0.5018 0.546 12 6 0.6113 0.7827 0.219 13 1 0.7218 0.355 0.8974 14 2 0.701 0.3349 0.38 15 3 0.5354 0.4011 0.1944 16 4 0.6247 0.1539 0.4869 17 5 0.7534 0.0018 0.954 18 6 0.8887 0.2827 0.281 19 1 0.2782 0.645 0.1026 20 2 0.299 0.6651 0.62 21 3 0.4646 0.5989 0.8056 22 4 0.3753 0.8461 0.5131 23 5 0.2466 0.9982 0.046 24 6 0.1113 0.7173 0.719 X-ray density (g/cm cub.) = 6.09 MU (1/cm) = 1173.688 Mass attenuation coefficient (cm**2/g) = 192.843 Selected interatomic distances (cation-anion,anion-anion): NoP Atom Rad.sph. C.N. Distance NoP N. (angs.) (angs.) 1 Pb 3.144 9 2.668 3 3.1092 4 2.657 5 2.6777 6 2.5619 3 2.8124 4 2.5554 6 2.528 4 2.6657 5 2 Cr 2.628 4 1.61 3 1.6752 4 1.6701 6 1.6616 5 3 O 3.264 8 2.6817 4 2.6183 6 2.9707 3 2.9982 4 3.0363 5 3.0972 6 2.6453 5 2.887 6 4 O 3.264 6 2.6817 3 2.7507 6 2.9295 4 2.9982 3 2.9166 6 2.7317 5 5 O 3.264 6 3.0516 6 3.0363 3 3.0699 6 2.6453 3 2.7317 4 2.7772 6 6 O 3.264 8 2.6183 3 2.7507 4 3.0516 5 3.0972 3 2.9166 4 3.0699 5 2.887 3 2.7772 5 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 1 0 -1 8.161 16.323 0.092 96.29 2 83.7 1086.2 2 1 1 0 8.707 17.413 0.098 84.34 4 52.4 746.0 3 0 1 1 8.95 17.9 0.101 79.7 4 106.2 2891.5 4 1 1 -1 10.122 20.243 0.114 61.84 4 122.9 3007.0 5 1 0 1 10.167 20.334 0.115 61.28 2 112.2 1240.6 6 1 1 1 11.81 23.62 0.133 44.86 4 95.2 1306.8 7 0 2 0 11.957 23.914 0.134 43.72 2 107.9 818.9 8 2 0 0 12.754 25.508 0.143 38.17 2 324.1 6450.4 9 0 0 2 13.423 26.846 0.151 34.27 2 84.9 397.6 10 1 2 0 13.577 27.153 0.152 33.45 4 322.4 11185.8 11 0 2 1 13.737 27.475 0.154 32.62 4 81.0 688.4 12 2 1 0 14.114 28.229 0.158 30.8 4 116.5 1345.5 13 2 1 -1 14.41 28.821 0.162 29.47 4 88.0 734.0 14 1 2 -1 14.545 29.091 0.163 28.89 4 1.3 0.2 15 0 1 2 14.726 29.452 0.165 28.13 4 275.3 6861.2 16 1 1 -2 14.863 29.726 0.167 27.58 4 189.1 3172.4 17 1 2 1 15.794 31.588 0.177 24.21 4 8.1 5.2 18 2 0 -2 16.495 32.989 0.184 22.04 2 231.6 1901.3 19 2 1 1 16.842 33.684 0.188 21.06 4 53.0 190.7 20 1 1 2 17.237 34.473 0.192 20.03 4 160.4 1658.0 21 2 1 -2 17.592 35.183 0.196 19.16 4 186.1 2134.5 22 2 2 0 17.623 35.246 0.197 19.08 4 69.6 297.2 23 2 2 -1 17.866 35.733 0.199 18.52 4 56.6 190.9 24 0 2 2 18.128 36.256 0.202 17.94 4 4.5 1.2 25 1 2 -2 18.242 36.484 0.203 17.69 4 91.1 472.2 26 3 0 -1 19.058 38.117 0.212 16.06 2 100.0 258.3 27 1 3 0 19.256 38.511 0.214 15.7 4 43.6 96.1 28 0 3 1 19.374 38.748 0.215 15.49 4 176.4 1551.1 29 2 2 1 19.925 39.849 0.221 14.56 4 188.4 1661.8 30 1 3 -1 19.978 39.955 0.222 14.47 4 56.3 147.8 31 1 0 -3 19.995 39.99 0.222 14.44 2 251.0 1464.2 32 3 1 -1 20.033 40.067 0.222 14.38 4 170.4 1344.3 33 1 2 2 20.268 40.535 0.225 14.01 4 5.4 1.3 34 3 1 0 20.302 40.604 0.225 13.96 4 83.3 311.9 35 2 2 -2 20.578 41.155 0.228 13.55 4 35.1 53.6 36 2 0 2 20.673 41.346 0.229 13.41 2 8.7 1.6 37 1 1 -3 20.934 41.867 0.232 13.04 4 30.9 40.1 38 1 3 1 20.94 41.881 0.232 13.03 4 98.0 402.6 39 0 1 3 21.302 42.604 0.236 12.54 4 45.9 85.1 40 2 1 2 21.587 43.174 0.239 12.17 4 279.6 3061.7 41 3 0 1 21.943 43.885 0.243 11.73 2 176.8 590.0 42 3 1 -2 22.077 44.153 0.244 11.57 4 112.6 472.1 43 2 3 0 22.408 44.816 0.247 11.19 4 63.2 143.8 44 2 1 -3 22.601 45.202 0.249 10.97 4 4.1 0.6 45 2 3 -1 22.608 45.215 0.25 10.97 4 175.8 1090.4 46 3 2 -1 22.75 45.5 0.251 10.81 4 18.7 12.2 47 1 0 3 22.781 45.563 0.251 10.78 2 158.4 435.2 48 3 1 1 22.816 45.632 0.252 10.74 4 75.2 195.6 49 0 3 2 22.823 45.647 0.252 10.73 4 77.7 208.4 50 1 3 -2 22.918 45.836 0.253 10.64 4 280.2 2686.6 51 3 2 0 22.993 45.985 0.254 10.56 4 230.9 1811.4 52 1 2 -3 23.566 47.132 0.26 9.98 4 29.4 27.7 53 1 1 3 23.63 47.26 0.26 9.92 4 47.8 72.9 54 0 2 3 23.902 47.804 0.263 9.67 4 192.2 1148.9 55 2 2 2 24.163 48.326 0.266 9.43 4 34.2 35.5 56 2 3 1 24.334 48.668 0.267 9.28 4 112.2 376.3 57 0 4 0 24.479 48.957 0.269 9.16 2 239.1 842.5 58 3 2 -2 24.612 49.225 0.27 9.05 4 243.7 1728.2 59 1 3 2 24.627 49.254 0.27 9.03 4 277.9 2244.1 60 2 3 -2 24.894 49.788 0.273 8.82 4 103.0 301.1 61 2 2 -3 25.096 50.192 0.275 8.65 4 158.3 698.2 62 3 0 -3 25.207 50.414 0.276 8.57 2 175.0 422.3 63 3 2 1 25.294 50.589 0.277 8.5 4 29.6 24.0 64 1 4 0 25.392 50.783 0.278 8.43 4 159.7 691.1 65 0 4 1 25.487 50.973 0.279 8.36 4 30.5 25.1 66 1 4 -1 25.976 51.952 0.284 8.0 4 82.6 175.8 67 3 1 -3 25.996 51.992 0.285 7.99 4 12.4 3.9 68 1 2 3 26.05 52.1 0.285 7.95 4 21.2 11.5 69 4 0 0 26.201 52.403 0.287 7.85 2 191.0 460.2 70 4 1 -1 26.36 52.719 0.288 7.74 4 101.1 254.3 71 1 4 1 26.768 53.537 0.292 7.47 4 112.8 305.7 72 3 3 -1 26.793 53.587 0.293 7.46 4 91.6 201.5 73 4 0 -2 26.908 53.817 0.294 7.38 2 263.8 826.9 74 4 1 0 26.969 53.939 0.294 7.35 4 164.7 641.2 75 3 3 0 27.009 54.018 0.295 7.32 4 133.3 418.8 76 3 1 2 27.084 54.167 0.296 7.28 4 156.4 572.6 77 1 3 -3 27.52 55.04 0.3 7.02 4 10.6 2.5 78 2 1 3 27.536 55.072 0.3 7.01 4 66.2 98.8 79 4 1 -2 27.663 55.326 0.301 6.93 4 100.2 224.1 80 0 0 4 27.663 55.326 0.301 6.93 2 214.4 512.7 81 1 1 -4 27.726 55.452 0.302 6.9 4 96.5 206.8 82 0 3 3 27.821 55.642 0.303 6.84 4 9.3 1.9 83 2 0 -4 27.99 55.981 0.305 6.75 2 156.3 265.4 84 2 4 0 28.001 56.003 0.305 6.74 4 185.8 748.9 85 2 3 2 28.055 56.111 0.305 6.72 4 88.0 167.1 86 2 4 -1 28.172 56.343 0.306 6.65 4 6.6 0.9 87 3 2 -3 28.269 56.537 0.307 6.6 4 18.4 7.2 88 0 4 2 28.356 56.712 0.308 6.56 4 55.6 65.3 89 0 1 4 28.404 56.808 0.309 6.53 4 104.0 227.1 90 1 4 -2 28.437 56.873 0.309 6.51 4 55.2 63.9 91 3 3 -2 28.461 56.921 0.309 6.5 4 188.2 740.6 92 4 2 -1 28.613 57.225 0.311 6.42 4 9.6 1.9 93 2 1 -4 28.726 57.452 0.312 6.37 4 166.2 565.5 94 2 3 -3 28.899 57.797 0.314 6.28 4 12.1 3.0 95 3 3 1 29.079 58.158 0.315 6.19 4 27.6 15.1 96 4 2 0 29.191 58.381 0.317 6.14 4 13.4 3.5 97 3 2 2 29.299 58.598 0.318 6.09 4 74.1 107.5 98 4 1 1 29.411 58.823 0.319 6.04 4 12.1 2.9 99 2 4 1 29.661 59.323 0.321 5.92 4 47.9 43.6 100 2 2 3 29.729 59.458 0.322 5.89 4 146.2 405.4 101 1 3 3 29.769 59.537 0.322 5.87 4 67.9 87.2 102 4 2 -2 29.85 59.7 0.323 5.84 4 68.8 89.0 103 1 2 -4 29.91 59.82 0.324 5.81 4 195.5 714.7 104 1 4 2 29.918 59.836 0.324 5.81 4 13.6 3.4 105 2 4 -2 30.152 60.304 0.326 5.71 4 130.3 311.7 106 0 2 4 30.557 61.114 0.33 5.54 4 64.9 75.1 107 1 1 4 30.688 61.376 0.331 5.49 4 25.8 11.7 108 4 1 -3 30.716 61.431 0.332 5.48 4 1.8 0.1 109 2 2 -4 30.865 61.73 0.333 5.42 4 50.0 43.6 110 3 1 -4 31.3 62.601 0.337 5.25 4 133.5 301.3 111 4 2 1 31.522 63.044 0.339 5.17 4 152.9 389.2 112 3 3 -3 31.817 63.635 0.342 5.07 4 28.7 13.4 113 3 4 -1 31.84 63.68 0.342 5.06 4 31.8 16.5 114 3 0 3 31.975 63.95 0.344 5.01 2 131.2 138.9 115 1 5 0 31.976 63.953 0.344 5.01 4 22.9 8.5 116 3 4 0 32.034 64.068 0.344 4.99 4 120.8 234.7 117 0 5 1 32.059 64.117 0.345 4.99 4 64.3 66.3 118 4 3 -1 32.138 64.276 0.345 4.96 4 151.1 364.1 119 1 5 -1 32.483 64.965 0.349 4.85 4 130.0 263.4 120 1 4 -3 32.495 64.99 0.349 4.84 4 153.7 368.1 121 5 0 -1 32.618 65.237 0.35 4.8 2 23.6 4.3 122 3 1 3 32.655 65.311 0.35 4.79 4 68.6 72.6 123 4 3 0 32.679 65.357 0.35 4.78 4 42.2 27.5 124 1 2 4 32.75 65.501 0.351 4.76 4 256.3 1006.2 125 4 0 2 32.762 65.525 0.351 4.76 2 142.5 155.4 126 0 4 3 32.768 65.535 0.351 4.76 4 68.4 71.5 127 4 2 -3 32.777 65.554 0.351 4.75 4 140.7 302.6 128 3 3 2 32.78 65.56 0.351 4.75 4 228.8 800.1 129 2 4 2 32.98 65.961 0.353 4.69 4 36.6 20.3 130 1 5 1 33.175 66.349 0.355 4.63 4 115.9 200.3 131 2 3 3 33.184 66.368 0.355 4.63 4 62.7 58.5 132 5 1 -1 33.292 66.584 0.356 4.6 4 126.8 237.7 133 4 3 -2 33.298 66.595 0.356 4.6 4 33.6 16.7 134 3 2 -4 33.342 66.684 0.357 4.58 4 124.5 228.6 135 3 4 -2 33.349 66.699 0.357 4.58 4 115.2 195.7 136 1 3 -4 33.354 66.709 0.357 4.58 4 173.0 441.1 137 4 1 2 33.434 66.869 0.358 4.56 4 160.6 377.9 138 2 0 4 33.728 67.456 0.36 4.47 2 270.2 525.3 139 2 4 -3 33.75 67.5 0.361 4.47 4 53.6 41.4 140 3 4 1 33.915 67.83 0.362 4.42 4 127.5 231.1 141 0 3 4 33.964 67.929 0.363 4.41 4 66.9 63.5 142 5 1 -2 34.093 68.185 0.364 4.37 4 36.0 18.2 143 5 1 0 34.163 68.326 0.365 4.36 4 140.5 276.4 144 2 3 -4 34.256 68.511 0.365 4.33 4 43.0 25.7 145 2 5 0 34.265 68.531 0.365 4.33 4 118.6 196.0 146 2 1 4 34.39 68.781 0.367 4.3 4 9.8 1.3 147 2 5 -1 34.417 68.834 0.367 4.29 4 46.2 29.5 148 1 0 -5 34.54 69.079 0.368 4.26 2 28.8 5.7 149 1 4 3 34.55 69.099 0.368 4.26 4 114.5 179.4 150 0 5 2 34.582 69.163 0.368 4.25 4 243.3 809.1 151 4 0 -4 34.601 69.201 0.369 4.24 2 101.7 70.7 152 1 5 -2 34.654 69.308 0.369 4.23 4 27.3 10.1 153 3 2 3 34.655 69.31 0.369 4.23 4 7.7 0.8 154 4 3 1 34.879 69.757 0.371 4.17 4 64.0 55.0 155 1 1 -5 35.195 70.39 0.374 4.1 4 129.7 221.7 156 4 1 -4 35.255 70.511 0.375 4.08 4 207.2 564.0 157 5 2 -1 35.274 70.547 0.375 4.08 4 7.5 0.7 158 4 2 2 35.413 70.825 0.376 4.05 4 47.0 28.7 159 2 1 -5 35.743 71.486 0.379 3.97 4 100.7 129.7 160 2 5 1 35.758 71.515 0.379 3.97 4 46.3 27.4 161 5 0 -3 35.869 71.737 0.38 3.95 2 149.0 141.0 162 1 5 2 35.991 71.981 0.381 3.92 4 4.2 0.2 163 5 0 1 36.006 72.011 0.382 3.92 2 172.7 188.0 164 1 3 4 36.05 72.099 0.382 3.91 4 56.2 39.7 165 5 2 -2 36.054 72.108 0.382 3.91 4 227.8 652.7 166 4 3 -3 36.075 72.15 0.382 3.9 4 28.0 9.8 167 0 1 5 36.122 72.244 0.383 3.89 4 91.3 104.5 168 5 2 0 36.122 72.245 0.383 3.89 4 144.2 260.4 169 2 5 -2 36.204 72.407 0.383 3.88 4 190.5 452.6 170 2 2 4 36.345 72.689 0.385 3.85 4 85.3 90.1 171 3 4 -3 36.455 72.911 0.386 3.83 4 142.2 248.9 172 5 1 -3 36.514 73.028 0.386 3.81 4 60.5 45.0 173 3 3 -4 36.616 73.232 0.387 3.79 4 237.6 688.9 174 5 1 1 36.65 73.3 0.387 3.79 4 59.2 42.7 175 4 4 -1 36.756 73.512 0.388 3.77 4 24.3 7.1 176 3 0 -5 37.103 74.206 0.392 3.7 2 107.1 68.3 177 1 2 -5 37.131 74.263 0.392 3.7 4 6.2 0.5 178 4 2 -4 37.19 74.381 0.392 3.68 4 35.9 15.3 179 4 4 0 37.265 74.53 0.393 3.67 4 135.7 217.6 180 3 4 2 37.361 74.722 0.394 3.65 4 39.1 17.9 181 2 2 -5 37.668 75.336 0.397 3.6 4 31.8 11.7 182 3 1 -5 37.74 75.48 0.397 3.59 4 92.5 98.7 183 2 4 3 37.742 75.485 0.397 3.59 4 70.6 57.5 184 3 5 -1 37.754 75.509 0.397 3.59 4 157.4 285.9 185 1 0 5 37.849 75.698 0.398 3.57 2 4.1 0.1 186 4 4 -2 37.85 75.7 0.398 3.57 4 145.2 242.1 187 3 3 3 37.879 75.759 0.399 3.56 4 46.5 24.8 188 1 4 -4 37.904 75.807 0.399 3.56 4 114.3 149.8 189 3 5 0 37.934 75.868 0.399 3.55 4 5.9 0.4 190 0 2 5 38.04 76.08 0.4 3.54 4 12.7 1.8 191 1 5 -3 38.362 76.725 0.403 3.49 4 29.5 9.8 192 5 2 -3 38.424 76.848 0.403 3.48 4 3.1 0.1 193 0 6 0 38.428 76.856 0.403 3.48 2 193.4 209.1 194 5 3 -1 38.477 76.955 0.404 3.47 4 85.6 81.8 195 1 1 5 38.482 76.964 0.404 3.47 4 142.4 226.2 196 0 4 4 38.483 76.966 0.404 3.47 4 173.8 336.8 197 5 2 1 38.558 77.116 0.405 3.46 4 37.7 15.8 198 4 3 2 38.612 77.223 0.405 3.45 4 81.0 72.8 199 0 5 3 38.616 77.233 0.405 3.45 4 34.8 13.4 200 2 4 -4 38.76 77.52 0.406 3.42 4 128.4 181.5 201 2 5 2 38.815 77.631 0.407 3.42 4 238.0 622.4 202 4 1 3 38.819 77.637 0.407 3.42 4 102.7 115.8 203 1 6 0 39.143 78.285 0.41 3.37 4 135.8 200.0 204 3 5 -2 39.161 78.322 0.41 3.37 4 20.9 4.7 205 0 6 1 39.218 78.436 0.41 3.36 4 90.2 87.9 206 5 3 -2 39.234 78.468 0.411 3.36 4 74.7 60.2 207 5 3 0 39.3 78.601 0.411 3.35 4 202.8 442.8 208 3 1 4 39.346 78.692 0.412 3.34 4 33.5 12.1 209 4 4 1 39.355 78.71 0.412 3.34 4 69.2 51.5 210 2 3 4 39.516 79.033 0.413 3.32 4 15.0 2.4 211 2 5 -3 39.537 79.074 0.413 3.31 4 26.0 7.2 212 1 6 -1 39.608 79.216 0.414 3.31 4 59.1 37.1 213 3 2 -5 39.631 79.261 0.414 3.3 4 5.0 0.3 214 3 5 1 39.693 79.385 0.415 3.29 4 89.8 85.5 215 1 6 1 40.249 80.498 0.419 3.22 4 53.1 29.3 216 1 3 -5 40.283 80.565 0.42 3.22 4 73.2 55.5 217 1 5 3 40.292 80.584 0.42 3.22 4 76.3 60.4 218 4 3 -4 40.34 80.681 0.42 3.21 4 79.3 65.1 219 1 2 5 40.362 80.724 0.42 3.21 4 10.4 1.1 220 5 1 -4 40.445 80.89 0.421 3.2 4 134.9 187.4 221 1 4 4 40.479 80.959 0.421 3.2 4 123.1 155.8 222 4 4 -3 40.504 81.008 0.422 3.19 4 47.5 23.2 223 5 1 2 40.643 81.285 0.423 3.18 4 89.6 82.1 224 4 2 3 40.695 81.389 0.423 3.17 4 109.3 121.8 225 6 0 -2 40.773 81.546 0.424 3.16 2 233.5 277.5 226 2 3 -5 40.807 81.614 0.424 3.16 4 118.2 141.9 227 6 1 -1 40.966 81.931 0.426 3.14 4 75.5 57.6 228 3 4 -4 41.026 82.052 0.426 3.14 4 54.8 30.3 229 4 1 -5 41.116 82.232 0.427 3.13 4 77.4 60.2 230 0 3 5 41.171 82.341 0.427 3.12 4 130.5 170.8 231 3 2 4 41.216 82.432 0.428 3.12 4 203.2 413.8 232 2 6 0 41.267 82.534 0.428 3.11 4 182.0 331.5 233 6 1 -2 41.393 82.787 0.429 3.1 4 47.2 22.2 234 2 6 -1 41.41 82.819 0.429 3.1 4 39.6 15.6 235 6 0 0 41.475 82.95 0.43 3.09 2 95.5 45.3 236 5 3 -3 41.548 83.095 0.431 3.08 4 28.3 7.9 237 0 6 2 41.565 83.129 0.431 3.08 4 69.4 47.7 238 1 6 -2 41.633 83.265 0.431 3.07 4 64.0 40.5 239 5 3 1 41.679 83.357 0.432 3.07 4 4.8 0.2 240 6 1 0 42.094 84.187 0.435 3.03 4 176.5 303.7 241 3 5 -3 42.11 84.22 0.435 3.03 4 32.9 10.5 242 2 1 5 42.204 84.408 0.436 3.02 4 113.0 124.0 243 3 4 3 42.252 84.504 0.436 3.02 4 104.6 106.1 244 5 2 -4 42.305 84.609 0.437 3.01 4 7.4 0.5 245 4 5 -1 42.399 84.798 0.438 3.0 4 71.6 49.6 246 5 2 2 42.501 85.001 0.439 2.99 4 143.0 197.0 247 2 6 1 42.678 85.355 0.44 2.98 4 121.7 142.1 248 3 3 -5 42.734 85.468 0.44 2.97 4 82.6 65.3 249 6 2 -1 42.821 85.642 0.441 2.97 4 32.4 10.0 250 5 4 -1 42.835 85.67 0.441 2.97 4 45.0 19.3 251 4 5 0 42.89 85.78 0.442 2.96 4 158.1 238.3 252 1 6 2 42.899 85.799 0.442 2.96 4 17.4 2.9 253 4 4 2 42.966 85.933 0.442 2.96 4 122.6 143.1 254 4 2 -5 42.971 85.942 0.442 2.96 4 94.0 84.0 255 3 5 2 42.983 85.965 0.443 2.96 4 31.2 9.3 256 2 6 -2 43.103 86.205 0.444 2.95 4 112.5 119.9 257 2 0 -6 43.147 86.295 0.444 2.94 2 223.9 237.4 258 6 2 -2 43.246 86.493 0.445 2.94 4 57.6 31.4 259 2 5 3 43.352 86.704 0.446 2.93 4 32.0 9.6 260 6 1 -3 43.37 86.74 0.446 2.93 4 54.9 28.4 261 1 3 5 43.456 86.911 0.446 2.92 4 63.7 38.1 262 4 5 -2 43.457 86.913 0.446 2.92 4 111.7 117.2 263 1 5 -4 43.509 87.017 0.447 2.92 4 20.5 3.9 264 1 1 -6 43.56 87.12 0.447 2.91 4 94.4 83.5 265 5 4 -2 43.576 87.152 0.447 2.91 4 139.0 181.0 266 5 4 0 43.641 87.282 0.448 2.91 4 55.5 28.8 267 2 1 -6 43.763 87.526 0.449 2.9 4 90.4 76.2 268 4 3 3 43.785 87.569 0.449 2.9 4 118.2 130.3 269 2 4 4 43.853 87.706 0.45 2.89 4 188.4 330.6 270 6 2 0 43.943 87.885 0.45 2.89 4 12.0 1.3 271 2 2 5 44.053 88.106 0.451 2.88 4 24.8 5.7 272 0 5 4 44.072 88.144 0.452 2.88 4 110.3 112.6 273 0 0 6 44.139 88.278 0.452 2.88 2 139.7 90.2 274 3 3 4 44.301 88.602 0.453 2.87 4 21.8 4.4 275 2 5 -4 44.343 88.685 0.454 2.86 4 158.4 231.3 276 3 6 -1 44.594 89.189 0.456 2.85 4 22.4 4.6 277 1 4 -5 44.608 89.215 0.456 2.85 4 14.8 2.0 278 4 4 -4 44.664 89.329 0.456 2.85 4 63.0 36.3 279 0 1 6 44.754 89.508 0.457 2.84 4 126.3 145.8 280 6 1 1 44.762 89.524 0.457 2.84 4 2.3 0.0 281 3 6 0 44.768 89.536 0.457 2.84 4 127.9 149.4 282 4 0 4 44.916 89.831 0.458 2.83 2 203.9 189.4 283 4 5 1 44.925 89.85 0.458 2.83 4 0.2 0.0 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 1 0 -1 8.161 16.323 5.42592 1086.2 9.7 9.8 5.6 2 1 1 0 8.707 17.413 5.08853 746.0 6.7 6.7 5.6 3 0 1 1 8.95 17.9 4.95133 2891.5 25.8 26.0 5.6 4 1 1 -1 10.122 20.243 4.38311 3007.0 26.9 27.0 5.6 5 1 0 1 10.167 20.334 4.36379 1240.6 11.1 11.1 5.6 6 1 1 1 11.81 23.62 3.76358 1306.8 11.7 11.7 5.6 7 0 2 0 11.957 23.914 3.718 818.9 7.3 7.3 5.6 8 2 0 0 12.754 25.508 3.48916 6450.4 57.7 57.7 5.6 9 0 0 2 13.423 26.846 3.31824 397.6 3.6 3.6 5.6 10 1 2 0 13.577 27.153 3.28132 11185.8 100.0 100.0 5.6 11 0 2 1 13.737 27.475 3.24365 688.4 6.2 6.2 5.6 12 2 1 0 14.114 28.229 3.15872 1345.5 12.0 12.0 5.6 13 2 1 -1 14.41 28.821 3.09516 734.0 6.6 6.6 5.6 14 0 1 2 14.726 29.452 3.03023 6861.2 61.3 61.2 5.6 15 1 1 -2 14.863 29.726 3.00294 3172.4 28.4 28.3 5.6 16 2 0 -2 16.495 32.989 2.71296 1901.3 17.0 16.9 5.6 17 2 1 1 16.842 33.684 2.65862 190.7 1.7 1.7 5.7 18 1 1 2 17.237 34.473 2.59948 1658.0 14.8 14.7 5.7 19 2 1 -2 17.592 35.183 2.54863 2134.5 19.1 19.0 5.7 20 2 2 0 17.623 35.246 2.54427 297.2 2.7 2.6 5.7 21 2 2 -1 17.866 35.733 2.5107 190.9 1.7 1.7 5.7 22 1 2 -2 18.242 36.484 2.46072 472.2 4.2 4.2 5.7 23 3 0 -1 19.058 38.117 2.35898 258.3 2.3 2.3 5.7 24 0 3 1 19.374 38.748 2.322 1551.1 13.9 13.7 5.7 25 2 2 1 19.925 39.849 2.26031 1661.8 14.9 14.7 5.7 26 1 0 -3 19.995 39.99 2.25268 1612.0 14.4 14.2 5.7 27 3 1 -1 20.033 40.067 2.24855 1344.3 12.0 11.9 5.7 28 3 1 0 20.302 40.604 2.22002 311.9 2.8 2.8 5.7 29 1 3 1 20.94 41.881 2.15525 442.7 4.0 3.9 5.7 30 2 1 2 21.587 43.174 2.09363 3061.7 27.4 27.0 5.7 31 3 0 1 21.943 43.885 2.06134 590.0 5.3 5.2 5.7 32 3 1 -2 22.077 44.153 2.04945 472.1 4.2 4.2 5.7 33 2 3 0 22.408 44.816 2.02069 143.8 1.3 1.3 5.7 34 2 3 -1 22.608 45.215 2.00375 1090.4 9.7 9.6 5.7 35 1 0 3 22.781 45.563 1.98928 435.2 3.9 3.8 5.7 36 0 3 2 22.823 45.647 1.98581 404.0 3.6 3.5 5.7 37 1 3 -2 22.918 45.836 1.97807 2686.6 24.0 23.6 5.7 38 3 2 0 22.993 45.985 1.97197 1811.4 16.2 15.9 5.7 39 0 2 3 23.902 47.804 1.90111 1148.9 10.3 10.1 5.7 40 2 3 1 24.334 48.668 1.86938 376.3 3.4 3.3 5.7 41 0 4 0 24.479 48.957 1.859 842.5 7.5 7.4 5.7 42 1 3 2 24.627 49.254 1.84847 3972.2 35.5 34.8 5.7 43 2 3 -2 24.894 49.788 1.82992 301.1 2.7 2.6 5.7 44 2 2 -3 25.096 50.192 1.81612 698.2 6.2 6.1 5.7 45 3 0 -3 25.207 50.414 1.80864 422.3 3.8 3.7 5.8 46 1 4 0 25.392 50.783 1.79635 691.1 6.2 6.0 5.8 47 1 4 -1 25.976 51.952 1.75864 179.7 1.6 1.6 5.8 48 4 0 0 26.201 52.403 1.74458 460.2 4.1 4.0 5.8 49 4 1 -1 26.36 52.719 1.73485 254.3 2.3 2.2 5.8 50 1 4 1 26.768 53.537 1.71028 507.2 4.5 4.4 5.8 51 4 0 -2 26.908 53.817 1.70203 826.9 7.4 7.2 5.8 52 4 1 0 26.969 53.939 1.69846 641.2 5.7 5.6 5.8 53 3 3 0 27.009 54.018 1.69618 418.8 3.7 3.6 5.8 54 3 1 2 27.084 54.167 1.69185 572.6 5.1 5.0 5.8 55 0 0 4 27.663 55.326 1.65912 736.8 6.6 6.4 5.8 56 1 1 -4 27.726 55.452 1.65565 206.8 1.8 1.8 5.8 57 2 4 0 28.001 56.003 1.64066 1014.3 9.1 8.8 5.8 58 2 3 2 28.055 56.111 1.63776 167.1 1.5 1.4 5.8 59 0 1 4 28.404 56.808 1.61931 227.1 2.0 2.0 5.8 60 3 3 -2 28.461 56.921 1.61635 804.5 7.2 7.0 5.8 61 2 1 -4 28.726 57.452 1.60268 565.5 5.1 4.9 5.8 62 2 2 3 29.729 59.458 1.5533 405.4 3.6 3.5 5.8 63 1 2 -4 29.91 59.82 1.54476 718.1 6.4 6.2 5.8 64 2 4 -2 30.152 60.304 1.53352 311.7 2.8 2.7 5.8 65 3 1 -4 31.3 62.601 1.48266 301.3 2.7 2.6 5.8 66 4 2 1 31.522 63.044 1.4733 389.2 3.5 3.3 5.9 67 3 0 3 31.975 63.95 1.4546 147.4 1.3 1.3 5.9 68 3 4 0 32.034 64.068 1.45221 301.0 2.7 2.6 5.9 69 4 3 -1 32.138 64.276 1.448 364.1 3.3 3.1 5.9 70 1 4 -3 32.495 64.99 1.43382 631.5 5.6 5.4 5.9 71 1 2 4 32.75 65.501 1.42386 1535.7 13.7 13.1 5.9 72 3 3 2 32.78 65.56 1.42271 800.1 7.2 6.8 5.9 73 1 5 1 33.175 66.349 1.40769 258.9 2.3 2.2 5.9 74 5 1 -1 33.292 66.584 1.40331 254.4 2.3 2.2 5.9 75 1 3 -4 33.354 66.709 1.40098 865.3 7.7 7.4 5.9 76 4 1 2 33.434 66.869 1.39801 377.9 3.4 3.2 5.9 77 2 0 4 33.728 67.456 1.38727 566.7 5.1 4.8 5.9 78 3 4 1 33.915 67.83 1.38052 231.1 2.1 2.0 5.9 79 5 1 0 34.163 68.326 1.37171 276.4 2.5 2.4 5.9 80 2 5 0 34.265 68.531 1.36811 221.7 2.0 1.9 5.9 81 1 4 3 34.55 69.099 1.35824 185.1 1.7 1.6 5.9 82 0 5 2 34.582 69.163 1.35713 879.7 7.9 7.5 5.9 83 1 1 -5 35.195 70.39 1.33645 221.7 2.0 1.9 5.9 84 4 1 -4 35.255 70.511 1.33446 564.8 5.0 4.8 5.9 85 2 1 -5 35.743 71.486 1.31863 157.1 1.4 1.3 5.9 86 5 0 -3 35.869 71.737 1.31463 141.0 1.3 1.2 5.9 87 5 0 1 36.006 72.011 1.3103 188.0 1.7 1.6 5.9 88 5 2 -2 36.054 72.108 1.30878 702.2 6.3 5.9 5.9 89 5 2 0 36.122 72.245 1.30664 364.9 3.3 3.1 5.9 90 2 5 -2 36.204 72.407 1.30411 452.6 4.0 3.8 5.9 91 3 4 -3 36.455 72.911 1.29634 248.9 2.2 2.1 6.0 92 3 3 -4 36.616 73.232 1.29144 688.9 6.2 5.8 6.0 93 4 4 0 37.265 74.53 1.27213 217.6 1.9 1.8 6.0 94 3 5 -1 37.754 75.509 1.25806 442.0 4.0 3.7 6.0 95 4 4 -2 37.85 75.7 1.25535 266.9 2.4 2.2 6.0 96 1 4 -4 37.904 75.807 1.25384 149.8 1.3 1.3 6.0 97 0 6 0 38.428 76.856 1.23933 209.1 1.9 1.8 6.0 98 0 4 4 38.483 76.966 1.23783 644.8 5.8 5.4 6.0 99 2 4 -4 38.76 77.52 1.23036 181.5 1.6 1.5 6.0 100 2 5 2 38.815 77.631 1.22888 738.3 6.6 6.2 6.0 101 1 6 0 39.143 78.285 1.22024 204.7 1.8 1.7 6.0 102 0 6 1 39.218 78.436 1.21827 148.1 1.3 1.2 6.0 103 5 3 0 39.3 78.601 1.21613 442.8 4.0 3.7 6.0 104 1 5 3 40.292 80.584 1.19113 115.9 1.0 1.0 6.1 105 5 1 -4 40.445 80.89 1.18739 187.4 1.7 1.6 6.1 106 1 4 4 40.479 80.959 1.18655 179.0 1.6 1.5 6.1 107 4 2 3 40.695 81.389 1.18136 121.8 1.1 1.0 6.1 108 6 0 -2 40.773 81.546 1.17949 277.5 2.5 2.3 6.1 109 2 3 -5 40.807 81.614 1.17868 141.9 1.3 1.2 6.1 110 0 3 5 41.171 82.341 1.1701 170.8 1.5 1.4 6.1 111 3 2 4 41.216 82.432 1.16903 413.8 3.7 3.4 6.1 112 2 6 0 41.267 82.534 1.16785 331.5 3.0 2.7 6.1 113 6 1 0 42.094 84.187 1.14908 314.2 2.8 2.6 6.1 114 2 1 5 42.204 84.408 1.14664 124.0 1.1 1.0 6.1 115 5 2 2 42.501 85.001 1.14014 197.0 1.8 1.6 6.1 116 2 6 1 42.678 85.355 1.13632 142.1 1.3 1.2 6.1 117 4 5 0 42.89 85.78 1.13178 241.2 2.2 2.0 6.1 118 4 4 2 42.966 85.933 1.13015 236.3 2.1 1.9 6.1 119 2 6 -2 43.103 86.205 1.12728 119.9 1.1 1.0 6.1 120 2 0 -6 43.147 86.295 1.12634 237.4 2.1 1.9 6.1 121 4 5 -2 43.457 86.913 1.11991 155.3 1.4 1.3 6.1 122 5 4 -2 43.576 87.152 1.11746 264.5 2.4 2.2 6.2 123 4 3 3 43.785 87.569 1.1132 206.4 1.8 1.7 6.2 124 2 4 4 43.853 87.706 1.11182 330.6 3.0 2.7 6.2 125 0 5 4 44.072 88.144 1.10742 118.3 1.1 1.0 6.2 126 2 5 -4 44.343 88.685 1.10206 231.3 2.1 1.9 6.2 127 3 6 0 44.768 89.536 1.09377 295.2 2.6 2.4 6.2 128 4 0 4 44.916 89.831 1.09095 189.4 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) |