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 3 PbCrO(4) Monoclinic P 2(1)/n Z = 2 R =0.039 18 .4 .1990 Ref.Str.: Effenberger H., Pertlik F. (1986) * Z. Kristallogr., 176, 75-83 Initial data from BDM-file Lattice parameters (cub. angs.,degr.): a = 7.127 alpha = 90.0 b = 7.438 beta = 102.43 c = 6.799 gamma = 90.0 Unit cell volume (cub. angs.) = 351.97 Molar volume ( cub.cm/mol.) = 106.0 Co-ordinates, thermal parameters, occupation for atomic positions: NoP x/a y/b z/c B(j) atom / occupation 1 0.2213 0.1454 0.3969 0.0 Pb = 1.00 2 0.2011 0.1636 0.8818 0.0 Cr = 1.00 3 0.2538 0.0042 0.0574 0.0 O = 1.00 4 0.1245 0.3425 0.989 0.0 O = 1.00 5 0.0295 0.0999 0.6858 0.0 O = 1.00 6 0.3859 0.2141 0.7819 0.0 O = 1.00 Co-ordinates for all atomic positions : No NoP x/a y/b z/c 1 1 0.2213 0.1454 0.3969 2 2 0.2011 0.1636 0.8818 3 3 0.2538 0.0042 0.0574 4 4 0.1245 0.3425 0.989 5 5 0.0295 0.0999 0.6858 6 6 0.3859 0.2141 0.7819 7 1 0.7787 0.8546 0.6031 8 2 0.7989 0.8364 0.1182 9 3 0.7462 0.9958 0.9426 10 4 0.8755 0.6575 0.011 11 5 0.9705 0.9001 0.3142 12 6 0.6141 0.7859 0.2181 13 1 0.7213 0.3546 0.8969 14 2 0.7011 0.3364 0.3818 15 3 0.7538 0.4958 0.5574 16 4 0.6245 0.1575 0.489 17 5 0.5295 0.4001 0.1858 18 6 0.8859 0.2859 0.2819 19 1 0.2787 0.6454 0.1031 20 2 0.2989 0.6636 0.6182 21 3 0.2462 0.5042 0.4426 22 4 0.3755 0.8425 0.511 23 5 0.4705 0.5999 0.8142 24 6 0.1141 0.7141 0.7181 X-ray density (g/cm cub.) = 6.1 MU (1/cm) = 1175.779 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 2.5916 3 3.081 4 2.6452 5 2.677 6 2.5316 5 2.8077 4 2.5714 6 2.6878 3 2.5534 4 2 Cr 2.628 4 1.6671 3 1.6642 4 1.6718 5 1.6502 6 3 O 3.264 7 2.6856 4 2.7761 5 2.7553 6 3.0401 5 3.0358 6 3.2494 4 3.1592 6 4 O 3.264 7 2.6856 3 2.7135 5 2.7377 6 2.9623 4 2.9399 5 2.9142 6 3.2494 3 5 O 3.264 8 2.7761 3 2.7135 4 2.6241 6 3.0401 3 2.8829 5 2.9399 4 3.0484 6 2.9307 6 6 O 3.264 8 2.7553 3 2.7377 4 2.6241 5 3.0358 3 2.9142 4 3.0484 5 3.1592 3 2.9307 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 8.167 16.334 0.092 96.16 2 84.8 1116.5 2 1 1 0 8.718 17.436 0.098 84.12 4 51.8 729.0 3 0 1 1 8.946 17.893 0.101 79.77 4 105.6 2874.5 4 1 1 -1 10.125 20.25 0.114 61.8 4 121.8 2959.8 5 1 0 1 10.18 20.359 0.115 61.12 2 119.5 1408.5 6 1 1 1 11.82 23.64 0.133 44.78 4 92.7 1242.0 7 0 2 0 11.954 23.907 0.134 43.74 2 109.2 841.5 8 2 0 0 12.788 25.576 0.144 37.96 2 323.4 6410.7 9 0 0 2 13.416 26.833 0.151 34.3 2 85.1 400.6 10 1 2 0 13.582 27.164 0.152 33.42 4 324.7 11376.1 11 0 2 1 13.733 27.466 0.154 32.65 4 81.3 696.6 12 2 1 0 14.145 28.29 0.159 30.66 4 117.0 1354.0 13 2 1 -1 14.433 28.866 0.162 29.37 4 87.3 723.3 14 1 2 -1 14.546 29.092 0.163 28.88 4 0.4 0.0 15 0 1 2 14.72 29.439 0.165 28.16 4 273.6 6804.4 16 1 1 -2 14.858 29.716 0.166 27.6 4 185.8 3075.3 17 1 2 1 15.8 31.599 0.177 24.19 4 9.6 7.1 18 2 0 -2 16.506 33.012 0.184 22.01 2 229.6 1873.2 19 2 1 1 16.872 33.743 0.188 20.98 4 49.4 165.1 20 1 1 2 17.243 34.485 0.192 20.01 4 159.7 1648.6 21 2 1 -2 17.602 35.204 0.196 19.13 4 185.0 2114.0 22 2 2 0 17.646 35.292 0.197 19.03 4 70.5 305.8 23 2 2 -1 17.883 35.767 0.199 18.48 4 57.2 194.9 24 0 2 2 18.121 36.242 0.202 17.95 4 1.1 0.1 25 1 2 -2 18.236 36.472 0.203 17.7 4 92.0 484.1 26 3 0 -1 19.104 38.208 0.212 15.98 2 95.8 236.8 27 1 3 0 19.257 38.514 0.214 15.7 4 45.0 102.5 28 0 3 1 19.368 38.736 0.215 15.5 4 176.2 1553.2 29 2 2 1 19.949 39.898 0.221 14.52 4 189.2 1677.6 30 1 3 -1 19.975 39.951 0.222 14.48 4 52.8 130.1 31 1 0 -3 19.984 39.968 0.222 14.46 2 253.5 1500.6 32 3 1 -1 20.077 40.153 0.223 14.31 4 172.4 1374.4 33 1 2 2 20.271 40.542 0.225 14.01 4 7.6 2.6 34 3 1 0 20.353 40.705 0.226 13.88 4 80.7 291.7 35 2 2 -2 20.585 41.17 0.228 13.54 4 35.9 56.3 36 2 0 2 20.7 41.399 0.229 13.37 2 14.5 4.5 37 1 1 -3 20.922 41.845 0.232 13.05 4 35.1 52.0 38 1 3 1 20.943 41.885 0.232 13.03 4 92.8 362.0 39 0 1 3 21.292 42.584 0.236 12.55 4 45.1 82.4 40 2 1 2 21.612 43.225 0.239 12.14 4 282.2 3121.9 41 3 0 1 21.996 43.991 0.243 11.67 2 178.0 596.8 42 3 1 -2 22.107 44.215 0.244 11.54 4 110.4 453.6 43 2 3 0 22.425 44.849 0.248 11.17 4 60.8 133.5 44 2 1 -3 22.6 45.2 0.249 10.98 4 3.7 0.5 45 2 3 -1 22.619 45.238 0.25 10.96 4 177.3 1111.5 46 1 0 3 22.783 45.567 0.251 10.78 2 155.9 422.7 47 3 2 -1 22.788 45.575 0.251 10.77 4 19.7 13.6 48 0 3 2 22.815 45.63 0.252 10.74 4 74.9 194.5 49 3 1 1 22.867 45.734 0.252 10.69 4 70.5 171.3 50 1 3 -2 22.911 45.821 0.253 10.64 4 282.4 2740.9 51 3 2 0 23.037 46.074 0.254 10.51 4 232.3 1831.0 52 1 2 -3 23.554 47.109 0.259 10.0 4 30.0 29.0 53 1 1 3 23.632 47.263 0.26 9.92 4 50.7 82.3 54 0 2 3 23.891 47.783 0.263 9.68 4 187.9 1103.0 55 2 2 2 24.185 48.37 0.266 9.41 4 31.1 29.5 56 2 3 1 24.352 48.705 0.268 9.27 4 107.7 347.1 57 0 4 0 24.471 48.943 0.269 9.17 2 240.1 853.0 58 1 3 2 24.628 49.256 0.271 9.03 4 282.8 2332.8 59 3 2 -2 24.639 49.278 0.271 9.02 4 246.3 1768.0 60 2 3 -2 24.898 49.796 0.273 8.81 4 102.1 296.6 61 2 2 -3 25.094 50.187 0.275 8.66 4 160.8 722.3 62 3 0 -3 25.225 50.45 0.277 8.55 2 177.2 433.5 63 3 2 1 25.34 50.68 0.278 8.47 4 28.4 22.1 64 1 4 0 25.39 50.779 0.278 8.43 4 158.5 683.4 65 0 4 1 25.479 50.958 0.279 8.36 4 31.1 26.1 66 1 4 -1 25.971 51.943 0.284 8.0 4 79.6 163.7 67 3 1 -3 26.013 52.026 0.285 7.98 4 11.3 3.3 68 1 2 3 26.05 52.1 0.285 7.95 4 19.1 9.4 69 4 0 0 26.276 52.552 0.287 7.79 2 190.4 456.4 70 4 1 -1 26.425 52.851 0.289 7.69 4 99.5 246.2 71 1 4 1 26.767 53.534 0.292 7.47 4 111.2 298.4 72 3 3 -1 26.825 53.649 0.293 7.44 4 86.3 178.8 73 4 0 -2 26.964 53.927 0.294 7.35 2 264.3 828.7 74 4 1 0 27.042 54.084 0.295 7.3 4 165.9 649.1 75 3 3 0 27.046 54.092 0.295 7.3 4 136.0 435.8 76 3 1 2 27.131 54.262 0.296 7.25 4 152.2 541.7 77 1 3 -3 27.507 55.015 0.3 7.02 4 12.8 3.7 78 2 1 3 27.556 55.112 0.3 6.99 4 60.1 81.6 79 0 0 4 27.649 55.298 0.301 6.94 2 223.6 560.2 80 1 1 -4 27.709 55.418 0.302 6.91 4 98.2 215.1 81 4 1 -2 27.717 55.434 0.302 6.9 4 96.9 209.3 82 0 3 3 27.809 55.619 0.303 6.85 4 15.5 5.3 83 2 0 -4 27.98 55.961 0.305 6.76 2 156.5 267.3 84 2 4 0 28.013 56.026 0.305 6.74 4 184.6 741.1 85 2 3 2 28.073 56.146 0.305 6.71 4 88.2 168.6 86 2 4 -1 28.179 56.357 0.307 6.65 4 5.3 0.6 87 3 2 -3 28.284 56.567 0.308 6.59 4 21.3 9.7 88 0 4 2 28.346 56.692 0.308 6.56 4 55.3 64.9 89 0 1 4 28.39 56.779 0.309 6.54 4 103.4 225.9 90 1 4 -2 28.428 56.856 0.309 6.52 4 53.2 59.5 91 3 3 -2 28.483 56.966 0.31 6.49 4 185.9 724.2 92 4 2 -1 28.674 57.347 0.311 6.39 4 8.1 1.4 93 2 1 -4 28.716 57.431 0.312 6.37 4 166.1 567.5 94 2 3 -3 28.895 57.789 0.314 6.28 4 7.2 1.1 95 3 3 1 29.119 58.238 0.316 6.17 4 23.4 10.9 96 4 2 0 29.258 58.517 0.317 6.11 4 12.5 3.1 97 3 2 2 29.343 58.686 0.318 6.07 4 79.0 122.2 98 4 1 1 29.486 58.972 0.32 6.0 4 13.6 3.6 99 2 4 1 29.675 59.35 0.321 5.92 4 51.9 51.5 100 2 2 3 29.747 59.494 0.322 5.88 4 144.8 398.1 101 1 3 3 29.767 59.534 0.322 5.88 4 64.2 78.2 102 1 2 -4 29.893 59.785 0.324 5.82 4 194.9 713.8 103 4 2 -2 29.9 59.8 0.324 5.82 4 68.1 87.1 104 1 4 2 29.916 59.832 0.324 5.81 4 16.9 5.3 105 2 4 -2 30.153 60.306 0.326 5.71 4 131.2 317.5 106 0 2 4 30.542 61.085 0.33 5.55 4 59.7 63.9 107 1 1 4 30.685 61.37 0.331 5.49 4 20.8 7.7 108 4 1 -3 30.755 61.511 0.332 5.46 4 1.5 0.0 109 2 2 -4 30.854 61.708 0.333 5.42 4 46.9 38.5 110 3 1 -4 31.305 62.61 0.337 5.25 4 132.1 296.1 111 4 2 1 31.592 63.185 0.34 5.15 4 152.4 386.3 112 3 3 -3 31.83 63.659 0.342 5.06 4 27.2 12.1 113 3 4 -1 31.866 63.731 0.343 5.05 4 32.0 16.7 114 1 5 0 31.971 63.943 0.344 5.02 4 25.4 10.5 115 3 0 3 32.019 64.038 0.344 5.0 2 131.8 140.3 116 0 5 1 32.049 64.097 0.344 4.99 4 59.3 56.7 117 3 4 0 32.065 64.13 0.345 4.98 4 118.7 226.9 118 4 3 -1 32.193 64.386 0.346 4.94 4 152.8 372.3 119 1 5 -1 32.475 64.95 0.349 4.85 4 132.6 275.2 120 1 4 -3 32.481 64.962 0.349 4.85 4 150.3 353.7 121 3 1 3 32.699 65.397 0.351 4.78 4 71.9 79.8 122 5 0 -1 32.711 65.422 0.351 4.77 2 26.8 5.5 123 4 3 0 32.74 65.481 0.351 4.76 4 45.6 31.9 124 1 2 4 32.747 65.493 0.351 4.76 4 259.3 1033.9 125 0 4 3 32.755 65.509 0.351 4.76 4 69.8 74.8 126 4 2 -3 32.815 65.629 0.352 4.74 4 141.5 306.4 127 3 3 2 32.82 65.639 0.352 4.74 4 232.8 829.3 128 4 0 2 32.837 65.673 0.352 4.73 2 147.9 167.1 129 2 4 2 32.994 65.988 0.353 4.69 4 36.5 20.2 130 1 5 1 33.17 66.341 0.355 4.63 4 116.1 201.7 131 2 3 3 33.199 66.398 0.355 4.63 4 67.6 68.2 132 1 3 -4 33.336 66.672 0.357 4.58 4 176.5 461.1 133 4 3 -2 33.343 66.686 0.357 4.58 4 32.8 15.9 134 3 2 -4 33.345 66.69 0.357 4.58 4 121.5 218.3 135 3 4 -2 33.367 66.735 0.357 4.58 4 115.9 198.3 136 5 1 -1 33.383 66.767 0.357 4.57 4 126.2 234.9 137 4 1 2 33.508 67.015 0.358 4.54 4 158.8 369.5 138 2 0 4 33.744 67.487 0.361 4.47 2 272.7 536.4 139 2 4 -3 33.744 67.487 0.361 4.47 4 54.1 42.2 140 0 3 4 33.949 67.897 0.362 4.41 4 63.6 57.5 141 3 4 1 33.949 67.898 0.363 4.41 4 122.7 214.3 142 5 1 -2 34.173 68.346 0.365 4.35 4 35.7 17.9 143 2 3 -4 34.243 68.487 0.365 4.33 4 43.2 26.1 144 5 1 0 34.262 68.523 0.365 4.33 4 140.2 274.8 145 2 5 0 34.272 68.545 0.366 4.33 4 119.4 199.1 146 2 1 4 34.406 68.811 0.367 4.29 4 7.5 0.8 147 2 5 -1 34.42 68.84 0.367 4.29 4 40.9 23.1 148 1 0 -5 34.516 69.033 0.368 4.26 2 25.7 4.5 149 1 4 3 34.545 69.091 0.368 4.26 4 108.3 161.2 150 0 5 2 34.57 69.139 0.368 4.25 4 246.4 833.2 151 4 0 -4 34.627 69.253 0.369 4.24 2 101.0 69.8 152 1 5 -2 34.643 69.286 0.369 4.23 4 26.1 9.3 153 3 2 3 34.696 69.392 0.369 4.22 4 3.0 0.1 154 4 3 1 34.944 69.888 0.372 4.16 4 59.7 47.8 155 1 1 -5 35.172 70.343 0.374 4.1 4 128.5 218.9 156 4 1 -4 35.281 70.562 0.375 4.08 4 208.4 571.9 157 5 2 -1 35.362 70.723 0.376 4.06 4 8.2 0.9 158 4 2 2 35.483 70.965 0.377 4.03 4 45.0 26.4 159 2 1 -5 35.724 71.448 0.379 3.98 4 95.8 118.0 160 2 5 1 35.767 71.534 0.379 3.97 4 42.8 23.4 161 5 0 -3 35.936 71.873 0.381 3.93 2 148.3 139.6 162 1 5 2 35.986 71.972 0.381 3.92 4 1.8 0.0 163 1 3 4 36.044 72.088 0.382 3.91 4 55.8 39.4 164 0 1 5 36.103 72.205 0.382 3.9 4 86.2 93.5 165 4 3 -3 36.109 72.218 0.383 3.9 4 25.8 8.4 166 5 0 1 36.11 72.219 0.383 3.9 2 179.2 202.0 167 5 2 -2 36.132 72.263 0.383 3.89 4 229.3 660.8 168 2 5 -2 36.201 72.403 0.383 3.88 4 191.8 460.6 169 5 2 0 36.218 72.436 0.384 3.87 4 140.5 246.9 170 2 2 4 36.358 72.717 0.385 3.84 4 82.5 84.5 171 3 4 -3 36.464 72.928 0.386 3.82 4 137.5 233.3 172 5 1 -3 36.581 73.161 0.387 3.8 4 59.5 43.4 173 3 3 -4 36.617 73.235 0.387 3.79 4 239.5 702.8 174 5 1 1 36.753 73.505 0.388 3.77 4 56.0 38.2 175 4 4 -1 36.806 73.611 0.389 3.76 4 23.9 6.9 176 3 0 -5 37.096 74.193 0.392 3.7 2 100.3 60.2 177 1 2 -5 37.107 74.215 0.392 3.7 4 7.8 0.7 178 4 2 -4 37.214 74.429 0.393 3.68 4 33.5 13.4 179 4 4 0 37.321 74.642 0.394 3.66 4 135.4 216.7 180 3 4 2 37.396 74.791 0.394 3.65 4 38.3 17.3 181 2 2 -5 37.648 75.297 0.396 3.6 4 26.2 8.0 182 3 1 -5 37.733 75.466 0.397 3.59 4 94.1 102.7 183 2 4 3 37.754 75.509 0.397 3.59 4 67.5 52.8 184 3 5 -1 37.775 75.55 0.398 3.58 4 160.0 295.9 185 1 0 5 37.842 75.683 0.398 3.57 2 1.4 0.0 186 1 4 -4 37.884 75.768 0.399 3.56 4 114.5 150.9 187 4 4 -2 37.891 75.781 0.399 3.56 4 147.3 249.7 188 3 3 3 37.917 75.834 0.399 3.56 4 48.2 26.7 189 3 5 0 37.96 75.919 0.399 3.55 4 2.8 0.1 190 0 2 5 38.02 76.039 0.4 3.54 4 11.0 1.4 191 1 5 -3 38.346 76.693 0.403 3.49 4 30.5 10.5 192 0 6 0 38.416 76.831 0.403 3.48 2 197.9 219.8 193 0 4 4 38.465 76.931 0.404 3.47 4 174.0 339.0 194 1 1 5 38.474 76.948 0.404 3.47 4 142.9 228.7 195 5 2 -3 38.489 76.978 0.404 3.47 4 4.2 0.2 196 5 3 -1 38.561 77.122 0.405 3.45 4 78.6 68.9 197 0 5 3 38.601 77.203 0.405 3.45 4 37.1 15.3 198 5 2 1 38.658 77.316 0.405 3.44 4 36.1 14.5 199 4 3 2 38.678 77.356 0.406 3.44 4 75.1 62.6 200 2 4 -4 38.746 77.492 0.406 3.43 4 125.7 174.9 201 2 5 2 38.825 77.65 0.407 3.42 4 241.7 644.1 202 4 1 3 38.89 77.779 0.408 3.41 4 101.6 113.6 203 1 6 0 39.134 78.269 0.41 3.37 4 133.7 194.7 204 3 5 -2 39.175 78.349 0.41 3.36 4 20.2 4.4 205 0 6 1 39.205 78.41 0.41 3.36 4 86.5 81.2 206 5 3 -2 39.307 78.615 0.411 3.35 4 71.2 54.7 207 3 1 4 39.385 78.771 0.412 3.34 4 34.6 12.9 208 5 3 0 39.391 78.783 0.412 3.33 4 208.6 468.3 209 4 4 1 39.415 78.83 0.412 3.33 4 72.6 56.7 210 2 3 4 39.528 79.056 0.413 3.32 4 9.2 0.9 211 2 5 -3 39.528 79.056 0.413 3.32 4 25.6 7.0 212 1 6 -1 39.598 79.195 0.414 3.31 4 60.5 39.1 213 3 2 -5 39.623 79.245 0.414 3.3 4 4.4 0.2 214 3 5 1 39.722 79.443 0.415 3.29 4 88.6 83.4 215 1 6 1 40.241 80.482 0.419 3.22 4 55.3 31.9 216 1 3 -5 40.258 80.515 0.419 3.22 4 67.0 46.8 217 1 5 3 40.285 80.57 0.42 3.22 4 77.0 61.6 218 1 2 5 40.353 80.707 0.42 3.21 4 12.7 1.7 219 4 3 -4 40.362 80.724 0.42 3.21 4 77.1 61.7 220 1 4 4 40.472 80.943 0.421 3.2 4 125.7 163.1 221 5 1 -4 40.497 80.995 0.422 3.19 4 134.5 186.7 222 4 4 -3 40.534 81.069 0.422 3.19 4 49.1 24.8 223 5 1 2 40.747 81.495 0.424 3.17 4 83.8 71.8 224 4 2 3 40.764 81.528 0.424 3.16 4 103.9 110.2 225 2 3 -5 40.786 81.572 0.424 3.16 4 122.7 153.7 226 6 0 -2 40.887 81.774 0.425 3.15 2 237.2 286.2 227 3 4 -4 41.025 82.05 0.426 3.14 4 53.6 29.1 228 6 1 -1 41.09 82.18 0.427 3.13 4 73.4 54.5 229 4 1 -5 41.128 82.256 0.427 3.12 4 76.3 58.8 230 0 3 5 41.149 82.299 0.427 3.12 4 133.7 180.2 231 3 2 4 41.254 82.508 0.428 3.11 4 203.0 414.0 232 2 6 0 41.27 82.54 0.428 3.11 4 183.4 337.6 233 2 6 -1 41.409 82.818 0.429 3.1 4 39.6 15.7 234 6 1 -2 41.507 83.013 0.43 3.09 4 44.9 20.1 235 0 6 2 41.55 83.099 0.431 3.08 4 67.8 45.8 236 6 0 0 41.609 83.217 0.431 3.08 2 89.0 39.3 237 5 3 -3 41.609 83.218 0.431 3.08 4 26.8 7.1 238 1 6 -2 41.618 83.237 0.431 3.07 4 62.8 39.1 239 5 3 1 41.775 83.55 0.432 3.06 4 4.5 0.2 240 3 5 -3 42.115 84.231 0.435 3.03 4 32.2 10.1 241 2 1 5 42.215 84.429 0.436 3.02 4 105.1 107.7 242 6 1 0 42.227 84.454 0.436 3.02 4 177.6 307.2 243 3 4 3 42.286 84.573 0.437 3.01 4 100.1 97.5 244 5 2 -4 42.355 84.711 0.437 3.01 4 6.0 0.3 245 4 5 -1 42.444 84.888 0.438 3.0 4 67.6 44.3 246 5 2 2 42.604 85.207 0.439 2.99 4 142.3 195.1 247 2 6 1 42.683 85.365 0.44 2.98 4 116.4 130.4 248 3 3 -5 42.724 85.448 0.44 2.98 4 80.9 62.9 249 1 6 2 42.891 85.782 0.442 2.96 4 15.4 2.3 250 5 4 -1 42.914 85.829 0.442 2.96 4 43.8 18.3 251 4 5 0 42.941 85.882 0.442 2.96 4 161.3 248.5 252 6 2 -1 42.944 85.888 0.442 2.96 4 32.2 9.9 253 4 2 -5 42.982 85.963 0.443 2.96 4 93.6 83.6 254 3 5 2 43.013 86.027 0.443 2.95 4 31.7 9.6 255 4 4 2 43.029 86.058 0.443 2.95 4 123.1 144.5 256 2 6 -2 43.097 86.194 0.443 2.95 4 114.1 123.9 257 2 0 -6 43.119 86.237 0.444 2.95 2 231.1 253.9 258 6 2 -2 43.358 86.716 0.446 2.93 4 57.9 31.7 259 2 5 3 43.361 86.722 0.446 2.93 4 29.7 8.4 260 1 3 5 43.445 86.891 0.446 2.92 4 64.3 39.0 261 6 1 -3 43.47 86.94 0.447 2.92 4 55.2 28.7 262 1 5 -4 43.487 86.973 0.447 2.92 4 20.7 4.1 263 4 5 -2 43.493 86.986 0.447 2.92 4 111.8 117.8 264 1 1 -6 43.529 87.057 0.447 2.92 4 94.6 84.3 265 5 4 -2 43.646 87.291 0.448 2.91 4 140.0 183.9 266 5 4 0 43.728 87.456 0.449 2.9 4 54.3 27.6 267 2 1 -6 43.734 87.468 0.449 2.9 4 91.6 78.6 268 4 3 3 43.851 87.703 0.45 2.89 4 124.9 145.7 269 2 4 4 43.862 87.725 0.45 2.89 4 183.7 315.3 270 0 5 4 44.052 88.104 0.451 2.88 4 111.6 115.9 271 2 2 5 44.062 88.125 0.451 2.88 4 30.9 8.9 272 6 2 0 44.074 88.149 0.452 2.88 4 11.7 1.3 273 0 0 6 44.113 88.226 0.452 2.88 2 141.3 92.7 274 2 5 -4 44.326 88.652 0.454 2.86 4 162.6 244.6 275 3 3 4 44.337 88.674 0.454 2.86 4 22.7 4.8 276 1 4 -5 44.581 89.161 0.456 2.85 4 12.4 1.4 277 3 6 -1 44.611 89.221 0.456 2.85 4 23.4 5.0 278 4 4 -4 44.684 89.367 0.456 2.84 4 61.6 34.9 279 0 1 6 44.728 89.455 0.457 2.84 4 127.3 148.8 280 3 6 0 44.79 89.579 0.457 2.84 4 123.8 140.6 281 6 1 1 44.902 89.805 0.458 2.83 4 0.1 0.0 282 4 5 1 44.981 89.961 0.459 2.83 4 2.2 0.0 283 4 0 4 44.986 89.972 0.459 2.83 2 212.6 206.4 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 8.167 16.334 5.42233 1116.5 9.8 9.9 5.6 2 1 1 0 8.718 17.436 5.08203 729.0 6.4 6.5 5.6 3 0 1 1 8.946 17.893 4.95323 2874.5 25.3 25.4 5.6 4 1 1 -1 10.125 20.25 4.38162 2959.8 26.0 26.2 5.6 5 1 0 1 10.18 20.359 4.35842 1408.5 12.4 12.4 5.6 6 1 1 1 11.82 23.64 3.7604 1242.0 10.9 10.9 5.6 7 0 2 0 11.954 23.907 3.719 841.5 7.4 7.4 5.6 8 2 0 0 12.788 25.576 3.47997 6410.7 56.4 56.4 5.6 9 0 0 2 13.416 26.833 3.31981 400.6 3.5 3.5 5.6 10 1 2 0 13.582 27.164 3.28009 11376.1 100.0 100.0 5.6 11 0 2 1 13.733 27.466 3.24468 696.6 6.1 6.1 5.6 12 2 1 0 14.145 28.29 3.15204 1354.0 11.9 11.9 5.6 13 2 1 -1 14.433 28.866 3.09045 723.3 6.4 6.3 5.6 14 0 1 2 14.72 29.439 3.03156 6804.4 59.8 59.7 5.6 15 1 1 -2 14.858 29.716 3.00391 3075.3 27.0 27.0 5.6 16 2 0 -2 16.506 33.012 2.71117 1873.2 16.5 16.4 5.6 17 2 1 1 16.872 33.743 2.65405 165.1 1.5 1.4 5.7 18 1 1 2 17.243 34.485 2.59863 1648.6 14.5 14.4 5.7 19 2 1 -2 17.602 35.204 2.54723 2114.0 18.6 18.5 5.7 20 2 2 0 17.646 35.292 2.54101 305.8 2.7 2.7 5.7 21 2 2 -1 17.883 35.767 2.50841 194.9 1.7 1.7 5.7 22 1 2 -2 18.236 36.472 2.46147 484.1 4.3 4.2 5.7 23 3 0 -1 19.104 38.208 2.35356 236.8 2.1 2.1 5.7 24 0 3 1 19.368 38.736 2.32268 1553.2 13.7 13.5 5.7 25 2 2 1 19.949 39.898 2.25767 1807.7 15.9 15.7 5.7 26 1 0 -3 19.984 39.968 2.25389 1500.6 13.2 13.0 5.7 27 3 1 -1 20.077 40.153 2.2439 1374.4 12.1 11.9 5.7 28 3 1 0 20.353 40.705 2.21475 291.7 2.6 2.5 5.7 29 1 3 1 20.943 41.885 2.15504 414.1 3.6 3.6 5.7 30 2 1 2 21.612 43.225 2.0913 3121.9 27.4 27.0 5.7 31 3 0 1 21.996 43.991 2.05662 596.8 5.2 5.2 5.7 32 3 1 -2 22.107 44.215 2.04675 453.6 4.0 3.9 5.7 33 2 3 0 22.425 44.849 2.01926 133.5 1.2 1.2 5.7 34 2 3 -1 22.619 45.238 2.00278 1111.5 9.8 9.6 5.7 35 1 0 3 22.783 45.567 1.98912 436.3 3.8 3.8 5.7 36 0 3 2 22.815 45.63 1.98649 194.5 1.7 1.7 5.7 37 3 1 1 22.867 45.734 1.98224 171.3 1.5 1.5 5.7 38 1 3 -2 22.911 45.821 1.97865 2740.9 24.1 23.7 5.7 39 3 2 0 23.037 46.074 1.96838 1831.0 16.1 15.8 5.7 40 0 2 3 23.891 47.783 1.9019 1103.0 9.7 9.5 5.7 41 2 3 1 24.352 48.705 1.86804 347.1 3.1 3.0 5.7 42 0 4 0 24.471 48.943 1.8595 853.0 7.5 7.3 5.7 43 1 3 2 24.628 49.256 1.84841 4100.8 36.0 35.3 5.7 44 2 3 -2 24.898 49.796 1.82963 296.6 2.6 2.6 5.7 45 2 2 -3 25.094 50.187 1.81628 722.3 6.3 6.2 5.7 46 3 0 -3 25.225 50.45 1.80744 433.5 3.8 3.7 5.8 47 1 4 0 25.39 50.779 1.79649 683.4 6.0 5.9 5.8 48 1 4 -1 25.971 51.943 1.75895 163.7 1.4 1.4 5.8 49 4 0 0 26.276 52.552 1.73999 456.4 4.0 3.9 5.8 50 4 1 -1 26.425 52.851 1.73085 246.2 2.2 2.1 5.8 51 1 4 1 26.767 53.534 1.71034 298.4 2.6 2.6 5.8 52 3 3 -1 26.825 53.649 1.70695 178.8 1.6 1.5 5.8 53 4 0 -2 26.964 53.927 1.6988 828.7 7.3 7.1 5.8 54 4 1 0 27.042 54.084 1.69424 1084.9 9.5 9.3 5.8 55 3 1 2 27.131 54.262 1.68911 541.7 4.8 4.6 5.8 56 0 0 4 27.649 55.298 1.65991 560.2 4.9 4.8 5.8 57 1 1 -4 27.709 55.418 1.65659 424.5 3.7 3.6 5.8 58 2 0 -4 27.98 55.961 1.6418 267.3 2.3 2.3 5.8 59 2 4 0 28.013 56.026 1.64005 741.1 6.5 6.3 5.8 60 2 3 2 28.073 56.146 1.63681 168.6 1.5 1.4 5.8 61 0 1 4 28.39 56.779 1.62006 225.9 2.0 1.9 5.8 62 3 3 -2 28.483 56.966 1.61519 724.2 6.4 6.2 5.8 63 2 1 -4 28.716 57.431 1.60321 567.5 5.0 4.8 5.8 64 3 2 2 29.343 58.686 1.57188 122.2 1.1 1.0 5.8 65 2 2 3 29.747 59.494 1.55244 476.2 4.2 4.0 5.8 66 1 2 -4 29.893 59.785 1.54557 806.2 7.1 6.8 5.8 67 2 4 -2 30.153 60.306 1.53347 317.5 2.8 2.7 5.8 68 3 1 -4 31.305 62.61 1.48247 296.1 2.6 2.5 5.8 69 4 2 1 31.592 63.185 1.47035 386.3 3.4 3.3 5.9 70 3 0 3 32.019 64.038 1.45281 140.3 1.2 1.2 5.9 71 3 4 0 32.065 64.13 1.45095 283.6 2.5 2.4 5.9 72 4 3 -1 32.193 64.386 1.44579 372.3 3.3 3.1 5.9 73 1 4 -3 32.481 64.962 1.43436 628.9 5.5 5.3 5.9 74 0 4 3 32.755 65.509 1.4237 1140.6 10.0 9.6 5.9 75 3 3 2 32.82 65.639 1.42119 1302.8 11.5 11.0 5.9 76 1 5 1 33.17 66.341 1.40785 269.9 2.4 2.3 5.9 77 1 3 -4 33.336 66.672 1.40166 695.2 6.1 5.8 5.9 78 5 1 -1 33.383 66.767 1.3999 433.2 3.8 3.6 5.9 79 4 1 2 33.508 67.015 1.39532 369.5 3.2 3.1 5.9 80 2 0 4 33.744 67.487 1.3867 578.6 5.1 4.8 5.9 81 3 4 1 33.949 67.898 1.3793 271.9 2.4 2.3 5.9 82 2 5 0 34.272 68.545 1.36786 500.0 4.4 4.2 5.9 83 0 5 2 34.57 69.139 1.35754 998.9 8.8 8.3 5.9 84 1 1 -5 35.172 70.343 1.33722 218.9 1.9 1.8 5.9 85 4 1 -4 35.281 70.562 1.33362 571.9 5.0 4.8 5.9 86 2 1 -5 35.724 71.448 1.31924 118.0 1.0 1.0 5.9 87 5 0 -3 35.936 71.873 1.31249 139.6 1.2 1.2 5.9 88 5 2 -2 36.132 72.263 1.30635 964.7 8.5 8.0 5.9 89 2 5 -2 36.201 72.403 1.30418 707.5 6.2 5.9 5.9 90 3 4 -3 36.464 72.928 1.29607 233.3 2.1 1.9 6.0 91 3 3 -4 36.617 73.235 1.2914 702.8 6.2 5.8 6.0 92 4 4 0 37.321 74.642 1.27051 216.7 1.9 1.8 6.0 93 3 1 -5 37.733 75.466 1.25866 155.5 1.4 1.3 6.0 94 3 5 -1 37.775 75.55 1.25747 295.9 2.6 2.4 6.0 95 4 4 -2 37.891 75.781 1.25421 427.3 3.8 3.5 6.0 96 0 6 0 38.416 76.831 1.23967 219.8 1.9 1.8 6.0 97 0 4 4 38.465 76.931 1.23831 567.8 5.0 4.7 6.0 98 2 4 -4 38.746 77.492 1.23073 174.9 1.5 1.4 6.0 99 2 5 2 38.825 77.65 1.22863 644.1 5.7 5.3 6.0 100 1 6 0 39.134 78.269 1.22046 194.7 1.7 1.6 6.0 101 4 4 1 39.415 78.83 1.21317 537.8 4.7 4.4 6.0 102 1 3 -5 40.258 80.515 1.19197 140.2 1.2 1.1 6.1 103 5 1 -4 40.497 80.995 1.18612 349.8 3.1 2.9 6.1 104 4 2 3 40.764 81.528 1.17971 335.7 3.0 2.7 6.1 105 6 0 -2 40.887 81.774 1.17678 286.2 2.5 2.3 6.1 106 0 3 5 41.149 82.299 1.1706 238.9 2.1 1.9 6.1 107 3 2 4 41.254 82.508 1.16816 751.6 6.6 6.1 6.1 108 6 1 0 42.227 84.454 1.14614 414.9 3.6 3.4 6.1 109 5 2 2 42.604 85.207 1.13792 195.1 1.7 1.6 6.1 110 2 6 1 42.683 85.365 1.13621 130.4 1.1 1.1 6.1 111 4 5 0 42.941 85.882 1.13069 279.0 2.5 2.2 6.1 112 4 4 2 43.029 86.058 1.12883 154.0 1.4 1.2 6.1 113 2 0 -6 43.119 86.237 1.12695 377.8 3.3 3.0 6.1 114 4 5 -2 43.493 86.986 1.11916 121.9 1.1 1.0 6.1 115 5 4 -2 43.646 87.291 1.11603 183.9 1.6 1.5 6.2 116 2 4 4 43.862 87.725 1.11163 461.0 4.1 3.7 6.2 117 0 5 4 44.052 88.104 1.10782 126.1 1.1 1.0 6.2 118 2 5 -4 44.326 88.652 1.10239 249.3 2.2 2.0 6.2 119 0 1 6 44.728 89.455 1.09456 148.8 1.3 1.2 6.2 120 3 6 0 44.79 89.579 1.09336 140.6 1.2 1.1 6.2 121 4 0 4 44.986 89.972 1.08961 206.4 1.8 1.6 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) |