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 *** *********************** CARMINITE 2, f-arsendescloizite PbFe(2)[AsO(4)](2)(OH)(2) Orthorhombic C ccm Z = 8 R =0.033 NR =913 29 .6 .1999 Ref.Str.: Kharisun, Taylor M.R., Bevan D.J.M., Pring (1996) * Mineral. Mag., 60, 805-811 Reserv: See U(ij) in the original. N.A.D. Initial data from BDM-file Lattice parameters (cub. angs.,degr.): a = 16.591 alpha = 90.0 b = 7.58 beta = 90.0 c = 12.285 gamma = 90.0 Unit cell volume (cub. angs.) = 1544.96 Molar volume ( cub.cm/mol.) = 116.32 Co-ordinates, thermal parameters, occupation for atomic positions: NoP x/a y/b z/c B(j) atom / occupation 1 0.0 0.0 0.25 0.0 Pb = 1.00 2 0.25 0.75 0.0 0.0 Pb = 1.00 3 0.0429 0.7384 0.0 0.0 As = 1.00 4 0.2119 0.0 0.25 0.0 As = 1.00 5 0.3775 0.13 0.1352 0.0 Fe = 1.00 6 0.0172 0.2469 0.1114 0.0 O = 1.00 7 0.0923 0.5401 0.0 0.0 O = 1.00 8 0.1121 0.8959 0.0 0.0 O = 1.00 9 0.1512 0.1758 0.2415 0.0 O = 1.00 10 0.2723 0.9966 0.139 0.0 O = 1.00 11 0.169 0.2387 0.0 0.0 O = 1.00 12 0.4222 0.0 0.25 0.0 O = 1.00 Co-ordinates for all atomic positions : No NoP x/a y/b z/c 1 1 0.0 0.0 0.25 2 2 0.25 0.75 0.0 3 3 0.0429 0.7384 0.0 4 4 0.2119 0.0 0.25 5 5 0.3775 0.13 0.1352 6 6 0.0172 0.2469 0.1114 7 7 0.0923 0.5401 0.0 8 8 0.1121 0.8959 0.0 9 9 0.1512 0.1758 0.2415 10 10 0.2723 0.9966 0.139 11 11 0.169 0.2387 0.0 12 12 0.4222 0.0 0.25 13 2 0.75 0.25 0.0 14 3 0.9571 0.2616 0.0 15 4 0.7881 0.0 0.25 16 5 0.6225 0.87 0.1352 17 6 0.9828 0.7531 0.1114 18 7 0.9077 0.4599 0.0 19 8 0.8879 0.1041 0.0 20 9 0.8488 0.8242 0.2415 21 10 0.7277 0.0034 0.139 22 11 0.831 0.7613 0.0 23 12 0.5778 0.0 0.25 24 1 0.0 0.0 0.75 25 2 0.75 0.75 0.5 26 3 0.9571 0.7384 0.5 27 4 0.7881 0.0 0.75 28 5 0.6225 0.13 0.6352 29 6 0.9828 0.2469 0.6114 30 7 0.9077 0.5401 0.5 31 8 0.8879 0.8959 0.5 32 9 0.8488 0.1758 0.7415 33 10 0.7277 0.9966 0.639 34 11 0.831 0.2387 0.5 35 12 0.5778 0.0 0.75 36 2 0.25 0.25 0.5 37 3 0.0429 0.2616 0.5 38 4 0.2119 0.0 0.75 39 5 0.3775 0.87 0.6352 40 6 0.0172 0.7531 0.6114 41 7 0.0923 0.4599 0.5 42 8 0.1121 0.1041 0.5 43 9 0.1512 0.8242 0.7415 44 10 0.2723 0.0034 0.639 45 11 0.169 0.7613 0.5 46 12 0.4222 0.0 0.75 47 5 0.3775 0.13 0.8648 48 6 0.0172 0.2469 0.8886 49 9 0.1512 0.1758 0.7585 50 10 0.2723 0.9966 0.861 51 5 0.6225 0.87 0.8648 52 6 0.9828 0.7531 0.8886 53 9 0.8488 0.8242 0.7585 54 10 0.7277 0.0034 0.861 55 5 0.6225 0.13 0.3648 56 6 0.9828 0.2469 0.3886 57 9 0.8488 0.1758 0.2585 58 10 0.7277 0.9966 0.361 59 5 0.3775 0.87 0.3648 60 6 0.0172 0.7531 0.3886 61 9 0.1512 0.8242 0.2585 62 10 0.2723 0.0034 0.361 63 1 0.5 0.5 0.25 64 3 0.4571 0.7616 0.0 65 4 0.2881 0.5 0.25 66 5 0.1225 0.37 0.1352 67 6 0.4828 0.2531 0.1114 68 7 0.4077 0.9599 0.0 69 8 0.3879 0.6041 0.0 70 9 0.3488 0.3242 0.2415 71 10 0.2277 0.5034 0.139 72 11 0.331 0.2613 0.0 73 12 0.0778 0.5 0.25 74 3 0.5429 0.2384 0.0 75 4 0.7119 0.5 0.25 76 5 0.8775 0.63 0.1352 77 6 0.5172 0.7469 0.1114 78 7 0.5923 0.0401 0.0 79 8 0.6121 0.3959 0.0 80 9 0.6512 0.6758 0.2415 81 10 0.7723 0.4966 0.139 82 11 0.669 0.7387 0.0 83 12 0.9222 0.5 0.25 84 1 0.5 0.5 0.75 85 3 0.5429 0.7616 0.5 86 4 0.7119 0.5 0.75 87 5 0.8775 0.37 0.6352 88 6 0.5172 0.2531 0.6114 89 7 0.5923 0.9599 0.5 90 8 0.6121 0.6041 0.5 91 9 0.6512 0.3242 0.7415 92 10 0.7723 0.5034 0.639 93 11 0.669 0.2613 0.5 94 12 0.9222 0.5 0.75 95 3 0.4571 0.2384 0.5 96 4 0.2881 0.5 0.75 97 5 0.1225 0.63 0.6352 98 6 0.4828 0.7469 0.6114 99 7 0.4077 0.0401 0.5 100 8 0.3879 0.3959 0.5 101 9 0.3488 0.6758 0.7415 102 10 0.2277 0.4966 0.639 103 11 0.331 0.7387 0.5 104 12 0.0778 0.5 0.75 105 5 0.1225 0.37 0.8648 106 6 0.4828 0.2531 0.8886 107 9 0.3488 0.3242 0.7585 108 10 0.2277 0.5034 0.861 109 5 0.8775 0.63 0.8648 110 6 0.5172 0.7469 0.8886 111 9 0.6512 0.6758 0.7585 112 10 0.7723 0.4966 0.861 113 5 0.8775 0.37 0.3648 114 6 0.5172 0.2531 0.3886 115 9 0.6512 0.3242 0.2585 116 10 0.7723 0.5034 0.361 117 5 0.1225 0.63 0.3648 118 6 0.4828 0.7469 0.3886 119 9 0.3488 0.6758 0.2585 120 10 0.2277 0.4966 0.361 X-ray density (g/cm cub.) = 5.4 MU (1/cm) = 834.901 Mass attenuation coefficient (cm**2/g) = 154.487 Selected interatomic distances (cation-anion,anion-anion): NoP Atom Rad.sph. C.N. Distance NoP N. (angs.) (angs.) 1 Pb 3.144 8 2.5462 6 2.8424 9 2.5462 6 2.8424 9 2.5462 6 2.8424 9 2.5462 6 2.8424 9 2 Pb 3.144 8 3.0622 7 2.5412 8 2.5587 10 2.5587 10 3.0622 7 2.5412 8 2.5587 10 2.5587 10 3 As 2.46 4 1.7124 7 1.6568 8 1.6965 6 1.6965 6 4 As 2.46 4 1.6736 9 1.6924 10 1.6736 9 1.6924 10 5 Fe 2.592 6 2.0177 10 1.8735 12 2.0021 6 2.1615 7 2.0246 9 2.0843 11 6 O 3.264 8 2.8922 7 2.7906 9 2.867 11 2.7893 7 2.7652 8 2.7371 6 2.7551 12 3.0107 12 7 O 3.264 11 2.8922 6 2.7169 8 2.6151 11 2.7893 6 3.1224 7 2.8922 6 2.7893 6 2.8354 10 3.0956 12 3.0956 12 2.8354 10 8 O 3.264 6 2.7169 7 3.2501 10 2.7646 11 2.7652 6 3.2501 10 2.7652 6 9 O 3.264 8 2.7906 6 2.7327 10 3.0194 11 2.6733 9 2.8106 10 3.0599 10 2.7446 12 3.1111 10 10 O 3.264 10 3.2501 8 2.7327 9 3.0366 11 2.8364 12 2.8106 9 2.7278 10 2.8354 7 3.0599 9 2.8089 11 3.1111 9 11 O 3.264 11 2.867 6 2.6151 7 2.7646 8 3.0194 9 3.0366 10 2.867 6 3.0194 9 3.0366 10 2.8089 10 2.6932 11 2.8089 10 12 O 3.264 11 2.8364 10 2.5816 12 2.8364 10 2.7551 6 3.0956 7 2.7446 9 3.0107 6 3.0956 7 3.0107 6 2.7551 6 2.7446 9 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 2 0 0 6.19 12.38 0.06 169.06 2 3.9 0.2 2 1 1 0 7.454 14.909 0.073 115.87 4 119.7 278.0 3 0 0 2 8.373 16.746 0.081 91.38 2 49.7 18.9 4 1 1 1 8.556 17.111 0.083 87.43 8 218.2 1395.5 5 2 0 2 10.439 20.878 0.101 58.01 4 151.3 222.6 6 1 1 2 11.246 22.493 0.109 49.69 8 344.3 1974.5 7 3 1 0 11.549 23.098 0.112 47.01 4 284.1 635.7 8 3 1 1 12.3 24.601 0.119 41.19 8 249.4 858.6 9 4 0 0 12.454 24.907 0.121 40.14 2 461.9 717.7 10 0 2 0 13.651 27.302 0.132 33.06 2 22.7 1.4 11 3 1 2 14.333 28.667 0.138 29.81 8 152.3 231.8 12 1 1 3 14.717 29.435 0.142 28.17 8 504.9 2407.3 13 2 2 0 15.039 30.077 0.145 26.9 4 89.7 36.3 14 4 0 2 15.083 30.165 0.145 26.73 4 15.6 1.1 15 2 2 1 15.634 31.268 0.151 24.74 8 227.4 428.8 16 0 2 2 16.1 32.2 0.155 23.23 4 1048.2 4276.8 17 0 0 4 16.932 33.864 0.163 20.82 2 803.7 1127.0 18 5 1 0 17.113 34.226 0.164 20.34 4 659.0 1480.6 19 3 1 3 17.236 34.471 0.166 20.03 8 84.0 47.4 20 2 2 2 17.31 34.62 0.166 19.84 8 7.2 0.3 21 5 1 1 17.646 35.292 0.169 19.03 8 606.7 2347.6 22 2 0 4 18.093 36.185 0.174 18.01 4 20.1 1.2 23 1 1 4 18.592 37.184 0.178 16.97 8 464.4 1226.3 24 4 2 0 18.644 37.289 0.179 16.86 4 46.2 6.0 25 6 0 0 18.873 37.746 0.181 16.42 2 44.3 2.7 26 4 2 1 19.14 38.28 0.183 15.91 8 7.4 0.3 27 5 1 2 19.167 38.333 0.184 15.86 8 524.3 1461.8 28 2 2 3 19.826 39.652 0.19 14.72 8 255.2 321.4 29 4 2 2 20.567 41.133 0.196 13.56 8 852.2 3302.0 30 3 1 4 20.696 41.393 0.198 13.38 8 107.4 51.7 31 6 0 2 20.777 41.555 0.198 13.26 4 561.1 699.6 32 1 3 0 20.983 41.966 0.2 12.97 4 394.8 338.8 33 4 0 4 21.247 42.494 0.203 12.61 4 755.9 1207.7 34 1 3 1 21.433 42.866 0.204 12.37 8 331.2 454.6 35 5 1 3 21.498 42.996 0.205 12.28 8 392.3 633.7 36 0 2 4 22.015 44.031 0.21 11.64 4 20.8 0.8 37 1 1 5 22.735 45.47 0.216 10.83 8 375.1 510.6 38 1 3 2 22.741 45.482 0.216 10.82 8 255.6 237.0 39 4 2 3 22.78 45.559 0.216 10.78 8 46.6 7.9 40 3 3 0 22.905 45.81 0.218 10.65 4 135.7 32.8 41 2 2 4 22.958 45.916 0.218 10.59 8 423.7 637.3 42 7 1 0 23.291 46.582 0.221 10.25 4 121.5 25.4 43 3 3 1 23.326 46.651 0.221 10.22 8 109.0 40.7 44 6 2 0 23.604 47.209 0.224 9.95 4 238.6 94.9 45 7 1 1 23.707 47.413 0.225 9.85 8 79.5 20.8 46 6 2 1 24.015 48.031 0.228 9.57 8 260.3 217.2 47 5 1 4 24.457 48.914 0.231 9.18 8 388.8 465.0 48 3 1 5 24.549 49.097 0.232 9.1 8 2.3 0.0 49 3 3 2 24.554 49.108 0.232 9.09 8 142.9 62.3 50 1 3 3 24.8 49.6 0.234 8.89 8 144.3 62.1 51 7 1 2 24.921 49.842 0.236 8.79 8 99.6 29.2 52 6 2 2 25.219 50.437 0.238 8.56 8 35.0 3.5 53 8 0 0 25.55 51.1 0.241 8.31 2 732.4 373.5 54 4 2 4 25.624 51.248 0.242 8.25 8 13.6 0.5 55 6 0 4 25.802 51.604 0.243 8.12 4 8.6 0.1 56 0 0 6 25.903 51.807 0.244 8.05 2 116.4 9.1 57 5 3 0 26.42 52.841 0.249 7.7 4 290.8 109.1 58 3 3 3 26.507 53.014 0.249 7.64 8 285.2 208.3 59 2 2 5 26.555 53.109 0.25 7.61 8 145.5 54.0 60 2 0 6 26.741 53.483 0.252 7.49 4 250.1 78.5 61 5 3 1 26.8 53.599 0.252 7.45 8 372.5 346.6 62 7 1 3 26.854 53.709 0.253 7.42 8 248.7 153.7 63 8 0 2 27.079 54.158 0.254 7.28 4 62.6 4.8 64 1 1 6 27.111 54.221 0.255 7.26 8 371.7 336.2 65 6 2 3 27.137 54.274 0.255 7.24 8 182.7 81.0 66 1 3 4 27.488 54.977 0.258 7.03 8 91.9 19.9 67 5 1 5 27.911 55.822 0.262 6.79 8 461.1 484.2 68 5 3 2 27.916 55.832 0.262 6.79 8 389.3 345.0 69 0 4 0 28.165 56.33 0.264 6.66 2 791.1 349.0 70 3 1 6 28.721 57.442 0.269 6.37 8 55.7 6.6 71 2 4 0 28.958 57.916 0.271 6.25 4 8.7 0.1 72 4 2 5 28.979 57.958 0.271 6.24 8 19.4 0.8 73 3 3 4 29.085 58.17 0.272 6.19 8 358.7 266.9 74 4 0 6 29.156 58.311 0.272 6.16 4 133.4 18.4 75 2 4 1 29.315 58.63 0.274 6.08 8 6.3 0.1 76 7 1 4 29.412 58.824 0.275 6.04 8 222.6 100.3 77 8 2 0 29.449 58.898 0.275 6.02 4 3.6 0.0 78 0 4 2 29.601 59.203 0.276 5.95 4 34.5 1.2 79 6 2 4 29.678 59.357 0.277 5.91 8 449.4 400.3 80 5 3 3 29.714 59.429 0.277 5.9 8 582.6 671.1 81 0 2 6 29.771 59.541 0.278 5.87 4 807.6 642.0 82 8 2 1 29.802 59.605 0.278 5.86 8 56.1 6.2 83 9 1 0 29.957 59.915 0.279 5.79 4 200.7 39.1 84 9 1 1 30.307 60.614 0.282 5.64 8 246.7 115.1 85 2 4 2 30.371 60.742 0.283 5.62 8 202.1 76.9 86 2 2 6 30.537 61.075 0.284 5.55 8 6.1 0.1 87 1 3 5 30.707 61.413 0.285 5.48 8 187.9 64.9 88 8 2 2 30.848 61.696 0.287 5.43 8 289.0 151.9 89 7 3 0 31.161 62.321 0.289 5.31 4 218.6 42.5 90 4 4 0 31.261 62.522 0.29 5.27 4 1081.8 1033.4 91 9 1 2 31.343 62.685 0.291 5.24 8 345.5 209.6 92 8 0 4 31.36 62.721 0.291 5.23 4 1.9 0.0 93 7 3 1 31.502 63.005 0.292 5.18 8 183.1 58.2 94 4 4 1 31.602 63.205 0.293 5.14 8 22.8 0.9 95 1 1 7 31.73 63.46 0.294 5.1 8 174.1 51.8 96 5 1 6 31.784 63.568 0.294 5.08 8 410.1 286.3 97 2 4 3 32.084 64.168 0.297 4.98 8 44.8 3.3 98 5 3 4 32.127 64.253 0.297 4.96 8 676.2 760.6 99 3 3 5 32.203 64.407 0.298 4.94 8 205.2 69.7 100 7 1 5 32.512 65.023 0.3 4.84 8 161.6 42.3 101 7 3 2 32.516 65.032 0.3 4.84 8 67.4 7.4 102 8 2 3 32.547 65.093 0.301 4.83 8 5.6 0.1 103 4 4 2 32.614 65.229 0.301 4.8 8 57.3 5.3 104 10 0 0 32.624 65.248 0.301 4.8 2 12.2 0.1 105 6 2 5 32.763 65.526 0.303 4.76 8 79.3 10.0 106 4 2 6 32.775 65.549 0.303 4.75 8 648.7 670.5 107 6 0 6 32.928 65.855 0.304 4.71 4 564.9 251.7 108 9 1 3 33.027 66.054 0.305 4.68 8 492.4 380.1 109 3 1 7 33.201 66.402 0.306 4.62 8 223.0 77.1 110 0 4 4 33.685 67.37 0.31 4.49 4 1006.5 761.5 111 10 0 2 33.948 67.896 0.312 4.41 4 681.6 343.5 112 7 3 3 34.17 68.34 0.314 4.35 8 68.1 6.8 113 4 4 3 34.266 68.532 0.315 4.33 8 27.0 1.1 114 1 3 6 34.393 68.786 0.316 4.3 8 165.9 39.6 115 2 4 4 34.403 68.806 0.316 4.29 8 4.7 0.0 116 8 2 4 34.85 69.7 0.319 4.18 8 56.3 4.4 117 2 2 7 34.884 69.767 0.32 4.17 8 258.1 93.2 118 6 4 0 34.905 69.81 0.32 4.17 4 17.8 0.2 119 5 3 5 35.093 70.186 0.321 4.12 8 519.9 373.5 120 6 4 1 35.228 70.456 0.322 4.09 8 65.6 5.9 121 9 1 4 35.315 70.631 0.323 4.07 8 586.3 468.9 122 0 0 8 35.625 71.249 0.326 4.0 2 1320.7 584.7 123 3 3 6 35.809 71.618 0.327 3.96 8 167.9 37.4 124 5 1 7 36.051 72.103 0.329 3.91 8 517.3 350.5 125 10 2 0 36.052 72.104 0.329 3.91 4 800.7 419.9 126 7 1 6 36.102 72.204 0.329 3.9 8 106.0 14.7 127 6 4 2 36.189 72.378 0.33 3.88 8 380.0 187.8 128 2 0 8 36.325 72.651 0.331 3.85 4 3.5 0.0 129 1 5 0 36.333 72.665 0.331 3.85 4 297.4 57.1 130 6 2 6 36.342 72.684 0.331 3.85 8 34.6 1.5 131 10 2 1 36.37 72.741 0.331 3.84 8 180.6 42.0 132 7 3 4 36.425 72.85 0.332 3.83 8 124.7 20.0 133 4 4 4 36.518 73.036 0.333 3.81 8 318.7 129.8 134 1 1 8 36.637 73.274 0.334 3.79 8 136.2 23.6 135 1 5 1 36.65 73.3 0.334 3.79 8 363.6 167.8 136 9 3 0 36.915 73.829 0.336 3.74 4 480.2 144.4 137 4 2 7 36.987 73.974 0.336 3.72 8 14.3 0.3 138 11 1 0 37.205 74.409 0.338 3.68 4 265.4 43.4 139 9 3 1 37.23 74.461 0.338 3.68 8 391.6 189.0 140 2 4 5 37.284 74.568 0.339 3.67 8 51.6 3.3 141 10 2 2 37.32 74.64 0.339 3.66 8 23.8 0.7 142 11 1 1 37.519 75.039 0.34 3.63 8 300.7 109.9 143 1 5 2 37.597 75.194 0.341 3.61 8 368.9 164.7 144 8 2 5 37.717 75.433 0.342 3.59 8 24.0 0.7 145 3 5 0 37.718 75.437 0.342 3.59 4 26.1 0.4 146 6 4 3 37.77 75.539 0.342 3.58 8 26.3 0.8 147 10 0 4 37.789 75.578 0.343 3.58 4 97.6 5.7 148 8 0 6 37.871 75.743 0.343 3.57 4 60.2 2.2 149 3 1 8 38.019 76.038 0.344 3.54 8 196.3 45.8 150 3 5 1 38.032 76.063 0.344 3.54 8 13.5 0.2 151 9 1 5 38.168 76.336 0.345 3.52 8 426.1 214.0 152 9 3 2 38.172 76.344 0.345 3.52 8 473.6 264.4 153 4 0 8 38.397 76.795 0.347 3.48 4 399.0 92.8 154 11 1 2 38.459 76.917 0.348 3.47 8 153.5 27.4 155 1 3 7 38.527 77.054 0.348 3.46 8 326.6 123.7 156 5 3 6 38.577 77.153 0.349 3.45 8 446.7 230.9 157 10 2 3 38.884 77.768 0.351 3.41 8 178.6 36.4 158 0 2 8 38.937 77.875 0.351 3.4 4 10.5 0.1 159 3 5 2 38.967 77.934 0.352 3.39 8 106.2 12.8 160 1 5 3 39.157 78.315 0.353 3.37 8 143.2 23.2 161 7 3 5 39.247 78.495 0.354 3.35 8 28.1 0.9 162 4 4 5 39.338 78.677 0.354 3.34 8 12.9 0.2 163 2 2 8 39.617 79.234 0.356 3.3 8 138.0 21.1 164 9 3 3 39.726 79.451 0.357 3.29 8 305.5 102.9 165 8 4 0 39.746 79.492 0.357 3.29 4 79.5 3.5 166 3 3 7 39.887 79.774 0.358 3.27 8 43.3 2.1 167 6 4 4 39.946 79.892 0.359 3.26 8 74.2 6.0 168 11 1 3 40.009 80.018 0.359 3.25 8 25.2 0.7 169 0 4 6 40.027 80.054 0.36 3.25 4 90.6 4.5 170 8 4 1 40.055 80.109 0.36 3.25 8 71.1 5.5 171 7 1 7 40.17 80.34 0.361 3.23 8 9.6 0.1 172 12 0 0 40.312 80.624 0.362 3.22 2 15.1 0.1 173 6 2 7 40.402 80.804 0.362 3.21 8 276.9 82.4 174 5 5 0 40.442 80.884 0.363 3.2 4 294.8 46.6 175 3 5 3 40.512 81.023 0.363 3.19 8 199.9 42.7 176 2 4 6 40.702 81.403 0.365 3.17 8 258.7 71.1 177 5 1 8 40.737 81.473 0.365 3.17 8 490.2 255.1 178 5 5 1 40.749 81.498 0.365 3.17 8 305.7 99.1 179 8 4 2 40.977 81.954 0.367 3.14 8 11.6 0.1 180 10 2 4 41.044 82.088 0.367 3.13 8 829.6 722.8 181 8 2 6 41.124 82.248 0.368 3.12 8 240.9 60.8 182 1 5 4 41.314 82.628 0.369 3.11 8 92.3 8.9 183 12 0 2 41.539 83.079 0.371 3.08 4 14.6 0.1 184 9 1 6 41.565 83.131 0.371 3.08 8 415.9 178.6 185 4 2 8 41.639 83.278 0.371 3.07 8 29.5 0.9 186 5 5 2 41.668 83.337 0.372 3.07 8 357.4 131.4 187 6 0 8 41.78 83.559 0.372 3.06 4 39.5 0.8 188 9 3 4 41.875 83.75 0.373 3.05 8 272.1 75.7 189 1 1 9 41.913 83.826 0.373 3.05 8 213.4 46.5 190 11 1 4 42.155 84.311 0.375 3.02 8 28.6 0.8 191 8 4 3 42.506 85.012 0.378 2.99 8 43.2 1.9 192 5 3 7 42.576 85.152 0.378 2.99 8 304.6 92.9 193 7 3 6 42.624 85.249 0.379 2.98 8 17.2 0.3 194 3 5 4 42.654 85.307 0.379 2.98 8 110.2 12.1 195 6 4 5 42.703 85.407 0.379 2.98 8 22.0 0.5 196 4 4 6 42.714 85.428 0.379 2.98 8 63.9 4.1 197 1 3 8 43.137 86.273 0.382 2.94 8 324.9 104.1 198 5 5 3 43.193 86.387 0.383 2.94 8 512.6 258.9 199 3 1 9 43.25 86.5 0.383 2.94 8 134.3 17.7 200 12 2 0 43.523 87.047 0.385 2.92 4 1.4 0.0 201 11 3 0 43.682 87.365 0.386 2.9 4 46.0 1.0 202 10 2 5 43.79 87.579 0.387 2.9 8 81.8 6.5 203 12 2 1 43.828 87.655 0.387 2.9 8 43.8 1.9 204 10 0 6 43.94 87.879 0.388 2.89 4 636.1 195.9 205 11 3 1 43.986 87.973 0.388 2.89 8 156.9 23.8 206 1 5 5 44.057 88.115 0.389 2.88 8 206.1 41.0 207 7 5 0 44.458 88.915 0.392 2.86 4 267.0 34.1 208 3 3 8 44.47 88.941 0.392 2.86 8 104.7 10.5 209 9 3 5 44.615 89.23 0.393 2.85 8 338.3 109.3 210 8 4 4 44.635 89.27 0.393 2.85 8 415.2 164.5 211 2 4 7 44.666 89.333 0.393 2.85 8 21.3 0.4 212 12 2 2 44.739 89.478 0.393 2.84 8 156.3 23.3 213 7 1 8 44.749 89.498 0.394 2.84 8 75.8 5.5 214 7 5 1 44.761 89.523 0.394 2.84 8 236.2 53.1 215 2 2 9 44.812 89.624 0.394 2.84 8 26.3 0.7 216 11 1 5 44.894 89.787 0.395 2.83 8 46.1 2.0 217 11 3 2 44.898 89.796 0.395 2.83 8 205.0 39.9 218 6 2 8 44.978 89.955 0.395 2.83 8 280.1 74.4 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 1 1 0 7.454 14.909 6.89452 278.0 6.5 6.6 5.6 2 1 1 1 8.556 17.111 6.01239 1395.5 32.6 33.0 5.6 3 2 0 2 10.439 20.878 4.93651 222.6 5.2 5.3 5.6 4 1 1 2 11.246 22.493 4.58632 1974.5 46.2 46.5 5.6 5 3 1 0 11.549 23.098 4.46764 635.7 14.9 15.0 5.6 6 3 1 1 12.3 24.601 4.19862 858.6 20.1 20.2 5.6 7 4 0 0 12.454 24.907 4.14775 717.7 16.8 16.9 5.6 8 3 1 2 14.333 28.667 3.61304 231.8 5.4 5.4 5.6 9 1 1 3 14.717 29.435 3.5208 2407.3 56.3 56.4 5.6 10 2 2 1 15.634 31.268 3.31906 428.8 10.0 10.0 5.6 11 0 2 2 16.1 32.2 3.22544 4276.8 100.0 100.0 5.6 12 0 0 4 16.932 33.864 3.07125 1127.0 26.4 26.3 5.7 13 5 1 0 17.113 34.226 3.03971 1480.6 34.6 34.6 5.7 14 3 1 3 17.236 34.471 3.01876 47.4 1.1 1.1 5.7 15 5 1 1 17.646 35.292 2.95072 2347.6 54.9 54.7 5.7 16 1 1 4 18.592 37.184 2.80548 1226.3 28.7 28.5 5.7 17 5 1 2 19.167 38.333 2.72437 1461.8 34.2 34.0 5.7 18 2 2 3 19.826 39.652 2.63722 321.4 7.5 7.5 5.7 19 4 2 2 20.567 41.133 2.54618 3302.0 77.2 76.6 5.7 20 3 1 4 20.696 41.393 2.53091 51.7 1.2 1.2 5.7 21 6 0 2 20.777 41.555 2.52146 699.6 16.4 16.2 5.7 22 1 3 0 20.983 41.966 2.49787 338.8 7.9 7.8 5.7 23 4 0 4 21.247 42.494 2.46825 1207.7 28.2 28.0 5.7 24 1 3 1 21.433 42.866 2.44778 454.6 10.6 10.5 5.7 25 5 1 3 21.498 42.996 2.44076 633.7 14.8 14.7 5.7 26 1 1 5 22.735 45.47 2.31443 747.6 17.5 17.3 5.7 27 2 2 4 22.958 45.916 2.29316 637.3 14.9 14.7 5.7 28 6 2 0 23.604 47.209 2.23382 94.9 2.2 2.2 5.7 29 6 2 1 24.015 48.031 2.19778 217.2 5.1 5.0 5.7 30 5 1 4 24.457 48.914 2.16046 465.0 10.9 10.7 5.7 31 3 3 2 24.554 49.108 2.15245 62.3 1.5 1.4 5.7 32 1 3 3 24.8 49.6 2.13246 62.1 1.5 1.4 5.7 33 8 0 0 25.55 51.1 2.07387 373.5 8.7 8.6 5.8 34 5 3 0 26.42 52.841 2.01022 109.1 2.6 2.5 5.8 35 3 3 3 26.507 53.014 2.00413 208.3 4.9 4.8 5.8 36 2 2 5 26.555 53.109 2.0008 54.0 1.3 1.2 5.8 37 2 0 6 26.741 53.483 1.98784 78.5 1.8 1.8 5.8 38 5 3 1 26.8 53.599 1.98384 346.6 8.1 7.9 5.8 39 7 1 3 26.854 53.709 1.9801 153.7 3.6 3.5 5.8 40 1 1 6 27.111 54.221 1.96278 417.2 9.8 9.5 5.8 41 5 1 5 27.911 55.822 1.91083 829.3 19.4 18.9 5.8 42 0 4 0 28.165 56.33 1.895 349.0 8.2 7.9 5.8 43 3 3 4 29.085 58.17 1.84005 266.9 6.2 6.1 5.8 44 7 1 4 29.412 58.824 1.8214 100.3 2.3 2.3 5.8 45 6 2 4 29.678 59.357 1.80652 400.3 9.4 9.1 5.8 46 5 3 3 29.714 59.429 1.80452 671.1 15.7 15.2 5.8 47 0 2 6 29.771 59.541 1.80143 642.0 15.0 14.6 5.8 48 9 1 1 30.307 60.614 1.77249 115.1 2.7 2.6 5.8 49 2 4 2 30.371 60.742 1.76913 76.9 1.8 1.7 5.8 50 1 3 5 30.707 61.413 1.75163 64.9 1.5 1.5 5.8 51 8 2 2 30.848 61.696 1.74441 151.9 3.6 3.4 5.8 52 4 4 0 31.261 62.522 1.72363 1033.4 24.2 23.3 5.8 53 9 1 2 31.343 62.685 1.71961 209.6 4.9 4.7 5.8 54 7 3 1 31.502 63.005 1.71177 58.2 1.4 1.3 5.9 55 1 1 7 31.73 63.46 1.70076 51.8 1.2 1.2 5.9 56 5 1 6 31.784 63.568 1.69818 286.3 6.7 6.5 5.9 57 5 3 4 32.127 64.253 1.68197 760.6 17.8 17.1 5.9 58 3 3 5 32.203 64.407 1.6784 69.7 1.6 1.6 5.9 59 7 1 5 32.512 65.023 1.6642 49.7 1.2 1.1 5.9 60 4 2 6 32.775 65.549 1.65232 680.5 15.9 15.3 5.9 61 6 0 6 32.928 65.855 1.6455 251.7 5.9 5.7 5.9 62 9 1 3 33.027 66.054 1.6411 380.1 8.9 8.5 5.9 63 3 1 7 33.201 66.402 1.63349 77.1 1.8 1.7 5.9 64 0 4 4 33.685 67.37 1.61272 761.5 17.8 17.0 5.9 65 10 0 2 33.948 67.896 1.6017 343.5 8.0 7.7 5.9 66 2 2 7 34.884 69.767 1.56399 93.4 2.2 2.1 5.9 67 5 3 5 35.093 70.186 1.55584 373.5 8.7 8.3 5.9 68 9 1 4 35.315 70.631 1.5473 468.9 11.0 10.4 5.9 69 0 0 8 35.625 71.249 1.53562 584.7 13.7 13.0 5.9 70 10 2 0 36.052 72.104 1.51985 770.4 18.0 17.1 5.9 71 6 4 2 36.189 72.378 1.51487 187.8 4.4 4.2 5.9 72 1 5 0 36.333 72.665 1.50971 58.6 1.4 1.3 6.0 73 4 4 4 36.518 73.036 1.5031 129.8 3.0 2.9 6.0 74 1 5 1 36.65 73.3 1.49844 191.4 4.5 4.2 6.0 75 9 3 0 36.915 73.829 1.48921 144.4 3.4 3.2 6.0 76 9 3 1 37.23 74.461 1.47839 232.5 5.4 5.1 6.0 77 11 1 1 37.519 75.039 1.46866 109.9 2.6 2.4 6.0 78 1 5 2 37.597 75.194 1.46608 164.7 3.9 3.6 6.0 79 3 1 8 38.019 76.038 1.45223 46.0 1.1 1.0 6.0 80 9 3 2 38.172 76.344 1.44729 478.4 11.2 10.5 6.0 81 4 0 8 38.397 76.795 1.4401 92.8 2.2 2.0 6.0 82 1 3 7 38.527 77.054 1.436 123.7 2.9 2.7 6.0 83 5 3 6 38.577 77.153 1.43444 230.9 5.4 5.1 6.0 84 9 3 3 39.726 79.451 1.39954 106.4 2.5 2.3 6.0 85 6 2 7 40.402 80.804 1.38003 82.4 1.9 1.8 6.1 86 5 5 0 40.442 80.884 1.3789 46.6 1.1 1.0 6.1 87 2 4 6 40.702 81.403 1.37162 71.1 1.7 1.5 6.1 88 5 1 8 40.737 81.473 1.37065 354.2 8.3 7.7 6.1 89 10 2 4 41.044 82.088 1.36218 722.8 16.9 15.7 6.1 90 8 2 6 41.124 82.248 1.36 60.8 1.4 1.3 6.1 91 9 1 6 41.565 83.131 1.34815 178.6 4.2 3.9 6.1 92 5 5 2 41.668 83.337 1.34542 131.4 3.1 2.8 6.1 93 9 3 4 41.875 83.75 1.33999 75.7 1.8 1.6 6.1 94 1 1 9 41.913 83.826 1.33901 46.5 1.1 1.0 6.1 95 5 3 7 42.576 85.152 1.32206 92.9 2.2 2.0 6.1 96 1 3 8 43.137 86.273 1.30818 104.1 2.4 2.2 6.1 97 5 5 3 43.193 86.387 1.30681 258.9 6.1 5.6 6.1 98 10 0 6 43.94 87.879 1.28903 195.9 4.6 4.2 6.2 99 7 5 0 44.458 88.915 1.2771 44.6 1.0 1.0 6.2 100 8 4 4 44.635 89.27 1.27309 273.8 6.4 5.8 6.2 101 7 5 1 44.761 89.523 1.27026 81.8 1.9 1.7 6.2 102 6 2 8 44.978 89.955 1.26545 74.4 1.7 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) |