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 *** *********************** METAZEUNERITE 2, syn, f-metazeunerite Cu[UO(2)](2)[AsO(4)](2).8H(2)O Tetragonal * P4/n Z = 2 R =0.023 NR =1447 26 .5 .1904 Ref.Str.: A.I. Locock, P.C. Burus (2003) * Canad. Mineral., 41, 513-520 Reserv: See U(ij) in the original. N.A.D. Initial data from BDM-file Lattice parameters (cub. angs.,degr.): a = 7.1094 alpha = 90.0 b = 7.1094 beta = 90.0 c = 17.416 gamma = 90.0 Unit cell volume (cub. angs.) = 880.27 Molar volume ( cub.cm/mol.) = 265.11 Co-ordinates, thermal parameters, occupation for atomic positions: NoP x/a y/b z/c B(j) atom / occupation 1 0.25 0.25 0.0561 0.0 U = 1.00 2 0.25 0.25 0.5545 0.0 U = 1.00 3 0.25 0.25 0.3111 0.0 Cu = 1.00 4 0.25 0.75 0.0 0.0 As = 1.00 5 0.25 0.75 0.5 0.0 As = 1.00 6 0.25 0.25 0.4515 0.0 O = 1.00 7 0.25 0.25 0.9548 0.0 O = 1.00 8 0.25 0.25 0.6562 0.0 O = 1.00 9 0.25 0.25 0.1592 0.0 O = 1.00 10 0.2938 0.9329 0.058 0.0 O = 1.00 11 0.1949 0.9327 0.5572 0.0 O = 1.00 12 0.5223 0.2856 0.3096 0.0 H(2)O = 1.00 13 0.3534 0.5075 0.806 0.0 H(2)O = 1.00 14 0.378 0.57 0.853 0.0 H = 1.00 15 0.577 0.349 0.351 0.0 H = 1.00 16 0.575 0.348 0.266 0.0 H = 1.00 17 0.218 0.507 0.801 0.0 H = 1.00 Co-ordinates for all atomic positions : No NoP x/a y/b z/c 1 1 0.25 0.25 0.0561 2 2 0.25 0.25 0.5545 3 3 0.25 0.25 0.3111 4 4 0.25 0.75 0.0 5 5 0.25 0.75 0.5 6 6 0.25 0.25 0.4515 7 7 0.25 0.25 0.9548 8 8 0.25 0.25 0.6562 9 9 0.25 0.25 0.1592 10 10 0.2938 0.9329 0.058 11 11 0.1949 0.9327 0.5572 12 12 0.5223 0.2856 0.3096 13 13 0.3534 0.5075 0.806 14 14 0.378 0.57 0.853 15 15 0.577 0.349 0.351 16 16 0.575 0.348 0.266 17 17 0.218 0.507 0.801 18 1 0.75 0.75 0.9439 19 2 0.75 0.75 0.4455 20 3 0.75 0.75 0.6889 21 4 0.75 0.25 0.0 22 5 0.75 0.25 0.5 23 6 0.75 0.75 0.5485 24 7 0.75 0.75 0.0452 25 8 0.75 0.75 0.3438 26 9 0.75 0.75 0.8408 27 10 0.7062 0.0671 0.942 28 11 0.8051 0.0673 0.4428 29 12 0.4777 0.7144 0.6904 30 13 0.6466 0.4925 0.194 31 14 0.622 0.43 0.147 32 15 0.423 0.651 0.649 33 16 0.425 0.652 0.734 34 17 0.782 0.493 0.199 35 10 0.5671 0.2938 0.058 36 10 0.2062 0.5671 0.058 37 10 0.9329 0.2062 0.058 38 11 0.5673 0.1949 0.5572 39 11 0.3051 0.5673 0.5572 40 11 0.9327 0.3051 0.5572 41 12 0.2144 0.5223 0.3096 42 12 0.9777 0.2144 0.3096 43 12 0.2856 0.9777 0.3096 44 13 0.9925 0.3534 0.806 45 13 0.1466 0.9925 0.806 46 13 0.5075 0.1466 0.806 47 14 0.93 0.378 0.853 48 14 0.122 0.93 0.853 49 14 0.57 0.122 0.853 50 15 0.151 0.577 0.351 51 15 0.923 0.151 0.351 52 15 0.349 0.923 0.351 53 16 0.152 0.575 0.266 54 16 0.925 0.152 0.266 55 16 0.348 0.925 0.266 56 17 0.993 0.218 0.801 57 17 0.282 0.993 0.801 58 17 0.507 0.282 0.801 59 10 0.4329 0.7062 0.942 60 10 0.7938 0.4329 0.942 61 10 0.0671 0.7938 0.942 62 11 0.4327 0.8051 0.4428 63 11 0.6949 0.4327 0.4428 64 11 0.0673 0.6949 0.4428 65 12 0.7856 0.4777 0.6904 66 12 0.0223 0.7856 0.6904 67 12 0.7144 0.0223 0.6904 68 13 0.0075 0.6466 0.194 69 13 0.8534 0.0075 0.194 70 13 0.4925 0.8534 0.194 71 14 0.07 0.622 0.147 72 14 0.878 0.07 0.147 73 14 0.43 0.878 0.147 74 15 0.849 0.423 0.649 75 15 0.077 0.849 0.649 76 15 0.651 0.077 0.649 77 16 0.848 0.425 0.734 78 16 0.075 0.848 0.734 79 16 0.652 0.075 0.734 80 17 0.007 0.782 0.199 81 17 0.718 0.007 0.199 82 17 0.493 0.718 0.199 X-ray density (g/cm cub.) = 3.93 MU (1/cm) = 706.43 Mass attenuation coefficient (cm**2/g) = 179.808 Selected interatomic distances (cation-anion,anion-anion): NoP Atom Rad.sph. C.N. Distance NoP N. (angs.) (angs.) 1 U 3.048 6 1.7642 7 1.7956 9 2.276 10 2.276 10 2.276 10 2.276 10 2 U 3.048 6 1.7938 6 1.7712 8 2.2901 11 2.2901 11 2.2901 11 2.2901 11 3 Cu 2.976 6 2.4452 6 2.6455 9 1.9525 12 1.9525 12 1.9525 12 1.9525 12 4 As 2.628 4 1.6757 10 1.6757 10 1.6757 10 1.6757 10 5 As 2.628 4 1.6831 11 1.6831 11 1.6831 11 1.6831 11 6 O 3.432 12 2.9378 11 3.1495 12 3.4226 11 2.9378 11 2.9378 11 2.9378 11 3.1495 12 3.1495 12 3.1495 12 3.4226 11 3.4226 11 3.4226 11 7 O 3.432 8 2.8999 10 3.2569 13 2.8999 10 2.8999 10 2.8999 10 3.2569 13 3.2569 13 3.2569 13 8 O 3.432 8 2.8662 11 3.2708 13 2.8662 11 2.8662 11 2.8662 11 3.2708 13 3.2708 13 3.2708 13 9 O 3.432 12 2.8785 10 3.2669 12 3.36 13 2.8785 10 2.8785 10 2.8785 10 3.2669 12 3.2669 12 3.2669 12 3.36 13 3.36 13 3.36 13 10 O 3.432 8 2.8999 7 2.8785 9 3.2185 10 2.6741 10 3.2185 10 2.7671 10 2.7671 10 2.8152 13 11 O 3.432 9 2.9378 6 2.8662 8 3.4226 6 3.2379 11 2.7133 11 3.2379 11 2.766 11 2.766 11 2.8251 12 12 H(2)O 3.6 8 3.1495 6 3.2669 9 3.4398 11 2.6454 13 2.7611 12 3.277 12 2.7611 12 2.8251 11 13 H(2)O 3.6 7 3.2569 7 3.2708 8 3.36 9 2.6454 12 2.7899 13 2.7899 13 2.8152 10 14 H 1.8 1 0.9477 13 15 H 1.8 1 0.935 12 16 H 1.8 2 0.9559 12 1.6991 13 17 H 1.8 1 0.9665 13 X-ray diffraction powder data (II), X-Ray W.L. = 1.54056(angs.): No H K L Theta 2*Theta S LPG MF F I int. ( degree ) *100 1 0 0 1 2.535 5.07 0.029 1019.43 2 20.5 111.1 2 0 0 2 5.075 10.15 0.057 252.63 2 341.4 7599.8 3 1 0 1 6.721 13.441 0.076 143.07 8 51.4 390.1 4 0 0 3 7.625 15.25 0.086 110.65 2 41.1 48.3 5 1 0 2 8.04 16.081 0.091 99.29 8 169.8 2955.2 6 1 1 0 8.814 17.628 0.099 82.25 4 252.1 2698.6 7 1 1 1 9.177 18.354 0.104 75.71 8 17.6 24.2 8 1 0 3 9.864 19.727 0.111 65.24 8 16.9 19.2 9 0 0 4 10.19 20.38 0.115 60.99 2 190.2 569.5 10 1 1 2 10.191 20.381 0.115 60.98 8 82.7 430.4 11 1 1 3 11.694 23.389 0.132 45.8 8 36.2 61.9 12 1 0 4 11.973 23.946 0.135 43.59 8 386.3 6717.0 13 2 0 0 12.515 25.03 0.141 39.72 4 505.4 5237.1 14 0 0 5 12.776 25.552 0.144 38.03 2 48.5 23.1 15 2 0 1 12.777 25.554 0.144 38.03 8 23.9 22.5 16 1 1 4 13.535 27.07 0.152 33.67 8 64.7 145.7 17 2 0 2 13.536 27.072 0.152 33.66 8 341.6 4056.6 18 1 0 5 14.256 28.512 0.16 30.15 8 18.9 11.2 19 1 2 1 14.257 28.514 0.16 30.15 8 17.3 9.4 20 2 1 1 14.257 28.514 0.16 30.15 8 98.9 304.7 21 2 0 3 14.72 29.439 0.165 28.16 8 57.1 94.9 22 1 2 2 14.946 29.893 0.167 27.25 8 166.0 774.9 23 2 1 2 14.946 29.893 0.167 27.25 8 175.4 866.0 24 0 0 6 15.389 30.778 0.172 25.6 2 15.7 1.6 25 1 1 5 15.607 31.214 0.175 24.84 8 44.0 49.7 26 1 2 3 16.035 32.07 0.179 23.43 8 32.0 24.8 27 2 1 3 16.035 32.07 0.179 23.43 8 2.1 0.1 28 2 0 4 16.245 32.489 0.182 22.78 8 150.5 532.6 29 1 0 6 16.657 33.313 0.186 21.58 8 177.1 698.6 30 1 2 4 17.457 34.914 0.195 19.48 8 215.5 933.7 31 2 1 4 17.457 34.914 0.195 19.48 8 188.7 716.2 32 1 1 6 17.844 35.688 0.199 18.57 8 179.9 620.4 33 2 2 0 17.845 35.691 0.199 18.57 4 374.5 1344.4 34 0 0 7 18.035 36.07 0.201 18.14 2 7.1 0.2 35 2 0 5 18.036 36.072 0.201 18.14 8 63.9 76.4 36 2 2 1 18.037 36.073 0.201 18.14 8 10.9 2.2 37 2 2 2 18.6 37.2 0.207 16.95 8 300.5 1580.3 38 1 0 7 19.148 38.296 0.213 15.9 8 35.5 20.7 39 1 2 5 19.149 38.298 0.213 15.9 8 36.1 21.4 40 2 1 5 19.149 38.298 0.213 15.9 8 6.7 0.7 41 3 0 1 19.15 38.299 0.213 15.9 8 75.1 92.6 42 2 2 3 19.508 39.016 0.217 15.26 8 16.3 4.2 43 3 0 2 19.686 39.372 0.219 14.95 8 182.1 512.0 44 2 0 6 20.036 40.071 0.222 14.38 8 6.7 0.7 45 1 3 0 20.037 40.073 0.222 14.38 4 327.1 794.1 46 3 1 0 20.037 40.073 0.222 14.38 4 298.9 662.9 47 1 1 7 20.209 40.417 0.224 14.11 8 12.3 2.2 48 1 3 1 20.21 40.42 0.224 14.1 8 33.1 16.0 49 3 1 1 20.21 40.42 0.224 14.1 8 6.8 0.7 50 3 0 3 20.553 41.107 0.228 13.58 8 26.2 9.6 51 0 0 8 20.722 41.443 0.23 13.34 2 381.6 501.4 52 2 2 4 20.723 41.446 0.23 13.34 8 130.6 234.9 53 1 3 2 20.723 41.447 0.23 13.34 8 97.4 130.7 54 3 1 2 20.723 41.447 0.23 13.34 8 110.2 167.3 55 1 2 6 21.059 42.118 0.233 12.87 8 174.7 405.2 56 2 1 6 21.059 42.118 0.233 12.87 8 184.1 450.0 57 1 3 3 21.556 43.113 0.238 12.21 8 18.9 4.5 58 3 1 3 21.556 43.113 0.238 12.21 8 99.9 125.7 59 1 0 8 21.718 43.437 0.24 12.01 8 118.5 174.2 60 3 0 4 21.72 43.439 0.24 12.0 8 364.4 1645.3 61 2 0 7 22.204 44.407 0.245 11.42 8 19.9 4.7 62 2 2 5 22.204 44.409 0.245 11.42 8 26.3 8.2 63 1 1 8 22.68 45.359 0.25 10.89 8 370.7 1545.0 64 1 3 4 22.681 45.362 0.25 10.89 8 43.9 21.7 65 3 1 4 22.681 45.362 0.25 10.89 8 49.1 27.0 66 1 2 7 23.149 46.298 0.255 10.4 8 9.9 1.1 67 2 1 7 23.149 46.298 0.255 10.4 8 67.7 49.2 68 3 0 5 23.15 46.299 0.255 10.4 8 20.2 4.4 69 2 3 1 23.15 46.301 0.255 10.39 8 19.2 4.0 70 3 2 1 23.15 46.301 0.255 10.39 8 41.0 18.0 71 0 0 9 23.457 46.913 0.258 10.09 2 19.8 1.0 72 2 3 2 23.612 47.224 0.26 9.94 8 146.6 220.5 73 3 2 2 23.612 47.224 0.26 9.94 8 164.5 277.7 74 2 2 6 23.915 47.83 0.263 9.66 8 1.0 0.0 75 1 3 5 24.066 48.132 0.265 9.52 8 0.5 0.0 76 3 1 5 24.066 48.132 0.265 9.52 8 98.1 94.5 77 1 0 9 24.364 48.729 0.268 9.26 8 56.0 29.9 78 2 3 3 24.366 48.733 0.268 9.26 8 11.6 1.3 79 3 2 3 24.366 48.733 0.268 9.26 8 33.6 10.8 80 2 0 8 24.514 49.027 0.269 9.13 8 205.0 396.1 81 3 0 6 24.81 49.62 0.272 8.88 8 204.3 382.8 82 1 1 9 25.247 50.495 0.277 8.54 8 12.9 1.5 83 1 2 8 25.393 50.786 0.278 8.43 8 88.4 68.0 84 2 1 8 25.393 50.786 0.278 8.43 8 80.7 56.6 85 2 3 4 25.394 50.788 0.278 8.42 8 293.8 750.6 86 3 2 4 25.394 50.788 0.278 8.42 8 273.0 648.4 87 1 3 6 25.682 51.363 0.281 8.21 8 178.5 270.2 88 3 1 6 25.682 51.363 0.281 8.21 8 187.3 297.4 89 4 0 0 25.683 51.365 0.281 8.21 4 459.4 894.7 90 2 2 7 25.825 51.649 0.283 8.11 8 8.3 0.6 91 4 0 1 25.826 51.652 0.283 8.11 8 19.9 3.3 92 0 0 10 26.25 52.499 0.287 7.81 2 159.0 51.0 93 4 0 2 26.252 52.504 0.287 7.81 8 248.8 499.2 94 3 0 7 26.672 53.345 0.291 7.53 8 51.6 20.7 95 2 3 5 26.673 53.346 0.291 7.53 8 5.2 0.2 96 3 2 5 26.673 53.346 0.291 7.53 8 29.5 6.8 97 1 4 1 26.674 53.347 0.291 7.53 8 15.6 1.9 98 4 1 1 26.674 53.347 0.291 7.53 8 58.9 27.0 99 2 0 9 26.95 53.9 0.294 7.36 8 12.1 1.1 100 4 0 3 26.952 53.904 0.294 7.36 8 55.9 23.7 101 1 0 10 27.088 54.176 0.296 7.27 8 63.4 30.2 102 1 4 2 27.091 54.181 0.296 7.27 8 120.7 109.4 103 4 1 2 27.091 54.181 0.296 7.27 8 111.2 92.8 104 3 3 0 27.366 54.732 0.298 7.11 4 285.4 298.8 105 1 3 7 27.502 55.004 0.3 7.03 8 17.0 2.1 106 3 1 7 27.502 55.004 0.3 7.03 8 13.4 1.3 107 3 3 1 27.503 55.007 0.3 7.03 8 16.2 1.9 108 1 2 9 27.774 55.548 0.302 6.87 8 28.4 5.7 109 2 1 9 27.774 55.548 0.302 6.87 8 73.7 38.6 110 1 4 3 27.776 55.552 0.302 6.87 8 23.2 3.8 111 4 1 3 27.776 55.552 0.302 6.87 8 6.7 0.3 112 1 1 10 27.909 55.819 0.304 6.8 8 303.1 644.3 113 2 2 8 27.91 55.82 0.304 6.79 8 131.4 121.2 114 4 0 4 27.911 55.823 0.304 6.79 8 133.2 124.5 115 3 3 2 27.912 55.823 0.304 6.79 8 106.8 80.1 116 2 3 6 28.181 56.362 0.307 6.65 8 167.4 192.3 117 3 2 6 28.181 56.362 0.307 6.65 8 187.3 240.7 118 3 3 3 28.584 57.167 0.311 6.44 8 48.2 15.5 119 3 0 8 28.716 57.431 0.312 6.37 8 109.6 79.1 120 1 4 4 28.717 57.434 0.312 6.37 8 273.7 492.6 121 4 1 4 28.717 57.434 0.312 6.37 8 284.0 530.4 122 2 4 0 28.982 57.965 0.315 6.24 4 422.1 573.9 123 4 2 0 28.982 57.965 0.315 6.24 4 416.2 558.0 124 0 0 11 29.112 58.223 0.316 6.18 2 27.2 1.2 125 4 0 5 29.114 58.228 0.316 6.18 8 61.7 24.3 126 2 4 1 29.114 58.229 0.316 6.18 8 18.8 2.3 127 4 2 1 29.114 58.229 0.316 6.18 8 45.2 13.0 128 2 0 10 29.506 59.012 0.32 5.99 8 160.6 159.6 129 1 3 8 29.507 59.014 0.32 5.99 8 405.1 1015.1 130 3 1 8 29.507 59.014 0.32 5.99 8 381.5 900.2 131 3 3 4 29.508 59.016 0.32 5.99 8 37.0 8.5 132 2 4 2 29.508 59.017 0.32 5.99 8 222.0 305.0 133 4 2 2 29.508 59.017 0.32 5.99 8 235.2 342.2 134 1 0 11 29.896 59.792 0.324 5.82 8 3.4 0.1 135 2 3 7 29.898 59.796 0.324 5.82 8 13.9 1.2 136 3 2 7 29.898 59.796 0.324 5.82 8 25.8 4.0 137 1 4 5 29.898 59.797 0.324 5.82 8 30.1 5.4 138 4 1 5 29.898 59.797 0.324 5.82 8 3.6 0.1 139 2 2 9 30.156 60.312 0.326 5.71 8 7.8 0.4 140 2 4 3 30.158 60.315 0.326 5.71 8 50.1 14.8 141 4 2 3 30.158 60.315 0.326 5.71 8 10.3 0.6 142 1 2 10 30.284 60.569 0.327 5.65 8 61.6 22.2 143 2 1 10 30.284 60.569 0.327 5.65 8 65.4 25.0 144 4 0 6 30.543 61.085 0.33 5.55 8 12.6 0.9 145 1 1 11 30.668 61.337 0.331 5.5 8 24.2 3.3 146 3 3 5 30.671 61.341 0.331 5.5 8 54.0 16.6 147 3 0 9 30.924 61.849 0.334 5.4 8 71.6 28.5 148 2 4 4 31.053 62.106 0.335 5.35 8 124.9 86.2 149 4 2 4 31.053 62.106 0.335 5.35 8 124.4 85.4 150 1 4 6 31.305 62.611 0.337 5.25 8 139.1 104.9 151 4 1 6 31.305 62.611 0.337 5.25 8 133.3 96.3 152 1 3 9 31.682 63.364 0.341 5.12 8 33.3 5.9 153 3 1 9 31.682 63.364 0.341 5.12 8 7.0 0.3 154 2 3 8 31.808 63.615 0.342 5.07 8 97.9 50.2 155 3 2 8 31.808 63.615 0.342 5.07 8 92.0 44.3 156 0 0 12 32.055 64.111 0.345 4.99 2 89.2 10.2 157 3 3 6 32.058 64.116 0.345 4.99 8 176.7 160.7 158 2 0 11 32.18 64.361 0.346 4.95 8 32.0 5.2 159 4 0 7 32.182 64.364 0.346 4.94 8 16.2 1.3 160 2 4 5 32.183 64.365 0.346 4.94 8 45.8 10.7 161 4 2 5 32.183 64.365 0.346 4.94 8 9.0 0.4 162 2 2 10 32.553 65.106 0.349 4.82 8 141.9 100.3 163 1 0 12 32.798 65.597 0.352 4.75 8 280.4 385.2 164 1 2 11 32.922 65.844 0.353 4.71 8 13.1 0.8 165 2 1 11 32.922 65.844 0.353 4.71 8 4.8 0.1 166 1 4 7 32.924 65.847 0.353 4.71 8 7.0 0.2 167 4 1 7 32.924 65.847 0.353 4.71 8 48.3 11.3 168 3 4 1 32.925 65.849 0.353 4.71 8 90.6 39.9 169 4 3 1 32.925 65.849 0.353 4.71 8 21.0 2.1 170 5 0 1 32.925 65.849 0.353 4.71 8 50.6 12.5 171 3 0 10 33.29 66.58 0.356 4.6 8 73.6 25.7 172 3 4 2 33.292 66.584 0.356 4.6 8 124.5 73.6 173 4 3 2 33.292 66.584 0.356 4.6 8 136.3 88.2 174 5 0 2 33.292 66.584 0.356 4.6 8 130.0 80.2 175 1 1 12 33.533 67.066 0.359 4.53 8 198.8 184.8 176 2 4 6 33.535 67.071 0.359 4.53 8 17.4 1.4 177 4 2 6 33.535 67.071 0.359 4.53 8 12.3 0.7 178 1 5 0 33.536 67.072 0.359 4.53 4 166.9 65.1 179 5 1 0 33.536 67.072 0.359 4.53 4 208.3 101.4 180 3 3 7 33.657 67.313 0.36 4.49 8 11.9 0.7 181 1 5 1 33.658 67.315 0.36 4.49 8 41.3 7.9 182 5 1 1 33.658 67.315 0.36 4.49 8 12.4 0.7 183 2 3 9 33.898 67.797 0.362 4.43 8 25.1 2.9 184 3 2 9 33.898 67.797 0.362 4.43 8 53.6 13.1 185 3 4 3 33.9 67.8 0.362 4.43 8 3.5 0.1 186 4 3 3 33.9 67.8 0.362 4.43 8 33.9 5.2 187 5 0 3 33.9 67.8 0.362 4.43 8 15.3 1.1 188 1 3 10 34.019 68.038 0.363 4.39 8 301.5 412.4 189 3 1 10 34.019 68.038 0.363 4.39 8 317.9 458.4 190 4 0 8 34.02 68.04 0.363 4.39 8 218.6 216.7 191 1 5 2 34.021 68.042 0.363 4.39 8 87.0 34.3 192 5 1 2 34.021 68.042 0.363 4.39 8 54.9 13.7 193 1 5 3 34.623 69.246 0.369 4.24 8 11.3 0.6 194 5 1 3 34.623 69.246 0.369 4.24 8 38.5 6.5 195 1 4 8 34.741 69.483 0.37 4.21 8 93.5 38.0 196 4 1 8 34.741 69.483 0.37 4.21 8 91.4 36.3 197 3 4 4 34.742 69.485 0.37 4.21 8 260.9 295.7 198 4 3 4 34.742 69.485 0.37 4.21 8 252.6 277.3 199 5 0 4 34.742 69.485 0.37 4.21 8 201.9 177.1 200 2 0 12 34.979 69.957 0.372 4.15 8 44.2 8.4 201 0 0 13 35.097 70.195 0.373 4.12 2 48.1 2.5 202 2 2 11 35.098 70.197 0.373 4.12 8 10.7 0.5 203 2 4 7 35.1 70.2 0.373 4.12 8 18.2 1.4 204 4 2 7 35.1 70.2 0.373 4.12 8 30.0 3.8 205 3 3 8 35.456 70.913 0.377 4.04 8 378.2 596.3 206 1 5 4 35.457 70.915 0.377 4.04 8 44.0 8.1 207 5 1 4 35.457 70.915 0.377 4.04 8 40.4 6.8 208 1 2 12 35.691 71.383 0.379 3.99 8 200.0 164.5 209 2 1 12 35.691 71.383 0.379 3.99 8 184.3 139.8 210 1 0 13 35.809 71.618 0.38 3.96 8 10.8 0.5 211 3 0 11 35.81 71.62 0.38 3.96 8 13.4 0.7 212 3 4 5 35.812 71.625 0.38 3.96 8 4.9 0.1 213 4 3 5 35.812 71.625 0.38 3.96 8 36.7 5.5 214 5 0 5 35.812 71.625 0.38 3.96 8 12.4 0.6 215 2 5 1 35.813 71.626 0.38 3.96 8 32.4 4.3 216 5 2 1 35.813 71.626 0.38 3.96 8 8.0 0.3 217 4 0 9 36.047 72.094 0.382 3.91 8 13.2 0.7 218 2 3 10 36.164 72.329 0.383 3.88 8 62.8 15.8 219 3 2 10 36.164 72.329 0.383 3.88 8 67.2 18.1 220 2 5 2 36.166 72.333 0.383 3.88 8 116.6 54.5 221 5 2 2 36.166 72.333 0.383 3.88 8 111.3 49.7 222 1 1 13 36.515 73.03 0.386 3.81 8 46.6 8.5 223 1 3 11 36.516 73.032 0.386 3.81 8 9.3 0.3 224 3 1 11 36.516 73.032 0.386 3.81 8 58.1 13.3 225 1 5 5 36.518 73.036 0.386 3.81 8 26.1 2.7 226 5 1 5 36.518 73.036 0.386 3.81 8 38.3 5.8 227 1 4 9 36.751 73.502 0.388 3.77 8 30.7 3.7 228 4 1 9 36.751 73.502 0.388 3.77 8 60.2 14.1 229 2 5 3 36.753 73.505 0.388 3.77 8 5.4 0.1 230 5 2 3 36.753 73.505 0.388 3.77 8 7.4 0.2 231 2 4 8 36.868 73.737 0.389 3.74 8 190.5 140.4 232 4 2 8 36.868 73.737 0.389 3.74 8 190.6 140.4 233 3 4 6 37.102 74.204 0.392 3.7 8 147.9 83.6 234 4 3 6 37.102 74.204 0.392 3.7 8 158.9 96.5 235 5 0 6 37.102 74.204 0.392 3.7 8 150.3 86.3 236 3 3 9 37.45 74.9 0.395 3.64 8 9.8 0.4 237 2 5 4 37.568 75.135 0.396 3.62 8 216.6 175.2 238 5 2 4 37.568 75.135 0.396 3.62 8 222.9 185.5 239 2 2 12 37.797 75.593 0.398 3.58 8 28.4 3.0 240 1 5 6 37.799 75.598 0.398 3.58 8 157.2 91.3 241 5 1 6 37.799 75.598 0.398 3.58 8 136.8 69.1 242 4 4 0 37.8 75.599 0.398 3.58 4 354.2 231.7 243 2 0 13 37.912 75.823 0.399 3.56 8 56.3 11.6 244 4 4 1 37.915 75.831 0.399 3.56 8 26.5 2.6 245 0 0 14 38.257 76.515 0.402 3.5 2 84.7 6.5 246 4 0 10 38.259 76.519 0.402 3.5 8 116.2 48.8 247 4 4 2 38.262 76.523 0.402 3.5 8 229.3 190.1 248 3 0 12 38.489 76.978 0.404 3.47 8 276.0 272.6 249 1 2 13 38.603 77.207 0.405 3.45 8 23.6 2.0 250 2 1 13 38.603 77.207 0.405 3.45 8 15.5 0.9 251 2 3 11 38.604 77.209 0.405 3.45 8 17.2 1.1 252 3 2 11 38.604 77.209 0.405 3.45 8 17.5 1.1 253 3 4 7 38.606 77.212 0.405 3.45 8 74.1 19.5 254 4 3 7 38.606 77.212 0.405 3.45 8 11.0 0.4 255 5 0 7 38.606 77.212 0.405 3.45 8 39.6 5.6 256 2 5 5 38.606 77.213 0.405 3.45 8 3.7 0.0 257 5 2 5 38.606 77.213 0.405 3.45 8 17.8 1.1 258 2 4 9 38.835 77.67 0.407 3.41 8 16.0 0.9 259 4 2 9 38.835 77.67 0.407 3.41 8 42.2 6.3 260 4 4 3 38.836 77.673 0.407 3.41 8 58.5 12.1 261 1 0 14 38.947 77.894 0.408 3.4 8 164.2 94.6 262 1 4 10 38.949 77.898 0.408 3.4 8 48.4 8.2 263 4 1 10 38.949 77.898 0.408 3.4 8 43.7 6.7 264 1 3 12 39.177 78.355 0.41 3.36 8 208.1 150.3 265 3 1 12 39.177 78.355 0.41 3.36 8 193.1 129.5 266 3 5 0 39.18 78.361 0.41 3.36 4 197.7 67.9 267 5 3 0 39.18 78.361 0.41 3.36 4 183.4 58.4 268 1 5 7 39.294 78.588 0.411 3.35 8 31.4 3.4 269 5 1 7 39.294 78.588 0.411 3.35 8 12.0 0.5 270 3 5 1 39.295 78.59 0.411 3.35 8 20.8 1.5 271 5 3 1 39.295 78.59 0.411 3.35 8 0.3 0.0 272 1 1 14 39.633 79.267 0.414 3.3 8 70.7 17.0 273 3 3 10 39.635 79.271 0.414 3.3 8 293.2 293.0 274 4 4 4 39.637 79.274 0.414 3.3 8 108.4 40.0 275 3 5 2 39.637 79.275 0.414 3.3 8 67.4 15.5 276 5 3 2 39.637 79.275 0.414 3.3 8 74.7 19.0 277 2 5 6 39.865 79.73 0.416 3.27 8 141.6 67.7 278 5 2 6 39.865 79.73 0.416 3.27 8 132.3 59.1 279 3 5 3 40.207 80.413 0.419 3.23 8 46.1 7.1 280 5 3 3 40.207 80.413 0.419 3.23 8 8.8 0.3 281 3 4 8 40.319 80.638 0.42 3.22 8 84.3 23.6 282 4 3 8 40.319 80.638 0.42 3.22 8 86.6 24.9 283 5 0 8 40.319 80.638 0.42 3.22 8 74.9 18.6 284 6 0 0 40.548 81.095 0.422 3.19 4 338.1 188.2 285 2 2 13 40.658 81.315 0.423 3.18 8 33.6 3.7 286 4 0 11 40.659 81.317 0.423 3.18 8 37.7 4.7 287 4 4 5 40.661 81.321 0.423 3.18 8 67.2 14.8 288 6 0 1 40.661 81.322 0.423 3.18 8 14.0 0.6 289 2 0 14 40.997 81.994 0.426 3.14 8 82.8 22.2 290 2 4 10 40.999 81.998 0.426 3.14 8 105.8 36.3 291 4 2 10 40.999 81.998 0.426 3.14 8 112.3 40.9 292 1 5 8 41.0 81.999 0.426 3.14 8 276.9 248.5 293 5 1 8 41.0 81.999 0.426 3.14 8 307.4 306.2 294 3 5 4 41.001 82.001 0.426 3.14 8 37.1 4.5 295 5 3 4 41.001 82.001 0.426 3.14 8 36.4 4.3 296 6 0 2 41.001 82.002 0.426 3.14 8 246.7 197.1 297 2 3 12 41.224 82.449 0.428 3.11 8 235.1 177.7 298 3 2 12 41.224 82.449 0.428 3.11 8 225.4 163.3 299 3 0 13 41.337 82.674 0.429 3.1 8 7.1 0.2 300 1 4 11 41.338 82.676 0.429 3.1 8 5.8 0.1 301 4 1 11 41.338 82.676 0.429 3.1 8 2.2 0.0 302 2 5 7 41.339 82.679 0.429 3.1 8 25.6 2.1 303 5 2 7 41.339 82.679 0.429 3.1 8 13.2 0.6 304 1 6 1 41.34 82.681 0.429 3.1 8 21.8 1.5 305 6 1 1 41.34 82.681 0.429 3.1 8 48.7 7.6 306 0 0 15 41.562 83.123 0.431 3.08 2 3.1 0.0 307 6 0 3 41.566 83.132 0.431 3.08 8 43.2 5.9 308 1 2 14 41.675 83.35 0.432 3.07 8 159.7 80.8 309 2 1 14 41.675 83.35 0.432 3.07 8 170.1 91.7 310 1 6 2 41.679 83.358 0.432 3.07 8 153.8 74.9 311 6 1 2 41.679 83.358 0.432 3.07 8 129.4 53.1 312 4 4 6 41.904 83.808 0.434 3.05 8 4.3 0.1 313 1 3 13 42.014 84.028 0.434 3.04 8 23.6 1.7 314 3 1 13 42.014 84.028 0.434 3.04 8 71.3 15.9 315 3 3 11 42.015 84.03 0.434 3.04 8 30.5 2.9 316 3 5 5 42.017 84.034 0.434 3.04 8 55.1 9.5 317 5 3 5 42.017 84.034 0.434 3.04 8 13.2 0.5 318 1 0 15 42.238 84.476 0.436 3.02 8 26.3 2.2 319 3 4 9 42.241 84.482 0.436 3.02 8 79.6 19.8 320 4 3 9 42.241 84.482 0.436 3.02 8 39.8 4.9 321 5 0 9 42.241 84.482 0.436 3.02 8 56.3 9.9 322 1 6 3 42.243 84.485 0.436 3.02 8 33.5 3.5 323 6 1 3 42.243 84.485 0.436 3.02 8 2.4 0.0 324 6 0 4 42.355 84.71 0.437 3.01 8 104.8 34.1 325 1 1 15 42.913 85.826 0.442 2.96 8 5.8 0.1 326 1 5 9 42.916 85.832 0.442 2.96 8 32.0 3.1 327 5 1 9 42.916 85.832 0.442 2.96 8 10.7 0.4 328 2 5 8 43.029 86.058 0.443 2.95 8 76.0 17.6 329 5 2 8 43.029 86.058 0.443 2.95 8 81.4 20.2 330 1 6 4 43.03 86.06 0.443 2.95 8 211.6 136.5 331 6 1 4 43.03 86.06 0.443 2.95 8 250.1 190.6 332 4 0 12 43.252 86.504 0.445 2.94 8 52.1 8.2 333 3 5 6 43.254 86.508 0.445 2.93 8 135.9 55.9 334 5 3 6 43.254 86.508 0.445 2.93 8 144.8 63.5 335 2 6 0 43.255 86.51 0.445 2.93 4 358.6 194.8 336 6 2 0 43.255 86.51 0.445 2.93 4 349.4 184.9 337 2 4 11 43.365 86.729 0.446 2.93 8 36.4 4.0 338 4 2 11 43.365 86.729 0.446 2.93 8 8.8 0.2 339 4 4 7 43.366 86.732 0.446 2.93 8 27.5 2.3 340 6 0 5 43.367 86.733 0.446 2.93 8 51.3 7.9 341 2 6 1 43.367 86.734 0.446 2.93 8 1.2 0.0 342 6 2 1 43.367 86.734 0.446 2.93 8 20.4 1.3 343 2 2 14 43.7 87.4 0.448 2.9 8 79.8 19.1 344 2 6 2 43.704 87.408 0.448 2.9 8 228.6 156.6 345 6 2 2 43.704 87.408 0.448 2.9 8 230.2 158.8 346 1 4 12 43.925 87.851 0.45 2.89 8 225.4 151.6 347 4 1 12 43.925 87.851 0.45 2.89 8 231.1 159.3 348 2 3 13 44.037 88.074 0.451 2.88 8 1.4 0.0 349 3 2 13 44.037 88.074 0.451 2.88 8 15.3 0.7 350 1 6 5 44.04 88.08 0.451 2.88 8 32.2 3.1 351 6 1 5 44.04 88.08 0.451 2.88 8 6.2 0.1 352 4 5 1 44.04 88.081 0.451 2.88 8 34.1 3.5 353 5 4 1 44.04 88.081 0.451 2.88 8 44.2 5.8 354 2 0 15 44.26 88.52 0.453 2.87 8 11.4 0.4 355 2 6 3 44.265 88.529 0.453 2.87 8 15.0 0.7 356 6 2 3 44.265 88.529 0.453 2.87 8 17.1 0.9 357 3 0 14 44.373 88.746 0.454 2.86 8 185.2 101.4 358 3 4 10 44.375 88.75 0.454 2.86 8 49.2 7.1 359 4 3 10 44.375 88.75 0.454 2.86 8 56.0 9.3 360 5 0 10 44.375 88.75 0.454 2.86 8 51.3 7.8 361 4 5 2 44.377 88.754 0.454 2.86 8 119.8 42.4 362 5 4 2 44.377 88.754 0.454 2.86 8 112.7 37.5 363 3 3 12 44.598 89.196 0.456 2.85 8 192.2 108.7 364 6 0 6 44.6 89.201 0.456 2.85 8 22.8 1.5 365 3 5 7 44.712 89.424 0.457 2.84 8 21.4 1.3 366 5 3 7 44.712 89.424 0.457 2.84 8 6.5 0.1 367 1 2 15 44.933 89.866 0.458 2.83 8 1.7 0.0 368 2 1 15 44.933 89.866 0.458 2.83 8 39.2 4.5 369 2 5 9 44.936 89.872 0.458 2.83 8 40.1 4.7 370 5 2 9 44.936 89.872 0.458 2.83 8 5.0 0.1 371 4 5 3 44.937 89.874 0.458 2.83 8 48.7 6.9 372 5 4 3 44.937 89.874 0.458 2.83 8 11.0 0.4 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 0 0 1 2.535 5.07 17.416 111.1 1.5 1.5 5.5 2 0 0 2 5.075 10.15 8.708 7599.8 100.0 100.0 5.6 3 1 0 1 6.721 13.441 6.58211 390.1 5.1 5.1 5.6 4 1 0 2 8.04 16.081 5.50712 2955.2 38.9 38.7 5.6 5 1 1 0 8.814 17.628 5.02711 2698.6 35.5 35.3 5.6 6 0 0 4 10.19 20.38 4.354 999.9 13.2 13.1 5.6 7 1 0 4 11.973 23.946 3.71301 6717.0 88.4 87.6 5.6 8 2 0 0 12.515 25.03 3.5547 5237.1 68.9 68.2 5.6 9 2 0 2 13.536 27.072 3.29106 4202.3 55.3 54.7 5.6 10 2 1 1 14.257 28.514 3.12773 325.2 4.3 4.2 5.6 11 2 0 3 14.72 29.439 3.03153 94.9 1.2 1.2 5.6 12 2 1 2 14.946 29.893 2.98658 1640.9 21.6 21.3 5.6 13 2 0 4 16.245 32.489 2.75356 532.6 7.0 6.9 5.6 14 1 0 6 16.657 33.313 2.68731 698.6 9.2 9.0 5.6 15 1 2 4 17.457 34.914 2.5677 1649.9 21.7 21.3 5.7 16 2 2 0 17.845 35.691 2.51355 1964.9 25.9 25.4 5.7 17 2 0 5 18.036 36.072 2.48789 78.6 1.0 1.0 5.7 18 2 2 2 18.6 37.2 2.41496 1580.3 20.8 20.4 5.7 19 3 0 1 19.15 38.299 2.34816 135.5 1.8 1.7 5.7 20 3 0 2 19.686 39.372 2.28664 512.0 6.7 6.6 5.7 21 1 3 0 20.037 40.073 2.24819 1457.0 19.2 18.7 5.7 22 0 0 8 20.722 41.443 2.177 1034.3 13.6 13.3 5.7 23 2 1 6 21.059 42.118 2.14367 855.2 11.3 11.0 5.7 24 3 1 3 21.556 43.113 2.09647 130.2 1.7 1.7 5.7 25 3 0 4 21.72 43.439 2.08146 1819.5 23.9 23.3 5.7 26 1 1 8 22.68 45.359 1.99772 1593.7 21.0 20.4 5.7 27 3 2 1 23.15 46.301 1.95928 76.6 1.0 1.0 5.7 28 3 2 2 23.612 47.224 1.92311 498.2 6.6 6.4 5.7 29 3 1 5 24.066 48.132 1.88891 94.5 1.2 1.2 5.7 30 2 0 8 24.514 49.027 1.85651 396.1 5.2 5.0 5.7 31 3 0 6 24.81 49.62 1.83571 382.8 5.0 4.9 5.7 32 3 2 4 25.394 50.788 1.79619 1523.6 20.0 19.4 5.8 33 4 0 0 25.683 51.365 1.77735 1462.2 19.2 18.6 5.8 34 4 0 2 26.252 52.504 1.74145 550.2 7.2 7.0 5.8 35 4 1 2 27.091 54.181 1.69144 232.4 3.1 2.9 5.8 36 3 3 0 27.366 54.732 1.6757 298.8 3.9 3.8 5.8 37 1 1 10 27.909 55.819 1.64564 970.1 12.8 12.2 5.8 38 3 2 6 28.181 56.362 1.63106 433.0 5.7 5.5 5.8 39 4 1 4 28.717 57.434 1.60315 1102.0 14.5 13.9 5.8 40 2 4 0 28.982 57.965 1.58971 1132.0 14.9 14.3 5.8 41 4 2 2 29.508 59.017 1.56386 2730.6 35.9 34.3 5.8 42 2 4 4 31.053 62.106 1.49329 171.6 2.3 2.1 5.8 43 1 4 6 31.305 62.611 1.48245 201.2 2.6 2.5 5.8 44 2 3 8 31.808 63.615 1.46144 94.5 1.2 1.2 5.9 45 3 3 6 32.058 64.116 1.45123 170.9 2.2 2.1 5.9 46 2 2 10 32.553 65.106 1.43154 100.3 1.3 1.2 5.9 47 1 0 12 32.798 65.597 1.42201 385.2 5.1 4.8 5.9 48 5 0 2 33.292 66.584 1.4033 267.6 3.5 3.3 5.9 49 1 1 12 33.533 67.066 1.39439 353.4 4.6 4.4 5.9 50 3 1 10 34.019 68.038 1.37681 1135.4 14.9 14.1 5.9 51 5 0 4 34.742 69.485 1.35163 824.3 10.8 10.2 5.9 52 3 3 8 35.456 70.913 1.32788 611.2 8.0 7.5 5.9 53 1 2 12 35.691 71.383 1.32028 304.4 4.0 3.7 5.9 54 5 2 2 36.166 72.333 1.30527 138.2 1.8 1.7 5.9 55 4 2 8 36.868 73.737 1.28385 280.8 3.7 3.4 6.0 56 5 0 6 37.102 74.204 1.27691 266.3 3.5 3.3 6.0 57 5 2 4 37.568 75.135 1.26338 360.7 4.7 4.4 6.0 58 4 4 0 37.8 75.599 1.25678 395.1 5.2 4.8 6.0 59 4 4 2 38.262 76.523 1.24389 245.4 3.2 3.0 6.0 60 3 0 12 38.489 76.978 1.23767 272.6 3.6 3.3 6.0 61 1 0 14 38.947 77.894 1.22538 109.5 1.4 1.3 6.0 62 1 3 12 39.177 78.355 1.21933 406.1 5.3 4.9 6.0 63 5 3 2 39.637 79.275 1.20747 384.6 5.1 4.7 6.0 64 2 5 6 39.865 79.73 1.20173 126.8 1.7 1.5 6.0 65 6 0 0 40.548 81.095 1.1849 188.2 2.5 2.3 6.1 66 6 0 2 41.001 82.002 1.17408 859.9 11.3 10.4 6.1 67 2 3 12 41.224 82.449 1.16885 341.0 4.5 4.1 6.1 68 2 1 14 41.675 83.35 1.15848 300.5 4.0 3.6 6.1 69 6 1 4 43.03 86.06 1.12881 364.9 4.8 4.4 6.1 70 6 2 0 43.255 86.51 1.12409 507.4 6.7 6.0 6.1 71 6 2 2 43.704 87.408 1.11484 334.5 4.4 4.0 6.2 72 4 1 12 43.925 87.851 1.11036 310.8 4.1 3.7 6.2 73 3 0 14 44.373 88.746 1.10146 205.5 2.7 2.4 6.2 74 3 3 12 44.598 89.196 1.09706 110.3 1.5 1.3 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) |