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 *** *********************** BANNERMANITE 1, f-shcherbinaite, DF (Na,K)(0.7)V(6)O(15) Monoclinic C 2/m Z = 2 R =0.094 NR =679 18 .6 .1995 Ref.Str.: Hughes J.N., Finger L.W. (1983) * Amer. Mineral., 68, 634-641 Reserv: N.A.D. Initial data from BDM-file Lattice parameters (cub. angs.,degr.): a = 15.413 alpha = 90.0 b = 3.615 beta = 109.29 c = 10.066 gamma = 90.0 Unit cell volume (cub. angs.) = 529.37 Molar volume ( cub.cm/mol.) = 159.43 Co-ordinates, thermal parameters, occupation for atomic positions: NoP x/a y/b z/c B(j) atom / occupation 1 0.337 0.0 0.103 0.0 V = 1.00 2 0.1163 0.0 0.1176 0.0 V = 1.00 3 0.2873 0.0 0.41 0.0 V = 1.00 4 0.0 0.0 0.0 0.0 O = 1.00 5 0.8171 0.0 0.058 0.0 O = 1.00 6 0.6342 0.0 0.078 0.0 O = 1.00 7 0.4354 0.0 0.218 0.0 O = 1.00 8 0.2618 0.0 0.221 0.0 O = 1.00 9 0.107 0.0 0.272 0.0 O = 1.00 10 0.7554 0.0 0.426 0.0 O = 1.00 11 0.3952 0.0 0.469 0.0 O = 1.00 12 0.002 0.0 0.411 0.0 Na = 0.6 , K = 0.1 Co-ordinates for all atomic positions : No NoP x/a y/b z/c 1 1 0.337 0.0 0.103 2 2 0.1163 0.0 0.1176 3 3 0.2873 0.0 0.41 4 4 0.0 0.0 0.0 5 5 0.8171 0.0 0.058 6 6 0.6342 0.0 0.078 7 7 0.4354 0.0 0.218 8 8 0.2618 0.0 0.221 9 9 0.107 0.0 0.272 10 10 0.7554 0.0 0.426 11 11 0.3952 0.0 0.469 12 12 0.002 0.0 0.411 13 1 0.663 0.0 0.897 14 2 0.8837 0.0 0.8824 15 3 0.7127 0.0 0.59 16 5 0.1829 0.0 0.942 17 6 0.3658 0.0 0.922 18 7 0.5646 0.0 0.782 19 8 0.7382 0.0 0.779 20 9 0.893 0.0 0.728 21 10 0.2446 0.0 0.574 22 11 0.6048 0.0 0.531 23 12 0.998 0.0 0.589 24 1 0.837 0.5 0.103 25 2 0.6163 0.5 0.1176 26 3 0.7873 0.5 0.41 27 4 0.5 0.5 0.0 28 5 0.3171 0.5 0.058 29 6 0.1342 0.5 0.078 30 7 0.9354 0.5 0.218 31 8 0.7618 0.5 0.221 32 9 0.607 0.5 0.272 33 10 0.2554 0.5 0.426 34 11 0.8952 0.5 0.469 35 12 0.502 0.5 0.411 36 1 0.163 0.5 0.897 37 2 0.3837 0.5 0.8824 38 3 0.2127 0.5 0.59 39 5 0.6829 0.5 0.942 40 6 0.8658 0.5 0.922 41 7 0.0646 0.5 0.782 42 8 0.2382 0.5 0.779 43 9 0.393 0.5 0.728 44 10 0.7446 0.5 0.574 45 11 0.1048 0.5 0.531 46 12 0.498 0.5 0.589 X-ray density (g/cm cub.) = 3.64 MU (1/cm) = 476.165 Mass attenuation coefficient (cm**2/g) = 130.669 Selected interatomic distances (cation-anion,anion-anion): NoP Atom Rad.sph. C.N. Distance NoP N. (angs.) (angs.) 1 V 2.496 6 1.5749 7 1.9141 8 2.3926 5 2.0127 6 1.864 5 1.864 5 2 V 2.496 6 1.7923 4 2.1378 8 1.6072 9 2.3188 5 1.8907 6 1.8907 6 3 V 2.496 5 1.811 8 1.5703 11 1.9688 10 1.894 10 1.894 10 4 O 3.264 12 3.0619 5 2.6894 9 3.0619 5 2.6894 9 2.6625 6 2.6625 6 3.243 7 3.243 7 2.6625 6 2.6625 6 3.243 7 3.243 7 5 O 3.264 11 3.0619 4 2.8918 6 2.6664 8 2.6917 7 2.6917 7 2.7586 8 2.7586 8 2.7043 5 2.7043 5 2.5266 6 2.5266 6 6 O 3.264 10 2.8918 5 2.8137 7 2.6625 4 2.6625 4 2.7086 8 2.7086 8 2.7923 9 2.7923 9 2.5266 5 2.5266 5 7 O 3.264 9 2.6858 8 2.7932 11 2.8137 6 3.243 4 3.243 4 2.6917 5 2.6917 5 3.0997 9 3.0997 9 8 O 3.264 10 2.6858 7 2.6011 9 2.6586 11 2.6664 5 2.7586 5 2.7586 5 2.7086 6 2.7086 6 2.7694 10 2.7694 10 9 O 3.264 11 2.6894 4 2.6011 8 3.0789 10 2.7923 6 2.7923 6 3.0997 7 3.0997 7 2.9256 10 2.9256 10 3.1818 11 3.1818 11 10 O 3.264 10 3.0789 9 2.8506 11 2.7694 8 2.7694 8 2.9256 9 2.9256 9 2.7352 11 2.7352 11 2.3829 10 2.3829 10 11 O 3.264 8 2.7932 7 2.6586 8 2.8506 10 3.0812 11 2.7352 10 2.7352 10 3.1818 9 3.1818 9 12 Na ,K 3.228 7 2.4643 9 2.6033 7 2.6033 7 2.6368 11 2.6368 11 2.4438 11 2.4438 11 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 4.65 9.301 0.053 301.29 2 44.4 423.6 2 2 0 0 6.079 12.158 0.069 175.38 2 91.4 1046.8 3 2 0 -1 6.319 12.638 0.071 162.12 2 12.6 18.5 4 2 0 1 8.81 17.621 0.099 82.32 2 21.2 26.5 5 2 0 -2 9.308 18.616 0.105 73.52 2 10.1 5.4 6 0 0 2 9.332 18.663 0.105 73.14 2 82.7 357.4 7 4 0 -1 11.549 23.099 0.13 47.01 2 72.0 174.1 8 4 0 0 12.228 24.455 0.137 41.71 2 48.1 68.9 9 1 1 0 12.683 25.366 0.143 38.62 4 8.9 4.3 10 4 0 -2 12.717 25.434 0.143 38.41 2 24.6 16.7 11 2 0 2 12.769 25.538 0.143 38.08 2 69.1 129.7 12 1 1 -1 13.174 26.348 0.148 35.65 4 141.3 1016.2 13 2 0 -3 13.355 26.71 0.15 34.64 2 31.0 23.7 14 1 1 1 13.888 27.777 0.156 31.88 4 105.8 509.4 15 0 0 3 14.077 28.154 0.158 30.97 2 68.1 102.6 16 4 0 1 14.51 29.02 0.163 29.04 2 207.6 893.5 17 3 1 -1 15.195 30.39 0.17 26.31 4 11.5 5.0 18 1 1 -2 15.209 30.419 0.17 26.25 4 29.0 31.6 19 4 0 -3 15.339 30.679 0.172 25.78 2 191.4 674.1 20 3 1 0 15.413 30.826 0.173 25.51 4 98.2 351.4 21 3 1 -2 16.42 32.841 0.183 22.26 4 128.6 525.5 22 1 1 2 16.448 32.896 0.184 22.17 4 32.8 34.1 23 3 1 1 17.024 34.048 0.19 20.58 4 75.0 165.2 24 2 0 3 17.195 34.389 0.192 20.14 2 50.7 37.0 25 6 0 -1 17.506 35.012 0.195 19.36 2 35.3 17.2 26 6 0 -2 17.774 35.548 0.198 18.73 2 42.7 24.4 27 2 0 -4 17.824 35.648 0.199 18.61 2 107.6 153.7 28 4 0 2 17.838 35.677 0.199 18.58 2 14.9 2.9 29 1 1 -3 18.325 36.651 0.204 17.52 4 88.2 194.3 30 6 0 0 18.523 37.047 0.206 17.11 2 5.8 0.4 31 3 1 -3 18.839 37.677 0.21 16.48 4 8.8 1.8 32 4 0 -4 18.874 37.748 0.21 16.41 2 75.8 67.3 33 0 0 4 18.923 37.846 0.211 16.32 2 104.3 126.8 34 5 1 -1 19.175 38.35 0.213 15.85 4 20.1 9.1 35 6 0 -3 19.281 38.562 0.214 15.66 2 48.1 25.8 36 5 1 -2 19.681 39.362 0.219 14.96 4 4.6 0.4 37 3 1 2 19.728 39.456 0.219 14.88 4 4.2 0.4 38 5 1 0 19.867 39.734 0.221 14.65 4 64.8 87.7 39 1 1 3 19.901 39.803 0.221 14.6 4 26.4 14.5 40 6 0 1 20.663 41.326 0.229 13.42 2 196.3 369.3 41 5 1 -3 21.313 42.626 0.236 12.52 4 43.4 33.7 42 5 1 1 21.661 43.322 0.24 12.08 4 10.7 2.0 43 6 0 -4 21.809 43.619 0.241 11.89 2 60.0 30.6 44 4 0 3 21.811 43.623 0.241 11.89 2 62.6 33.3 45 2 0 4 21.896 43.792 0.242 11.79 2 8.9 0.7 46 3 1 -4 22.118 44.237 0.244 11.52 4 38.8 24.8 47 1 1 -4 22.14 44.28 0.245 11.5 4 63.5 66.2 48 2 0 -5 22.559 45.119 0.249 11.02 2 61.5 29.7 49 4 0 -5 22.983 45.966 0.253 10.57 2 223.2 375.7 50 3 1 3 23.21 46.42 0.256 10.33 4 4.6 0.3 51 8 0 -2 23.605 47.209 0.26 9.95 2 108.7 83.9 52 6 0 2 23.676 47.352 0.261 9.88 2 86.2 52.4 53 8 0 -1 23.836 47.672 0.262 9.73 2 15.7 1.7 54 5 1 -4 23.884 47.768 0.263 9.68 4 61.2 51.8 55 0 0 5 23.914 47.829 0.263 9.66 2 19.2 2.5 56 1 1 4 23.945 47.89 0.263 9.63 4 23.3 7.4 57 7 1 -2 24.301 48.603 0.267 9.31 4 29.3 11.4 58 7 1 -1 24.312 48.623 0.267 9.3 4 115.3 176.6 59 5 1 2 24.361 48.722 0.268 9.26 4 88.8 104.1 60 8 0 -3 24.389 48.779 0.268 9.24 2 18.5 2.2 61 8 0 0 25.061 50.123 0.275 8.68 2 80.5 40.2 62 6 0 -5 25.117 50.233 0.276 8.64 2 73.5 33.3 63 0 2 0 25.224 50.448 0.277 8.55 2 327.5 654.8 64 7 1 -3 25.281 50.561 0.277 8.51 4 28.4 9.8 65 7 1 0 25.311 50.621 0.278 8.49 4 77.8 73.4 66 0 2 1 25.709 51.418 0.282 8.19 4 32.4 12.3 67 3 1 -5 26.018 52.036 0.285 7.97 4 24.4 6.8 68 2 2 0 26.048 52.095 0.285 7.95 4 67.1 51.1 69 2 2 -1 26.113 52.226 0.286 7.91 4 9.5 1.0 70 8 0 -4 26.121 52.242 0.286 7.9 2 128.4 93.0 71 4 0 4 26.235 52.469 0.287 7.82 2 23.8 3.1 72 1 1 -5 26.447 52.894 0.289 7.68 4 9.5 1.0 73 2 0 5 26.844 53.687 0.293 7.42 2 29.8 4.7 74 2 2 1 26.926 53.853 0.294 7.37 4 17.7 3.3 75 2 2 -2 27.118 54.235 0.296 7.25 4 8.3 0.7 76 0 2 2 27.127 54.254 0.296 7.25 4 61.8 39.6 77 7 1 -4 27.171 54.343 0.296 7.22 4 15.0 2.3 78 8 0 1 27.183 54.365 0.297 7.22 2 12.2 0.8 79 5 1 -5 27.198 54.396 0.297 7.21 4 82.3 69.7 80 7 1 1 27.219 54.437 0.297 7.19 4 48.2 23.9 81 3 1 4 27.263 54.527 0.297 7.17 4 71.3 52.0 82 6 0 3 27.355 54.709 0.298 7.11 2 111.4 63.0 83 4 0 -6 27.514 55.029 0.3 7.02 2 34.8 6.1 84 2 0 -6 27.542 55.084 0.3 7.0 2 35.6 6.3 85 5 1 3 27.778 55.555 0.303 6.87 4 89.9 79.2 86 4 2 -1 28.089 56.178 0.306 6.7 4 54.9 28.8 87 4 2 0 28.417 56.834 0.309 6.52 4 38.8 14.0 88 1 1 5 28.434 56.868 0.309 6.51 4 13.7 1.7 89 4 2 -2 28.663 57.326 0.311 6.4 4 20.2 3.7 90 8 0 -5 28.679 57.358 0.312 6.39 2 23.3 2.5 91 2 2 2 28.69 57.379 0.312 6.38 4 54.5 27.1 92 2 2 -3 28.995 57.99 0.315 6.23 4 25.1 5.6 93 6 0 -6 29.028 58.056 0.315 6.22 2 18.5 1.5 94 0 0 6 29.107 58.215 0.316 6.18 2 175.4 135.6 95 0 2 3 29.385 58.771 0.319 6.05 4 52.5 23.8 96 4 2 1 29.627 59.254 0.321 5.94 4 166.9 236.2 97 9 1 -2 29.85 59.699 0.323 5.84 4 38.7 12.5 98 7 1 -5 29.857 59.713 0.323 5.84 4 112.8 106.1 99 7 1 2 29.919 59.838 0.324 5.81 4 24.7 5.1 100 10 0 -2 29.995 59.99 0.325 5.78 2 175.2 126.5 101 8 0 2 30.073 60.145 0.325 5.74 2 130.8 70.2 102 4 2 -3 30.105 60.21 0.326 5.73 4 152.5 190.1 103 9 1 -1 30.233 60.467 0.327 5.67 4 98.3 78.2 104 10 0 -3 30.292 60.584 0.327 5.65 2 67.2 18.2 105 9 1 -3 30.334 60.669 0.328 5.63 4 59.3 28.3 106 3 1 -6 30.409 60.819 0.329 5.6 4 149.8 179.5 107 10 0 -1 30.564 61.127 0.33 5.54 2 6.4 0.2 108 4 0 5 31.042 62.084 0.335 5.35 2 165.8 105.0 109 5 1 -6 31.115 62.23 0.335 5.32 4 166.0 209.4 110 1 1 -6 31.166 62.331 0.336 5.3 4 47.8 17.3 111 2 2 3 31.242 62.484 0.337 5.28 4 37.9 10.8 112 10 0 -4 31.44 62.88 0.339 5.2 2 78.7 23.0 113 6 2 -1 31.441 62.883 0.339 5.2 4 29.4 6.4 114 9 1 0 31.467 62.934 0.339 5.19 4 78.5 45.6 115 6 0 4 31.575 63.149 0.34 5.15 2 67.7 16.8 116 6 2 -2 31.615 63.23 0.34 5.14 4 31.3 7.2 117 2 2 -4 31.648 63.295 0.341 5.13 4 77.3 43.7 118 4 2 2 31.657 63.314 0.341 5.13 4 11.1 0.9 119 9 1 -4 31.664 63.328 0.341 5.12 4 26.2 5.0 120 5 1 4 31.781 63.562 0.342 5.08 4 114.9 95.8 121 3 1 5 31.789 63.577 0.342 5.08 4 29.0 6.1 122 8 0 -6 31.943 63.886 0.343 5.03 2 50.9 9.3 123 10 0 0 31.971 63.941 0.344 5.02 2 46.7 7.8 124 2 0 6 32.068 64.136 0.345 4.98 2 109.7 42.8 125 6 2 0 32.11 64.22 0.345 4.97 4 12.1 1.0 126 4 2 -4 32.346 64.692 0.347 4.89 4 57.1 22.8 127 0 2 4 32.379 64.758 0.348 4.88 4 95.6 63.7 128 4 0 -7 32.426 64.852 0.348 4.86 2 48.6 8.2 129 6 2 -3 32.623 65.247 0.35 4.8 4 49.4 16.8 130 2 0 -7 32.809 65.618 0.352 4.74 2 15.6 0.8 131 7 1 -6 33.229 66.458 0.356 4.62 4 11.4 0.9 132 7 1 3 33.304 66.609 0.356 4.59 4 22.2 3.2 133 1 1 6 33.327 66.654 0.357 4.59 4 60.6 24.1 134 10 0 -5 33.39 66.78 0.357 4.57 2 15.4 0.8 135 6 0 -7 33.453 66.907 0.358 4.55 2 77.7 19.6 136 9 1 1 33.497 66.994 0.358 4.54 4 103.5 69.4 137 6 2 1 33.593 67.186 0.359 4.51 4 145.0 135.4 138 8 0 3 33.626 67.251 0.359 4.5 2 26.1 2.2 139 9 1 -5 33.783 67.566 0.361 4.46 4 121.8 94.5 140 10 0 1 34.16 68.32 0.364 4.36 2 99.4 30.7 141 6 2 -4 34.428 68.855 0.367 4.29 4 39.9 9.7 142 4 2 3 34.429 68.858 0.367 4.29 4 49.7 15.1 143 2 2 4 34.492 68.984 0.368 4.27 4 11.6 0.8 144 0 0 7 34.578 69.155 0.368 4.25 2 38.0 4.4 145 2 2 -5 34.988 69.976 0.372 4.15 4 48.7 14.0 146 3 1 -7 35.254 70.507 0.375 4.08 4 12.1 0.9 147 4 2 -5 35.309 70.618 0.375 4.07 4 171.2 170.4 148 5 1 -7 35.566 71.132 0.378 4.01 4 7.1 0.3 149 8 2 -2 35.786 71.573 0.38 3.97 4 92.5 48.5 150 8 0 -7 35.83 71.661 0.38 3.96 2 89.7 22.7 151 6 2 2 35.842 71.683 0.38 3.95 4 61.2 21.1 152 8 2 -1 35.966 71.931 0.381 3.93 4 10.0 0.6 153 0 2 5 36.027 72.054 0.382 3.91 4 18.3 1.9 154 10 0 -6 36.08 72.159 0.382 3.9 2 64.0 11.4 155 11 1 -2 36.183 72.365 0.383 3.88 4 52.6 15.3 156 4 0 6 36.245 72.489 0.384 3.87 2 18.3 0.9 157 9 1 2 36.261 72.523 0.384 3.86 4 71.1 27.9 158 11 1 -3 36.283 72.566 0.384 3.86 4 90.1 44.8 159 6 0 5 36.292 72.584 0.384 3.86 2 24.6 1.7 160 1 1 -7 36.297 72.594 0.384 3.86 4 47.4 12.4 161 5 1 5 36.315 72.629 0.384 3.85 4 4.9 0.1 162 8 2 -3 36.399 72.798 0.385 3.84 4 17.9 1.8 163 9 1 -6 36.629 73.258 0.387 3.79 4 33.6 6.1 164 3 1 6 36.769 73.539 0.389 3.76 4 5.8 0.2 165 11 1 -1 36.87 73.741 0.389 3.74 4 12.4 0.8 166 12 0 -3 36.916 73.831 0.39 3.74 2 4.2 0.0 167 8 2 0 36.932 73.864 0.39 3.73 4 60.2 19.3 168 6 2 -5 36.976 73.952 0.39 3.72 4 54.7 15.9 169 12 0 -2 36.985 73.971 0.391 3.72 2 17.4 0.8 170 10 0 2 37.071 74.142 0.391 3.71 2 91.2 22.0 171 11 1 -4 37.168 74.337 0.392 3.69 4 43.3 9.9 172 7 1 -7 37.22 74.441 0.393 3.68 4 44.0 10.2 173 7 1 4 37.308 74.617 0.393 3.66 4 3.1 0.1 174 12 0 -4 37.628 75.255 0.396 3.61 2 1.8 0.0 175 2 0 7 37.643 75.286 0.396 3.6 2 8.0 0.2 176 4 0 -8 37.748 75.496 0.397 3.59 2 36.4 3.4 177 8 0 4 37.782 75.565 0.398 3.58 2 58.6 8.8 178 8 2 -4 37.788 75.575 0.398 3.58 4 103.8 55.0 179 12 0 -1 37.835 75.67 0.398 3.57 2 86.9 19.3 180 4 2 4 37.881 75.761 0.399 3.56 4 24.0 2.9 181 11 1 0 38.33 76.66 0.403 3.49 4 56.9 16.1 182 6 0 -8 38.379 76.758 0.403 3.48 2 29.3 2.1 183 2 2 5 38.382 76.763 0.403 3.48 4 23.4 2.7 184 2 0 -8 38.44 76.881 0.404 3.47 2 45.3 5.1 185 1 1 7 38.654 77.308 0.405 3.44 4 158.3 123.1 186 8 2 1 38.663 77.326 0.406 3.44 4 13.6 0.9 187 6 2 3 38.807 77.614 0.407 3.42 4 88.9 38.6 188 11 1 -5 38.82 77.639 0.407 3.42 4 63.8 19.8 189 4 2 -6 38.94 77.881 0.408 3.4 4 29.2 4.1 190 2 2 -6 38.963 77.927 0.408 3.39 4 28.5 3.9 191 12 0 -5 39.107 78.213 0.409 3.37 2 20.9 1.1 192 12 0 0 39.448 78.897 0.412 3.33 2 0.7 0.0 193 10 0 -7 39.459 78.919 0.413 3.33 2 20.8 1.0 194 9 1 3 39.712 79.424 0.415 3.29 4 12.8 0.8 195 1 3 0 39.898 79.796 0.416 3.27 4 7.9 0.3 196 8 2 -5 39.927 79.853 0.417 3.26 4 17.7 1.5 197 1 3 -1 40.116 80.231 0.418 3.24 4 87.7 35.6 198 9 1 -7 40.158 80.315 0.419 3.24 4 23.2 2.5 199 6 2 -6 40.226 80.452 0.419 3.23 4 14.4 1.0 200 0 2 6 40.294 80.589 0.42 3.22 4 140.9 91.2 201 8 0 -8 40.314 80.629 0.42 3.22 2 94.7 20.6 202 0 0 8 40.436 80.872 0.421 3.2 2 32.3 2.4 203 1 3 1 40.445 80.89 0.421 3.2 4 68.5 21.4 204 11 1 1 40.536 81.072 0.422 3.19 4 33.4 5.1 205 5 1 -8 40.554 81.109 0.422 3.19 4 26.3 3.1 206 3 1 -8 40.585 81.169 0.422 3.18 4 42.6 8.2 207 10 0 3 40.663 81.327 0.423 3.18 2 22.9 1.2 208 10 2 -2 41.065 82.13 0.426 3.13 4 142.3 90.6 209 3 3 -1 41.087 82.174 0.427 3.13 4 2.3 0.0 210 1 3 -2 41.094 82.189 0.427 3.13 4 21.2 2.0 211 8 2 2 41.133 82.266 0.427 3.12 4 108.1 52.1 212 3 3 0 41.199 82.398 0.428 3.12 4 64.3 18.4 213 11 1 -6 41.212 82.423 0.428 3.12 4 87.6 34.1 214 10 2 -3 41.325 82.65 0.429 3.1 4 53.7 12.8 215 12 0 -6 41.331 82.661 0.429 3.1 2 18.3 0.7 216 5 1 6 41.393 82.786 0.429 3.1 4 33.4 4.9 217 6 0 6 41.535 83.069 0.43 3.08 2 27.2 1.6 218 10 2 -1 41.564 83.128 0.431 3.08 4 6.2 0.2 219 3 3 -2 41.735 83.469 0.432 3.06 4 90.4 35.7 220 1 3 2 41.75 83.499 0.432 3.06 4 24.6 2.6 221 12 0 1 41.803 83.606 0.433 3.06 2 32.7 2.3 222 7 1 -8 41.821 83.641 0.433 3.05 4 5.8 0.1 223 1 1 -8 41.911 83.822 0.434 3.05 4 7.8 0.3 224 4 0 7 41.92 83.841 0.434 3.05 2 97.4 20.6 225 7 1 5 41.921 83.843 0.434 3.05 4 97.3 41.1 226 4 2 5 41.988 83.975 0.434 3.04 4 134.4 78.4 227 3 3 1 42.069 84.138 0.435 3.03 4 43.5 8.2 228 3 1 7 42.261 84.523 0.437 3.01 4 15.4 1.0 229 10 2 -4 42.343 84.685 0.437 3.01 4 61.9 16.4 230 6 2 4 42.463 84.926 0.438 3.0 4 56.5 13.7 231 8 0 5 42.545 85.09 0.439 2.99 2 53.5 6.1 232 8 2 -6 42.794 85.587 0.441 2.97 4 44.4 8.4 233 10 2 0 42.819 85.637 0.441 2.97 4 38.7 6.3 234 1 3 -3 42.825 85.65 0.441 2.97 4 68.8 20.0 235 2 2 6 42.906 85.813 0.442 2.96 4 89.4 33.8 236 3 3 -3 43.136 86.272 0.444 2.94 4 5.1 0.1 237 13 1 -3 43.151 86.302 0.444 2.94 4 17.8 1.3 238 4 2 -7 43.23 86.461 0.445 2.94 4 42.7 7.7 239 5 3 -1 43.343 86.687 0.446 2.93 4 22.8 2.2 240 13 1 -2 43.381 86.761 0.446 2.93 4 89.9 33.7 241 11 1 2 43.471 86.942 0.447 2.92 4 64.7 17.5 242 10 0 -8 43.517 87.035 0.447 2.92 2 54.2 6.1 243 4 0 -9 43.577 87.154 0.447 2.91 2 89.5 16.6 244 2 2 -7 43.578 87.157 0.447 2.91 4 12.0 0.6 245 5 3 -2 43.661 87.322 0.448 2.91 4 28.3 3.3 246 13 1 -4 43.675 87.351 0.448 2.91 4 109.4 49.6 247 3 3 2 43.691 87.382 0.448 2.9 4 9.1 0.3 248 2 0 8 43.697 87.395 0.448 2.9 2 1.5 0.0 249 5 3 0 43.78 87.56 0.449 2.9 4 55.3 12.6 250 1 3 3 43.802 87.604 0.449 2.9 4 43.1 7.7 251 9 1 4 43.84 87.681 0.45 2.89 4 84.2 29.3 252 6 0 -9 43.865 87.729 0.45 2.89 2 40.6 3.4 253 10 2 -5 44.111 88.221 0.452 2.88 4 13.3 0.7 254 6 2 -7 44.169 88.338 0.452 2.87 4 64.3 17.0 255 12 0 -7 44.287 88.573 0.453 2.87 2 99.3 20.2 256 8 2 3 44.328 88.655 0.454 2.86 4 20.9 1.8 257 11 1 -7 44.331 88.662 0.454 2.86 4 16.2 1.1 258 13 1 -1 44.364 88.729 0.454 2.86 4 81.8 27.4 259 9 1 -8 44.367 88.735 0.454 2.86 4 43.9 7.9 260 14 0 -3 44.4 88.8 0.454 2.86 2 28.5 1.7 261 1 1 8 44.517 89.034 0.455 2.85 4 46.9 9.0 262 2 0 -9 44.575 89.15 0.456 2.85 2 33.9 2.3 263 5 3 -3 44.732 89.464 0.457 2.84 4 25.4 2.6 264 14 0 -4 44.761 89.523 0.457 2.84 2 39.1 3.1 265 14 0 -2 44.792 89.585 0.457 2.84 2 63.7 8.2 266 10 2 1 44.822 89.645 0.458 2.84 4 82.9 27.9 267 12 0 2 44.89 89.779 0.458 2.83 2 14.1 0.4 268 10 0 4 44.941 89.882 0.459 2.83 2 77.4 12.1 269 13 1 -5 44.953 89.905 0.459 2.83 4 66.5 17.9 270 5 3 1 44.969 89.939 0.459 2.83 4 2.7 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 0 0 1 4.65 9.301 9.50088 423.6 40.5 40.5 5.6 2 2 0 0 6.079 12.158 7.27385 1046.8 100.0 100.0 5.6 3 2 0 -1 6.319 12.638 6.99826 18.5 1.8 1.8 5.6 4 2 0 1 8.81 17.621 5.02906 26.5 2.5 2.5 5.6 5 0 0 2 9.332 18.663 4.75044 362.7 34.7 34.5 5.6 6 4 0 -1 11.549 23.099 3.84731 174.1 16.6 16.5 5.6 7 4 0 0 12.228 24.455 3.63692 68.9 6.6 6.5 5.6 8 4 0 -2 12.717 25.434 3.49913 16.7 1.6 1.6 5.6 9 2 0 2 12.769 25.538 3.48505 129.7 12.4 12.3 5.6 10 1 1 -1 13.174 26.348 3.37975 1016.2 97.1 96.2 5.6 11 2 0 -3 13.355 26.71 3.33475 23.7 2.3 2.2 5.6 12 1 1 1 13.888 27.777 3.20907 509.4 48.7 48.1 5.6 13 0 0 3 14.077 28.154 3.16696 102.6 9.8 9.7 5.6 14 4 0 1 14.51 29.02 3.07437 893.5 85.4 84.4 5.6 15 1 1 -2 15.209 30.419 2.93611 36.6 3.5 3.5 5.6 16 4 0 -3 15.339 30.679 2.91181 674.1 64.4 63.6 5.6 17 3 1 0 15.413 30.826 2.89828 351.4 33.6 33.1 5.6 18 3 1 -2 16.42 32.841 2.72489 559.6 53.5 52.7 5.6 19 3 1 1 17.024 34.048 2.63097 165.2 15.8 15.5 5.7 20 2 0 3 17.195 34.389 2.60567 37.0 3.5 3.5 5.7 21 6 0 -1 17.506 35.012 2.56073 17.2 1.6 1.6 5.7 22 6 0 -2 17.774 35.548 2.52333 24.4 2.3 2.3 5.7 23 2 0 -4 17.824 35.648 2.51648 156.7 15.0 14.7 5.7 24 1 1 -3 18.325 36.651 2.4499 194.3 18.6 18.2 5.7 25 4 0 -4 18.874 37.748 2.38115 67.3 6.4 6.3 5.7 26 0 0 4 18.923 37.846 2.37522 126.8 12.1 11.9 5.7 27 6 0 -3 19.281 38.562 2.33275 25.8 2.5 2.4 5.7 28 5 1 0 19.867 39.734 2.26659 87.7 8.4 8.2 5.7 29 1 1 3 19.901 39.803 2.26286 14.5 1.4 1.4 5.7 30 6 0 1 20.663 41.326 2.18289 369.3 35.3 34.5 5.7 31 5 1 -3 21.313 42.626 2.11928 33.7 3.2 3.1 5.7 32 4 0 3 21.811 43.623 2.07315 63.9 6.1 5.9 5.7 33 1 1 -4 22.14 44.28 2.04389 91.0 8.7 8.5 5.7 34 2 0 -5 22.559 45.119 2.00782 29.7 2.8 2.8 5.7 35 4 0 -5 22.983 45.966 1.97275 375.7 35.9 34.9 5.7 36 8 0 -2 23.605 47.209 1.92366 83.9 8.0 7.8 5.7 37 6 0 2 23.676 47.352 1.91819 52.4 5.0 4.9 5.7 38 5 1 -4 23.884 47.768 1.90244 51.8 5.0 4.8 5.7 39 7 1 -1 24.312 48.623 1.87098 188.0 18.0 17.4 5.7 40 5 1 2 24.361 48.722 1.8674 106.4 10.2 9.9 5.7 41 8 0 0 25.061 50.123 1.81846 40.2 3.8 3.7 5.7 42 6 0 -5 25.117 50.233 1.81472 33.3 3.2 3.1 5.8 43 0 2 0 25.224 50.448 1.8075 654.8 62.6 60.5 5.8 44 7 1 0 25.311 50.621 1.80172 73.4 7.0 6.8 5.8 45 0 2 1 25.709 51.418 1.77565 12.3 1.2 1.1 5.8 46 2 2 0 26.048 52.095 1.75415 51.1 4.9 4.7 5.8 47 8 0 -4 26.121 52.242 1.74957 94.0 9.0 8.7 5.8 48 0 2 2 27.127 54.254 1.68935 39.6 3.8 3.6 5.8 49 5 1 -5 27.198 54.396 1.68526 96.7 9.2 8.9 5.8 50 3 1 4 27.263 54.527 1.68153 52.0 5.0 4.8 5.8 51 6 0 3 27.355 54.709 1.67635 63.0 6.0 5.8 5.8 52 2 0 -6 27.542 55.084 1.66584 12.4 1.2 1.1 5.8 53 5 1 3 27.778 55.555 1.65282 79.2 7.6 7.3 5.8 54 4 2 -1 28.089 56.178 1.63595 28.8 2.7 2.6 5.8 55 4 2 0 28.417 56.834 1.61862 15.7 1.5 1.4 5.8 56 2 2 2 28.69 57.379 1.60453 33.3 3.2 3.0 5.8 57 0 0 6 29.107 58.215 1.58348 135.6 13.0 12.4 5.8 58 0 2 3 29.385 58.771 1.56982 23.8 2.3 2.2 5.8 59 4 2 1 29.627 59.254 1.55816 236.2 22.6 21.6 5.8 60 7 1 -5 29.857 59.713 1.54727 118.5 11.3 10.8 5.8 61 10 0 -2 29.995 59.99 1.5408 126.5 12.1 11.5 5.8 62 8 0 2 30.073 60.145 1.53718 70.2 6.7 6.4 5.8 63 4 2 -3 30.105 60.21 1.53568 190.1 18.2 17.3 5.8 64 9 1 -1 30.233 60.467 1.52978 78.2 7.5 7.1 5.8 65 10 0 -3 30.292 60.584 1.5271 18.2 1.7 1.7 5.8 66 9 1 -3 30.334 60.669 1.52517 28.3 2.7 2.6 5.8 67 3 1 -6 30.409 60.819 1.52177 179.5 17.1 16.4 5.8 68 4 0 5 31.042 62.084 1.49376 105.0 10.0 9.5 5.8 69 5 1 -6 31.115 62.23 1.49061 209.4 20.0 19.0 5.8 70 1 1 -6 31.166 62.331 1.48843 17.3 1.7 1.6 5.8 71 2 2 3 31.242 62.484 1.48516 10.8 1.0 1.0 5.8 72 9 1 0 31.467 62.934 1.47561 75.0 7.2 6.8 5.9 73 6 0 4 31.575 63.149 1.4711 16.8 1.6 1.5 5.9 74 2 2 -4 31.648 63.295 1.46805 49.7 4.7 4.5 5.9 75 5 1 4 31.781 63.562 1.46254 101.9 9.7 9.2 5.9 76 8 0 -6 31.943 63.886 1.4559 17.1 1.6 1.5 5.9 77 2 0 6 32.068 64.136 1.45083 42.8 4.1 3.9 5.9 78 4 2 -4 32.346 64.692 1.4397 22.8 2.2 2.1 5.9 79 0 2 4 32.379 64.758 1.43838 63.7 6.1 5.8 5.9 80 6 2 -3 32.623 65.247 1.42879 16.8 1.6 1.5 5.9 81 1 1 6 33.327 66.654 1.40201 27.3 2.6 2.5 5.9 82 6 0 -7 33.453 66.907 1.39731 19.6 1.9 1.8 5.9 83 9 1 1 33.497 66.994 1.3957 69.4 6.6 6.3 5.9 84 6 2 1 33.593 67.186 1.39218 135.4 12.9 12.2 5.9 85 9 1 -5 33.783 67.566 1.38528 94.5 9.0 8.5 5.9 86 10 0 1 34.16 68.32 1.37181 30.7 2.9 2.8 5.9 87 4 2 3 34.429 68.858 1.3624 24.8 2.4 2.2 5.9 88 2 2 -5 34.988 69.976 1.34335 14.0 1.3 1.3 5.9 89 4 2 -5 35.309 70.618 1.33269 170.4 16.3 15.3 5.9 90 8 2 -2 35.786 71.573 1.31725 48.5 4.6 4.3 5.9 91 8 0 -7 35.83 71.661 1.31584 43.8 4.2 3.9 5.9 92 10 0 -6 36.08 72.159 1.30798 11.4 1.1 1.0 5.9 93 11 1 -2 36.183 72.365 1.30476 15.3 1.5 1.4 5.9 94 11 1 -3 36.283 72.566 1.30165 86.9 8.3 7.8 6.0 95 8 2 0 36.932 73.864 1.28195 19.3 1.8 1.7 6.0 96 6 2 -5 36.976 73.952 1.28064 16.7 1.6 1.5 6.0 97 10 0 2 37.071 74.142 1.27783 22.0 2.1 2.0 6.0 98 8 2 -4 37.788 75.575 1.25711 63.8 6.1 5.7 6.0 99 12 0 -1 37.835 75.67 1.25577 19.3 1.8 1.7 6.0 100 11 1 0 38.33 76.66 1.24201 16.1 1.5 1.4 6.0 101 1 1 7 38.654 77.308 1.23321 124.0 11.8 11.0 6.0 102 6 2 3 38.807 77.614 1.22911 58.4 5.6 5.2 6.0 103 1 3 -1 40.116 80.231 1.19547 35.6 3.4 3.1 6.0 104 0 2 6 40.294 80.589 1.19106 111.8 10.7 9.8 6.1 105 1 3 1 40.445 80.89 1.18739 23.8 2.3 2.1 6.1 106 10 2 -2 41.065 82.13 1.17258 92.6 8.8 8.1 6.1 107 8 2 2 41.133 82.266 1.17098 52.1 5.0 4.6 6.1 108 11 1 -6 41.212 82.423 1.16914 52.5 5.0 4.6 6.1 109 10 2 -3 41.325 82.65 1.16651 13.5 1.3 1.2 6.1 110 3 3 -2 41.735 83.469 1.15713 38.4 3.7 3.3 6.1 111 7 1 5 41.921 83.843 1.15292 61.8 5.9 5.4 6.1 112 4 2 5 41.988 83.975 1.15144 78.4 7.5 6.8 6.1 113 10 2 -4 42.343 84.685 1.14359 16.4 1.6 1.4 6.1 114 6 2 4 42.463 84.926 1.14096 13.7 1.3 1.2 6.1 115 8 2 -6 42.794 85.587 1.13383 14.7 1.4 1.3 6.1 116 1 3 -3 42.825 85.65 1.13316 20.0 1.9 1.7 6.1 117 2 2 6 42.906 85.813 1.13143 33.8 3.2 2.9 6.1 118 13 1 -2 43.381 86.761 1.12148 33.7 3.2 2.9 6.1 119 11 1 2 43.471 86.942 1.11962 17.5 1.7 1.5 6.1 120 4 0 -9 43.577 87.154 1.11744 17.2 1.6 1.5 6.2 121 13 1 -4 43.675 87.351 1.11542 53.3 5.1 4.6 6.2 122 5 3 0 43.78 87.56 1.1133 20.3 1.9 1.8 6.2 123 9 1 4 43.84 87.681 1.11208 32.7 3.1 2.8 6.2 124 6 2 -7 44.169 88.338 1.10549 17.0 1.6 1.5 6.2 125 12 0 -7 44.287 88.573 1.10316 20.2 1.9 1.7 6.2 126 13 1 -1 44.364 88.729 1.10163 35.2 3.4 3.0 6.2 127 10 2 1 44.822 89.645 1.09273 36.1 3.4 3.1 6.2 128 13 1 -5 44.953 89.905 1.09024 30.0 2.9 2.6 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) |