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 *** *********************** SENEGALITE 1 Al(2)(OH)(3)[H(2)O][PO(4)] Orthorhombic * P2(1)nb Z = 4 R =0.024 NR =1288 6 .11 .1990 Ref.Str.: Keegan T.D., Araki T., Moore P.B. (1979) * Amer. Mineral., 64, 1243-1247 Reserv: See U(ij) in the original Initial data from BDM-file Lattice parameters (cub. angs.,degr.): a = 7.675 alpha = 90.0 b = 9.711 beta = 90.0 c = 7.635 gamma = 90.0 Unit cell volume (cub. angs.) = 569.05 Molar volume ( cub.cm/mol.) = 85.69 Co-ordinates, thermal parameters, occupation for atomic positions: NoP x/a y/b z/c B(j) atom / occupation 1 0.5 0.1989 0.5229 0.56 Al = 1.00 2 0.8832 0.3495 0.662 0.56 Al = 1.00 3 0.5193 0.4825 0.6869 0.52 P = 1.00 4 0.7179 0.4818 0.7206 0.88 O = 1.00 5 0.4311 0.5615 0.8375 0.88 O = 1.00 6 0.4465 0.3349 0.6882 0.86 O = 1.00 7 0.4845 0.5502 0.5116 1.11 O = 1.00 8 0.7255 0.2552 0.5134 0.88 OH = 1.00 9 0.0423 0.4254 0.8294 0.72 OH = 1.00 10 0.831 0.2452 0.8698 0.72 OH = 1.00 11 0.0521 0.2018 0.605 1.07 H(2)O = 1.00 Co-ordinates for all atomic positions : No NoP x/a y/b z/c 1 1 0.5 0.1989 0.5229 2 2 0.8832 0.3495 0.662 3 3 0.5193 0.4825 0.6869 4 4 0.7179 0.4818 0.7206 5 5 0.4311 0.5615 0.8375 6 6 0.4465 0.3349 0.6882 7 7 0.4845 0.5502 0.5116 8 8 0.7255 0.2552 0.5134 9 9 0.0423 0.4254 0.8294 10 10 0.831 0.2452 0.8698 11 11 0.0521 0.2018 0.605 12 1 0.5 0.6989 0.9771 13 2 0.8832 0.8495 0.838 14 3 0.5193 0.9825 0.8131 15 4 0.7179 0.9818 0.7794 16 5 0.4311 0.0615 0.6625 17 6 0.4465 0.8349 0.8118 18 7 0.4845 0.0502 0.9884 19 8 0.7255 0.7552 0.9866 20 9 0.0423 0.9254 0.6706 21 10 0.831 0.7452 0.6302 22 11 0.0521 0.7018 0.895 23 1 0.0 0.3011 0.0229 24 2 0.3832 0.1505 0.162 25 3 0.0193 0.0175 0.1869 26 4 0.2179 0.0182 0.2206 27 5 0.9311 0.9385 0.3375 28 6 0.9465 0.1651 0.1882 29 7 0.9845 0.9498 0.0116 30 8 0.2255 0.2448 0.0134 31 9 0.5423 0.0746 0.3294 32 10 0.331 0.2548 0.3698 33 11 0.5521 0.2982 0.105 34 1 0.0 0.8011 0.4771 35 2 0.3832 0.6505 0.338 36 3 0.0193 0.5175 0.3131 37 4 0.2179 0.5182 0.2794 38 5 0.9311 0.4385 0.1625 39 6 0.9465 0.6651 0.3118 40 7 0.9845 0.4498 0.4884 41 8 0.2255 0.7448 0.4866 42 9 0.5423 0.5746 0.1706 43 10 0.331 0.7548 0.1302 44 11 0.5521 0.7982 0.395 X-ray density (g/cm cub.) = 2.54 MU (1/cm) = 75.234 Mass attenuation coefficient (cm**2/g) = 29.58 Selected interatomic distances (cation-anion,anion-anion): NoP Atom Rad.sph. C.N. Distance NoP N. (angs.) (angs.) 1 Al 2.484 5 1.8725 6 1.8166 8 1.7875 5 1.935 9 1.8286 10 2 Al 2.484 6 1.8603 4 1.8948 8 1.9152 9 1.9244 10 1.9815 11 1.8194 7 3 P 2.4 4 1.5459 4 1.5392 5 1.5386 6 1.5146 7 4 O 3.432 9 2.4982 5 2.5367 6 2.4893 7 2.7108 8 2.6812 9 2.7074 10 3.3432 8 2.7879 10 2.7251 7 5 O 3.432 10 2.4982 4 2.4811 6 2.5242 7 3.2642 9 2.6649 6 3.1527 8 3.242 11 3.4017 11 2.6856 9 3.018 10 6 O 3.432 11 2.5367 4 2.4811 5 2.5049 7 2.6392 8 3.3998 9 3.3749 10 3.3522 11 2.6648 5 3.1317 8 2.702 10 3.3031 11 7 O 3.432 10 2.4893 4 2.5242 5 2.5049 6 3.41 8 3.3879 10 3.2847 10 2.7251 4 2.7494 8 2.6517 9 2.6195 11 8 OH 3.48 12 2.7108 4 2.6392 6 3.41 7 2.8407 10 2.6536 11 3.3432 4 3.1527 5 3.1317 6 2.6507 9 3.2202 10 3.4159 11 2.7494 7 9 OH 3.48 9 2.6812 4 3.2642 5 3.3998 6 2.4057 10 2.7669 11 2.7315 11 2.6507 8 2.6856 5 2.6517 7 10 OH 3.48 12 2.7074 4 3.3749 6 2.8407 8 2.4057 9 2.673 11 2.7879 4 3.3879 7 2.702 6 3.2847 7 3.2202 8 2.8411 11 3.018 5 11 H(2)O 3.6 12 3.3522 6 2.6536 8 2.7669 9 2.673 10 3.5939 4 3.242 5 2.7315 9 3.4017 5 3.3031 6 3.4159 8 2.8411 10 2.6195 7 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 1 1 7.373 14.747 0.083 118.48 4 27.9 113.8 2 1 0 1 8.181 16.363 0.092 95.82 4 58.8 409.7 3 0 2 0 9.128 18.256 0.103 76.54 2 4.7 1.1 4 1 1 1 9.376 18.753 0.106 72.42 8 38.0 257.8 5 1 2 0 10.82 21.64 0.122 53.85 4 70.5 330.6 6 0 2 1 10.836 21.673 0.122 53.68 4 61.1 248.0 7 2 0 0 11.579 23.159 0.13 46.75 2 147.5 627.9 8 0 0 2 11.641 23.282 0.131 46.24 2 26.3 19.8 9 1 2 1 12.305 24.61 0.138 41.16 8 65.4 434.6 10 0 1 2 12.522 25.043 0.141 39.68 4 61.8 187.2 11 2 1 1 13.783 27.566 0.155 32.4 8 15.0 18.1 12 1 1 2 13.822 27.644 0.155 32.2 8 52.3 218.0 13 2 2 0 14.824 29.647 0.166 27.74 4 52.6 94.8 14 0 2 2 14.873 29.745 0.167 27.54 4 93.0 294.0 15 0 3 1 14.979 29.958 0.168 27.13 4 41.9 58.9 16 2 2 1 15.963 31.926 0.179 23.66 8 28.6 47.9 17 1 2 2 15.998 31.995 0.179 23.55 8 26.2 39.9 18 1 3 1 16.097 32.194 0.18 23.23 8 18.5 19.7 19 2 0 2 16.536 33.071 0.185 21.92 4 20.2 11.1 20 2 1 2 17.185 34.37 0.192 20.16 8 48.3 116.1 21 0 3 2 18.179 36.359 0.203 17.83 4 18.9 7.8 22 0 1 3 18.233 36.466 0.203 17.71 4 29.3 18.7 23 0 4 0 18.499 36.997 0.206 17.16 2 76.9 62.7 24 3 0 1 18.514 37.028 0.206 17.12 4 71.0 106.6 25 1 0 3 18.595 37.189 0.207 16.96 4 30.9 20.1 26 2 2 2 19.016 38.033 0.212 16.14 8 36.4 52.9 27 2 3 1 19.102 38.204 0.212 15.98 8 64.0 161.6 28 3 1 1 19.105 38.21 0.212 15.98 8 26.8 28.3 29 1 3 2 19.131 38.263 0.213 15.93 8 30.5 36.7 30 1 1 3 19.183 38.366 0.213 15.83 8 25.8 26.0 31 1 4 0 19.437 38.875 0.216 15.38 4 25.2 12.1 32 0 4 1 19.447 38.894 0.216 15.36 4 7.1 0.9 33 3 2 0 19.897 39.793 0.221 14.6 4 26.4 12.6 34 0 2 3 19.982 39.963 0.222 14.47 4 36.0 23.1 35 1 4 1 20.349 40.697 0.226 13.89 8 46.8 75.3 36 3 2 1 20.791 41.582 0.23 13.24 8 12.6 5.2 37 1 2 3 20.864 41.728 0.231 13.14 8 31.2 31.6 38 2 3 2 21.776 43.553 0.241 11.93 8 53.5 84.4 39 3 1 2 21.779 43.558 0.241 11.93 8 60.8 108.9 40 2 1 3 21.823 43.645 0.241 11.88 8 6.9 1.4 41 2 4 0 22.052 44.103 0.244 11.6 4 37.7 20.4 42 0 4 2 22.087 44.173 0.244 11.56 4 16.0 3.7 43 0 3 3 22.644 45.288 0.25 10.93 4 46.5 29.2 44 2 4 1 22.878 45.755 0.252 10.68 8 57.8 88.0 45 1 4 2 22.903 45.806 0.253 10.65 8 19.9 10.5 46 3 2 2 23.306 46.612 0.257 10.24 8 38.5 37.5 47 2 2 3 23.348 46.696 0.257 10.2 8 24.2 14.8 48 3 3 1 23.379 46.758 0.258 10.17 8 30.2 22.9 49 1 3 3 23.445 46.891 0.258 10.1 8 77.5 149.7 50 4 0 0 23.669 47.338 0.261 9.89 2 82.4 41.4 51 0 0 4 23.8 47.601 0.262 9.76 2 3.3 0.1 52 0 5 1 24.157 48.313 0.266 9.44 4 14.3 2.4 53 0 1 4 24.285 48.57 0.267 9.33 4 8.3 0.8 54 1 5 1 24.92 49.841 0.274 8.79 8 17.7 6.8 55 4 1 1 24.927 49.854 0.274 8.79 8 11.4 2.8 56 1 1 4 25.046 50.092 0.275 8.69 8 46.7 46.8 57 2 4 2 25.228 50.457 0.277 8.55 8 19.0 7.6 58 3 0 3 25.272 50.544 0.277 8.52 4 12.8 1.7 59 4 2 0 25.573 51.146 0.28 8.29 4 32.0 10.5 60 3 3 2 25.695 51.39 0.281 8.2 8 11.7 2.8 61 0 2 4 25.697 51.394 0.281 8.2 4 9.9 1.0 62 2 3 3 25.734 51.468 0.282 8.17 8 66.3 88.9 63 3 1 3 25.736 51.472 0.282 8.17 8 17.9 6.5 64 3 4 0 25.938 51.876 0.284 8.03 4 14.9 2.2 65 0 4 3 26.008 52.015 0.285 7.98 4 13.6 1.8 66 4 2 1 26.314 52.628 0.288 7.77 8 11.1 2.4 67 0 5 2 26.422 52.844 0.289 7.7 4 33.5 10.6 68 1 2 4 26.428 52.857 0.289 7.69 8 12.9 3.1 69 3 4 1 26.672 53.345 0.291 7.53 8 21.1 8.3 70 4 0 2 26.699 53.398 0.292 7.52 4 34.8 11.2 71 1 4 3 26.733 53.465 0.292 7.49 8 14.7 4.0 72 2 0 4 26.79 53.579 0.293 7.46 4 33.3 10.2 73 3 2 3 27.093 54.186 0.296 7.27 8 19.6 6.9 74 2 5 1 27.117 54.234 0.296 7.25 8 26.9 13.0 75 1 5 2 27.139 54.279 0.296 7.24 8 27.0 13.0 76 4 1 2 27.146 54.291 0.296 7.24 8 25.0 11.1 77 2 1 4 27.235 54.47 0.297 7.18 8 38.2 25.9 78 0 3 4 27.936 55.872 0.304 6.78 4 43.8 16.1 79 0 6 0 28.419 56.839 0.309 6.52 2 33.5 4.5 80 4 2 2 28.456 56.913 0.309 6.5 8 59.9 57.7 81 4 3 1 28.519 57.039 0.31 6.47 8 63.2 63.9 82 2 2 4 28.543 57.086 0.31 6.46 8 16.9 4.6 83 1 3 4 28.628 57.255 0.311 6.42 8 24.8 9.8 84 3 4 2 28.796 57.593 0.313 6.33 8 24.5 9.4 85 2 4 3 28.832 57.665 0.313 6.31 8 20.9 6.8 86 1 6 0 29.104 58.207 0.316 6.18 4 11.9 1.1 87 0 6 1 29.111 58.221 0.316 6.18 4 7.6 0.4 88 2 5 2 29.219 58.439 0.317 6.13 8 36.6 20.3 89 3 3 3 29.259 58.518 0.317 6.11 8 60.3 54.9 90 1 6 1 29.785 59.569 0.322 5.87 8 36.1 18.9 91 0 5 3 29.927 59.854 0.324 5.81 4 74.1 39.4 92 3 5 1 30.535 61.069 0.33 5.55 8 35.8 17.6 93 4 3 2 30.559 61.119 0.33 5.54 8 27.5 10.3 94 1 5 3 30.59 61.18 0.33 5.53 8 74.7 76.2 95 4 1 3 30.596 61.192 0.33 5.53 8 9.2 1.2 96 2 3 4 30.642 61.285 0.331 5.51 8 21.3 6.1 97 3 1 4 30.644 61.288 0.331 5.51 8 49.9 33.9 98 0 1 5 30.706 61.413 0.331 5.48 4 49.6 16.6 99 4 4 0 30.777 61.553 0.332 5.45 4 74.1 37.0 100 5 0 1 30.787 61.575 0.332 5.45 4 60.7 24.8 101 0 4 4 30.887 61.774 0.333 5.41 4 29.5 5.8 102 1 0 5 30.952 61.905 0.334 5.39 4 36.0 8.6 103 2 6 0 31.099 62.198 0.335 5.33 4 40.7 10.9 104 0 6 2 31.126 62.253 0.336 5.32 4 42.2 11.7 105 5 1 1 31.196 62.391 0.336 5.29 8 49.4 31.9 106 1 1 5 31.36 62.719 0.338 5.23 8 47.4 29.1 107 4 4 1 31.436 62.872 0.339 5.2 8 59.0 44.8 108 1 4 4 31.538 63.076 0.34 5.17 8 29.1 10.8 109 2 6 1 31.754 63.509 0.342 5.09 8 27.4 9.4 110 5 2 0 31.755 63.51 0.342 5.09 4 14.2 1.3 111 1 6 2 31.775 63.55 0.342 5.08 8 48.1 29.1 112 4 2 3 31.816 63.632 0.342 5.07 8 17.7 3.9 113 3 2 4 31.863 63.727 0.343 5.05 8 37.1 17.2 114 0 2 5 31.924 63.848 0.343 5.03 4 42.2 11.0 115 3 4 3 32.134 64.269 0.345 4.96 8 8.1 0.8 116 5 2 1 32.403 64.806 0.348 4.87 8 39.7 19.0 117 3 5 2 32.498 64.996 0.349 4.84 8 14.3 2.4 118 2 5 3 32.531 65.063 0.349 4.83 8 56.7 38.4 119 1 2 5 32.564 65.127 0.349 4.82 8 40.0 19.0 120 5 1 2 33.137 66.274 0.355 4.64 8 46.9 25.2 121 2 1 5 33.276 66.552 0.356 4.6 8 21.4 5.2 122 4 4 2 33.37 66.739 0.357 4.58 8 18.1 3.7 123 2 4 4 33.449 66.898 0.358 4.55 8 3.6 0.1 124 2 6 2 33.678 67.357 0.36 4.49 8 10.1 1.1 125 4 3 3 33.795 67.591 0.361 4.45 8 41.8 19.2 126 3 3 4 33.841 67.683 0.361 4.44 8 10.2 1.1 127 0 3 5 33.9 67.801 0.362 4.43 4 25.4 3.5 128 3 6 0 34.275 68.55 0.366 4.33 4 35.0 6.6 129 5 2 2 34.308 68.616 0.366 4.32 8 40.9 17.8 130 0 6 3 34.334 68.667 0.366 4.31 4 39.8 8.4 131 0 7 1 34.356 68.712 0.366 4.3 4 55.1 16.1 132 5 3 1 34.365 68.73 0.366 4.3 8 31.7 10.7 133 2 2 5 34.445 68.89 0.367 4.28 8 29.7 9.3 134 0 5 4 34.459 68.918 0.367 4.28 4 13.1 0.9 135 1 3 5 34.521 69.042 0.368 4.26 8 13.8 2.0 136 4 0 4 34.696 69.392 0.369 4.22 4 72.5 27.4 137 3 6 1 34.899 69.798 0.371 4.17 8 35.8 13.2 138 1 6 3 34.951 69.901 0.372 4.16 8 20.9 4.5 139 1 7 1 34.973 69.946 0.372 4.15 8 7.7 0.6 140 4 5 1 34.978 69.956 0.372 4.15 8 17.3 3.1 141 1 5 4 35.075 70.15 0.373 4.13 8 36.7 13.7 142 4 1 4 35.08 70.161 0.373 4.13 8 39.8 16.2 143 3 5 3 35.641 71.283 0.378 4.0 8 10.8 1.2 144 5 0 3 35.875 71.75 0.38 3.95 4 23.7 2.7 145 3 0 5 35.977 71.954 0.381 3.92 4 21.8 2.3 146 0 7 2 36.212 72.423 0.383 3.88 4 56.0 15.0 147 5 3 2 36.22 72.441 0.384 3.87 8 31.7 9.6 148 4 2 4 36.222 72.444 0.384 3.87 8 27.2 7.1 149 5 1 3 36.254 72.508 0.384 3.87 8 22.3 4.7 150 2 3 5 36.354 72.708 0.385 3.85 8 28.9 7.9 151 3 1 5 36.356 72.711 0.385 3.85 8 37.9 13.6 152 5 4 0 36.42 72.84 0.385 3.83 4 27.6 3.6 153 4 4 3 36.477 72.954 0.386 3.82 8 9.9 0.9 154 3 4 4 36.522 73.043 0.386 3.81 8 27.3 7.0 155 0 4 5 36.579 73.157 0.387 3.8 4 27.2 3.5 156 3 6 2 36.743 73.485 0.388 3.77 8 34.7 11.2 157 2 6 3 36.774 73.548 0.389 3.76 8 22.4 4.7 158 2 7 1 36.796 73.592 0.389 3.76 8 41.3 15.8 159 1 7 2 36.815 73.63 0.389 3.75 8 6.4 0.4 160 4 5 2 36.82 73.64 0.389 3.75 8 34.1 10.8 161 2 5 4 36.896 73.792 0.39 3.74 8 22.9 4.8 162 6 0 0 37.026 74.051 0.391 3.72 2 69.3 11.0 163 5 4 1 37.029 74.057 0.391 3.71 8 30.0 8.3 164 1 4 5 37.18 74.36 0.392 3.69 8 18.1 3.0 165 0 0 6 37.252 74.505 0.393 3.67 2 102.0 23.6 166 5 2 3 37.381 74.762 0.394 3.65 8 22.9 4.7 167 3 2 5 37.482 74.963 0.395 3.63 8 10.6 1.0 168 0 1 6 37.626 75.252 0.396 3.61 4 31.0 4.3 169 6 1 1 38.003 76.005 0.4 3.54 8 11.3 1.1 170 4 3 4 38.095 76.189 0.4 3.53 8 17.9 2.8 171 1 1 6 38.221 76.442 0.402 3.51 8 26.9 6.3 172 4 6 0 38.508 77.016 0.404 3.46 4 13.4 0.8 173 6 2 0 38.515 77.03 0.404 3.46 4 8.1 0.3 174 2 7 2 38.604 77.208 0.405 3.45 8 28.4 6.9 175 0 6 4 38.608 77.215 0.405 3.45 4 4.7 0.1 176 0 2 6 38.739 77.478 0.406 3.43 4 6.7 0.2 177 5 4 2 38.833 77.666 0.407 3.41 8 15.9 2.1 178 2 4 5 38.963 77.927 0.408 3.39 8 28.1 6.6 179 4 6 1 39.105 78.21 0.409 3.37 8 29.3 7.2 180 6 2 1 39.112 78.224 0.409 3.37 8 25.6 5.5 181 1 6 4 39.198 78.396 0.41 3.36 8 39.0 12.6 182 0 7 3 39.226 78.451 0.41 3.36 4 63.1 16.5 183 5 3 3 39.234 78.468 0.411 3.36 8 34.4 9.8 184 1 2 6 39.329 78.657 0.411 3.34 8 42.4 14.8 185 3 3 5 39.333 78.666 0.411 3.34 8 13.6 1.5 186 0 8 0 39.388 78.775 0.412 3.34 2 8.1 0.1 187 6 0 2 39.426 78.852 0.412 3.33 4 33.9 4.7 188 2 0 6 39.624 79.247 0.414 3.3 4 66.0 17.8 189 3 6 3 39.743 79.486 0.415 3.29 8 12.4 1.2 190 3 7 1 39.764 79.528 0.415 3.28 8 28.6 6.6 191 6 1 2 39.793 79.586 0.415 3.28 8 25.8 5.4 192 1 7 3 39.814 79.627 0.416 3.28 8 24.5 4.9 193 4 5 3 39.819 79.637 0.416 3.28 8 46.2 17.3 194 3 5 4 39.862 79.723 0.416 3.27 8 31.2 7.9 195 0 5 5 39.917 79.834 0.417 3.27 4 30.4 3.7 196 1 8 0 39.975 79.95 0.417 3.26 4 30.2 3.7 197 0 8 1 39.981 79.962 0.417 3.26 4 57.7 13.4 198 2 1 6 39.99 79.98 0.417 3.26 8 12.0 1.2 199 5 5 1 40.355 80.71 0.42 3.21 8 30.2 7.2 200 5 1 4 40.452 80.905 0.421 3.2 8 51.0 20.6 201 1 5 5 40.502 81.005 0.422 3.19 8 19.8 3.1 202 4 1 5 40.508 81.015 0.422 3.19 8 24.8 4.9 203 1 8 1 40.566 81.132 0.422 3.19 8 27.7 6.0 204 0 3 6 40.573 81.147 0.422 3.19 4 19.0 1.4 205 4 4 4 40.668 81.336 0.423 3.17 8 27.2 5.8 206 4 6 2 40.882 81.764 0.425 3.15 8 19.6 3.0 207 6 2 2 40.889 81.778 0.425 3.15 8 39.3 12.0 208 6 3 1 40.942 81.885 0.425 3.14 8 36.1 10.1 209 2 6 4 40.956 81.911 0.425 3.14 8 5.6 0.2 210 2 2 6 41.085 82.17 0.427 3.13 8 38.1 11.2 211 1 3 6 41.157 82.313 0.427 3.12 8 36.8 10.4 212 3 7 2 41.534 83.069 0.43 3.08 8 20.7 3.3 213 5 2 4 41.544 83.089 0.43 3.08 8 28.6 6.2 214 2 7 3 41.565 83.13 0.431 3.08 8 30.6 7.1 215 4 2 5 41.599 83.199 0.431 3.08 8 5.9 0.3 216 2 8 0 41.725 83.449 0.432 3.06 4 50.7 9.7 217 0 8 2 41.749 83.498 0.432 3.06 4 29.1 3.2 218 5 4 3 41.79 83.579 0.433 3.06 8 22.0 3.7 219 3 4 5 41.887 83.775 0.433 3.05 8 6.4 0.3 220 5 5 2 42.12 84.24 0.435 3.03 8 9.1 0.6 221 2 5 5 42.248 84.496 0.436 3.02 8 16.6 2.0 222 2 8 1 42.311 84.622 0.437 3.01 8 26.5 5.2 223 1 8 2 42.329 84.659 0.437 3.01 8 20.2 3.0 224 6 3 2 42.703 85.406 0.44 2.98 8 8.1 0.5 225 6 1 3 42.735 85.47 0.44 2.97 8 35.2 9.1 226 6 4 0 42.894 85.788 0.442 2.96 4 37.9 5.3 227 2 3 6 42.898 85.795 0.442 2.96 8 13.5 1.3 228 3 1 6 42.899 85.798 0.442 2.96 8 13.4 1.3 229 0 4 6 43.113 86.226 0.444 2.95 4 4.0 0.1 230 0 7 4 43.346 86.692 0.446 2.93 4 37.1 5.0 231 5 3 4 43.354 86.709 0.446 2.93 8 43.8 13.8 232 4 3 5 43.409 86.818 0.446 2.92 8 48.1 16.7 233 6 4 1 43.479 86.957 0.447 2.92 8 31.0 6.9 234 1 4 6 43.691 87.382 0.448 2.9 8 9.8 0.7 235 5 6 0 43.757 87.514 0.449 2.9 4 40.8 6.0 236 4 6 3 43.812 87.624 0.449 2.9 8 20.6 3.0 237 6 2 3 43.819 87.637 0.449 2.9 8 5.6 0.2 238 4 7 1 43.833 87.666 0.45 2.9 8 12.9 1.2 239 3 6 4 43.854 87.709 0.45 2.89 8 25.4 4.6 240 0 6 5 43.909 87.818 0.45 2.89 4 0.7 0.0 241 1 7 4 43.924 87.848 0.45 2.89 8 13.8 1.4 242 4 5 4 43.929 87.858 0.45 2.89 8 27.8 5.5 243 3 2 6 43.982 87.965 0.451 2.89 8 13.9 1.4 244 2 8 2 44.064 88.129 0.451 2.88 8 33.2 7.9 245 5 6 1 44.341 88.681 0.454 2.86 8 45.6 14.7 246 3 7 3 44.459 88.917 0.455 2.86 8 21.4 3.2 247 1 6 5 44.486 88.973 0.455 2.86 8 8.7 0.5 248 3 8 0 44.617 89.235 0.456 2.85 4 46.0 7.4 249 0 8 3 44.672 89.344 0.456 2.85 4 4.4 0.1 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 1 1 7.373 14.747 6.00206 113.8 18.1 18.2 5.6 2 1 0 1 8.181 16.363 5.41285 409.7 65.2 65.6 5.6 3 1 1 1 9.376 18.753 4.72799 257.8 41.1 41.2 5.6 4 1 2 0 10.82 21.64 4.10331 578.5 92.1 92.2 5.6 5 2 0 0 11.579 23.159 3.8375 627.9 100.0 100.0 5.6 6 0 0 2 11.641 23.282 3.8175 19.8 3.2 3.2 5.6 7 1 2 1 12.305 24.61 3.61439 434.6 69.2 69.1 5.6 8 0 1 2 12.522 25.043 3.55284 187.2 29.8 29.8 5.6 9 2 1 1 13.783 27.566 3.23315 18.1 2.9 2.9 5.6 10 1 1 2 13.822 27.644 3.22415 218.0 34.7 34.6 5.6 11 2 2 0 14.824 29.647 3.01072 94.8 15.1 15.0 5.6 12 0 2 2 14.873 29.745 3.00103 294.0 46.8 46.6 5.6 13 0 3 1 14.979 29.958 2.98022 58.9 9.4 9.3 5.6 14 2 2 1 15.963 31.926 2.80082 47.9 7.6 7.6 5.6 15 1 2 2 15.998 31.995 2.79496 39.9 6.4 6.3 5.6 16 1 3 1 16.097 32.194 2.77813 19.7 3.1 3.1 5.6 17 2 0 2 16.536 33.071 2.70642 11.1 1.8 1.8 5.6 18 2 1 2 17.185 34.37 2.60707 116.1 18.5 18.3 5.7 19 0 3 2 18.179 36.359 2.46891 7.8 1.2 1.2 5.7 20 0 1 3 18.233 36.466 2.46186 18.7 3.0 2.9 5.7 21 3 0 1 18.514 37.028 2.42577 169.2 27.0 26.6 5.7 22 1 0 3 18.595 37.189 2.41565 20.1 3.2 3.2 5.7 23 2 2 2 19.016 38.033 2.36399 52.9 8.4 8.3 5.7 24 2 3 1 19.102 38.204 2.35378 189.9 30.3 29.9 5.7 25 1 3 2 19.131 38.263 2.3503 36.7 5.8 5.8 5.7 26 1 1 3 19.183 38.366 2.34422 26.0 4.1 4.1 5.7 27 1 4 0 19.437 38.875 2.31471 13.0 2.1 2.0 5.7 28 3 2 0 19.897 39.793 2.26338 12.6 2.0 2.0 5.7 29 0 2 3 19.982 39.963 2.25413 23.1 3.7 3.6 5.7 30 1 4 1 20.349 40.697 2.21515 75.3 12.0 11.8 5.7 31 1 2 3 20.864 41.728 2.16278 31.6 5.0 5.0 5.7 32 3 1 2 21.779 43.558 2.07609 193.3 30.8 30.2 5.7 33 2 4 0 22.052 44.103 2.05165 20.4 3.2 3.2 5.7 34 0 3 3 22.644 45.288 2.00069 29.2 4.7 4.6 5.7 35 2 4 1 22.878 45.755 1.98136 98.5 15.7 15.4 5.7 36 3 2 2 23.306 46.612 1.94691 37.5 6.0 5.8 5.7 37 2 2 3 23.348 46.696 1.94362 14.8 2.4 2.3 5.7 38 3 3 1 23.379 46.758 1.94119 22.9 3.7 3.6 5.7 39 1 3 3 23.445 46.891 1.93599 149.7 23.8 23.3 5.7 40 4 0 0 23.669 47.338 1.91875 41.4 6.6 6.5 5.7 41 1 5 1 24.92 49.841 1.82808 9.6 1.5 1.5 5.7 42 1 1 4 25.046 50.092 1.81952 46.8 7.4 7.3 5.7 43 2 4 2 25.228 50.457 1.8072 7.6 1.2 1.2 5.8 44 4 2 0 25.573 51.146 1.78447 10.5 1.7 1.6 5.8 45 2 3 3 25.734 51.468 1.77406 95.3 15.2 14.8 5.8 46 0 5 2 26.422 52.844 1.73105 13.8 2.2 2.1 5.8 47 4 0 2 26.699 53.398 1.71438 19.5 3.1 3.0 5.8 48 2 0 4 26.79 53.579 1.70902 10.2 1.6 1.6 5.8 49 1 5 2 27.139 54.279 1.68863 44.0 7.0 6.8 5.8 50 2 1 4 27.235 54.47 1.68315 25.9 4.1 4.0 5.8 51 0 3 4 27.936 55.872 1.64419 16.1 2.6 2.5 5.8 52 4 2 2 28.456 56.913 1.61658 57.7 9.2 8.9 5.8 53 4 3 1 28.519 57.039 1.6133 68.5 10.9 10.5 5.8 54 1 3 4 28.628 57.255 1.60771 9.8 1.6 1.5 5.8 55 3 4 2 28.796 57.593 1.59909 9.4 1.5 1.4 5.8 56 2 4 3 28.832 57.665 1.59727 6.8 1.1 1.0 5.8 57 2 5 2 29.219 58.439 1.57794 20.3 3.2 3.1 5.8 58 3 3 3 29.259 58.518 1.576 54.9 8.7 8.4 5.8 59 1 6 1 29.785 59.569 1.55066 18.9 3.0 2.9 5.8 60 0 5 3 29.927 59.854 1.54397 39.4 6.3 6.0 5.8 61 3 5 1 30.535 61.069 1.51612 27.9 4.4 4.3 5.8 62 1 5 3 30.59 61.18 1.51364 77.3 12.3 11.8 5.8 63 3 1 4 30.644 61.288 1.51123 40.0 6.4 6.1 5.8 64 0 1 5 30.706 61.413 1.50847 16.6 2.7 2.5 5.8 65 4 4 0 30.777 61.553 1.50536 61.7 9.8 9.4 5.8 66 1 0 5 30.952 61.905 1.49765 8.6 1.4 1.3 5.8 67 0 6 2 31.126 62.253 1.49011 22.6 3.6 3.4 5.8 68 5 1 1 31.196 62.391 1.48714 31.9 5.1 4.9 5.8 69 1 1 5 31.36 62.719 1.48015 29.1 4.6 4.4 5.8 70 4 4 1 31.436 62.872 1.47693 44.8 7.1 6.8 5.9 71 1 4 4 31.538 63.076 1.47263 10.8 1.7 1.6 5.9 72 1 6 2 31.775 63.55 1.46279 39.7 6.3 6.1 5.9 73 3 2 4 31.863 63.727 1.45915 17.2 2.7 2.6 5.9 74 0 2 5 31.924 63.848 1.45666 11.0 1.8 1.7 5.9 75 5 2 1 32.403 64.806 1.43743 19.0 3.0 2.9 5.9 76 2 5 3 32.531 65.063 1.43238 38.4 6.1 5.8 5.9 77 1 2 5 32.564 65.127 1.43112 19.0 3.0 2.9 5.9 78 5 1 2 33.137 66.274 1.40911 25.2 4.0 3.8 5.9 79 4 3 3 33.795 67.591 1.38482 19.2 3.1 2.9 5.9 80 3 6 0 34.275 68.55 1.36777 6.6 1.0 1.0 5.9 81 5 2 2 34.308 68.616 1.36661 26.3 4.2 4.0 5.9 82 0 7 1 34.356 68.712 1.36494 26.8 4.3 4.0 5.9 83 2 2 5 34.445 68.89 1.36185 10.2 1.6 1.5 5.9 84 4 0 4 34.696 69.392 1.35321 27.4 4.4 4.1 5.9 85 3 6 1 34.899 69.798 1.34634 13.2 2.1 2.0 5.9 86 1 6 3 34.951 69.901 1.3446 8.2 1.3 1.2 5.9 87 4 1 4 35.08 70.161 1.34026 29.9 4.8 4.5 5.9 88 0 7 2 36.212 72.423 1.30386 31.7 5.0 4.8 5.9 89 3 1 5 36.356 72.711 1.29941 21.5 3.4 3.2 6.0 90 3 4 4 36.522 73.043 1.29431 7.0 1.1 1.1 6.0 91 3 6 2 36.743 73.485 1.28762 11.2 1.8 1.7 6.0 92 2 7 1 36.796 73.592 1.28601 31.3 5.0 4.7 6.0 93 6 0 0 37.026 74.051 1.27917 19.3 3.1 2.9 6.0 94 0 0 6 37.252 74.505 1.2725 23.6 3.8 3.5 6.0 95 2 7 2 38.604 77.208 1.23455 7.0 1.1 1.0 6.0 96 2 4 5 38.963 77.927 1.22496 6.6 1.1 1.0 6.0 97 4 6 1 39.105 78.21 1.22122 12.6 2.0 1.9 6.0 98 0 7 3 39.226 78.451 1.21807 38.9 6.2 5.8 6.0 99 1 2 6 39.329 78.657 1.2154 16.4 2.6 2.4 6.0 100 2 0 6 39.624 79.247 1.20783 17.8 2.8 2.6 6.0 101 3 7 1 39.764 79.528 1.20426 7.9 1.3 1.2 6.0 102 4 5 3 39.819 79.637 1.20289 27.5 4.4 4.1 6.0 103 3 5 4 39.862 79.723 1.2018 7.9 1.3 1.2 6.0 104 0 8 1 39.981 79.962 1.19882 18.2 2.9 2.7 6.0 105 5 5 1 40.355 80.71 1.18958 7.2 1.2 1.1 6.1 106 5 1 4 40.452 80.905 1.18721 20.6 3.3 3.0 6.1 107 4 1 5 40.508 81.015 1.18587 7.9 1.3 1.2 6.1 108 1 8 1 40.566 81.132 1.18446 7.4 1.2 1.1 6.1 109 6 2 2 40.889 81.778 1.17673 15.0 2.4 2.2 6.1 110 6 3 1 40.942 81.885 1.17546 10.4 1.6 1.5 6.1 111 2 2 6 41.085 82.17 1.17211 11.2 1.8 1.7 6.1 112 1 3 6 41.157 82.313 1.17043 10.4 1.7 1.5 6.1 113 5 2 4 41.544 83.089 1.16146 16.6 2.6 2.4 6.1 114 2 8 0 41.725 83.449 1.15735 12.9 2.1 1.9 6.1 115 2 8 1 42.311 84.622 1.14428 8.2 1.3 1.2 6.1 116 6 1 3 42.735 85.47 1.13509 9.1 1.5 1.3 6.1 117 6 4 0 42.894 85.788 1.13169 7.9 1.3 1.2 6.1 118 5 3 4 43.354 86.709 1.12203 18.8 3.0 2.7 6.1 119 4 3 5 43.409 86.818 1.12089 16.7 2.7 2.4 6.1 120 6 4 1 43.479 86.957 1.11946 6.9 1.1 1.0 6.1 121 4 5 4 43.929 87.858 1.11029 6.9 1.1 1.0 6.2 122 2 8 2 44.064 88.129 1.10757 7.9 1.3 1.1 6.2 123 5 6 1 44.341 88.681 1.10209 14.7 2.3 2.1 6.2 124 3 8 0 44.617 89.235 1.09669 7.4 1.2 1.1 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) |