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 *** *********************** POITEVINITE 3, syn, f-gunningite Cu(0.48)Fe(0.52)SO(4).H(2)O Triclinic P 1(-) Z = 4 P1(-) 12 .8 .1905 Ref.Str.: Giester G., Lengauer C.L., Redhammer G.J. (1994) * Can. Mineral., 32, 873-884 Reserv: N.A.D. Initial data from BDM-file Lattice parameters (cub. angs.,degr.): a = 5.12 alpha = 107.4 b = 5.16 beta = 107.4 c = 7.535 gamma = 92.73 Unit cell volume (cub. angs.) = 179.2 Molar volume ( cub.cm/mol.) = 26.98 Co-ordinates, thermal parameters, occupation for atomic positions: NoP x/a y/b z/c B(j) atom / occupation 1 0.0 0.0 0.0 1.1 Fe = 0.52, Cu = 0.48 2 0.5 0.5 0.5 1.1 Fe = 0.52, Cu = 0.48 3 0.593 0.918 0.248 0.7 S = 1.00 4 0.727 0.83 0.098 1.1 O = 1.00 5 0.287 0.828 0.154 1.3 O = 1.00 6 0.644 0.222 0.331 0.9 O = 1.00 7 0.694 0.797 0.404 1.6 O = 1.00 8 0.114 0.407 0.265 1.0 H(2)O = 1.00 Co-ordinates for all atomic positions : No NoP x/a y/b z/c 1 1 0.0 0.0 0.0 2 2 0.5 0.5 0.5 3 3 0.593 0.918 0.248 4 4 0.727 0.83 0.098 5 5 0.287 0.828 0.154 6 6 0.644 0.222 0.331 7 7 0.694 0.797 0.404 8 8 0.114 0.407 0.265 9 3 0.407 0.082 0.752 10 4 0.273 0.17 0.902 11 5 0.713 0.172 0.846 12 6 0.356 0.778 0.669 13 7 0.306 0.203 0.596 14 8 0.886 0.593 0.735 X-ray density (g/cm cub.) = 3.22 MU (1/cm) = 182.344 Mass attenuation coefficient (cm**2/g) = 56.691 Selected interatomic distances (cation-anion,anion-anion): NoP Atom Rad.sph. C.N. Distance NoP N. (angs.) (angs.) 1 Fe ,Cu 2.976 6 2.0387 4 2.0035 5 2.3273 8 2.0387 4 2.0035 5 2.3273 8 2 Fe ,Cu 2.976 6 1.9475 6 2.1923 7 2.1401 8 1.9475 6 2.1923 7 2.1401 8 3 S 2.148 4 1.4632 4 1.4974 5 1.4821 6 1.4646 7 4 O 3.432 11 2.7714 5 2.4129 5 2.3997 6 2.4164 7 3.1749 8 3.292 8 3.2476 4 2.9427 5 3.3434 5 3.1448 6 3.0109 8 5 O 3.432 10 2.4129 4 2.7714 4 2.4123 6 2.4043 7 3.1001 8 2.7477 8 2.9427 4 3.3434 4 3.2832 7 3.0413 8 6 O 3.432 10 2.3997 4 2.4123 5 2.8352 7 2.4224 7 2.7803 8 2.8715 8 3.1448 4 3.4038 7 3.0264 7 2.9154 8 7 O 3.432 12 2.4164 4 2.4043 5 2.4224 6 2.8352 6 3.2046 8 3.2055 8 3.2832 5 3.4038 6 3.0264 6 3.3393 7 3.2758 7 2.915 8 8 H(2)O 3.6 12 3.292 4 3.1749 4 2.7477 5 3.1001 5 2.8715 6 2.7803 6 3.2055 7 3.2046 7 3.0109 4 3.0413 5 2.9154 6 2.915 7 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 0 0 1 7.569 15.138 0.074 112.32 2 0.1 0.0 2 0 1 0 10.588 21.177 0.103 56.33 2 32.6 373.6 3 1 0 0 10.672 21.344 0.104 55.41 2 31.6 343.6 4 0 -1 1 10.814 21.629 0.105 53.91 2 37.6 475.4 5 -1 0 1 10.877 21.754 0.105 53.26 2 33.6 374.4 6 -1 1 0 13.913 27.826 0.134 31.76 2 29.4 171.1 7 -1 -1 1 14.62 29.239 0.141 28.57 2 4.3 3.3 8 0 1 1 15.004 30.008 0.145 27.03 2 69.8 821.1 9 1 0 1 15.079 30.158 0.145 26.74 2 68.5 782.1 10 0 0 2 15.274 30.548 0.147 26.02 2 7.2 8.3 11 0 -1 2 15.492 30.984 0.149 25.24 2 33.1 172.0 12 -1 0 2 15.523 31.046 0.15 25.13 2 31.5 155.4 13 -1 1 1 15.899 31.797 0.153 23.87 2 36.0 192.1 14 1 -1 1 15.926 31.851 0.153 23.78 2 33.5 165.9 15 1 1 0 16.25 32.499 0.156 22.76 2 3.6 1.8 16 -1 -1 2 16.828 33.656 0.162 21.1 2 77.1 782.0 17 0 -2 1 20.32 40.639 0.194 13.94 2 37.9 124.5 18 -2 0 1 20.484 40.967 0.196 13.69 2 35.9 110.0 19 -1 1 2 20.874 41.749 0.199 13.12 2 70.0 400.9 20 1 -1 2 20.917 41.834 0.2 13.06 2 71.0 410.2 21 1 1 1 20.929 41.857 0.2 13.05 2 8.2 5.5 22 0 1 2 21.555 43.111 0.205 12.21 2 8.6 5.6 23 0 2 0 21.562 43.123 0.205 12.2 2 27.9 59.0 24 1 0 2 21.621 43.241 0.206 12.13 2 1.8 0.2 25 2 0 0 21.739 43.477 0.207 11.98 2 22.7 38.6 26 -1 -1 3 21.858 43.716 0.208 11.83 2 0.6 0.0 27 0 -2 2 22.04 44.08 0.21 11.62 2 17.3 21.6 28 0 -1 3 22.152 44.304 0.211 11.48 2 19.8 28.2 29 -1 0 3 22.165 44.33 0.211 11.47 2 29.3 61.4 30 -2 0 2 22.173 44.346 0.211 11.46 2 13.6 13.2 31 -1 2 0 22.695 45.391 0.216 10.87 2 11.4 8.8 32 1 -2 1 22.821 45.642 0.217 10.74 2 40.7 110.7 33 -2 1 0 22.823 45.646 0.217 10.74 2 4.4 1.3 34 -2 1 1 22.918 45.836 0.218 10.63 2 37.3 92.2 35 0 0 3 23.276 46.551 0.221 10.27 2 2.1 0.3 36 -1 -2 1 23.526 47.052 0.223 10.02 2 52.5 172.0 37 -2 -1 1 23.64 47.281 0.224 9.91 2 57.3 202.8 38 -1 -2 2 23.853 47.705 0.226 9.71 2 10.7 6.9 39 -2 -1 2 23.956 47.912 0.227 9.62 2 7.3 3.2 40 -1 2 1 25.253 50.506 0.238 8.53 2 33.5 59.5 41 2 -1 1 25.398 50.797 0.24 8.42 2 36.3 69.0 42 0 2 1 25.418 50.836 0.24 8.41 2 39.5 81.5 43 2 0 1 25.592 51.185 0.241 8.28 2 41.6 89.4 44 1 -2 2 25.599 51.199 0.242 8.27 2 25.5 33.4 45 -2 1 2 25.661 51.323 0.242 8.23 2 22.3 25.5 46 1 2 0 25.83 51.66 0.244 8.1 2 1.8 0.2 47 2 1 0 25.946 51.892 0.245 8.02 2 5.9 1.7 48 0 -2 3 26.259 52.518 0.247 7.81 2 6.9 2.3 49 -2 0 3 26.358 52.716 0.248 7.74 2 13.1 8.3 50 -1 -2 3 26.738 53.476 0.251 7.49 2 51.7 124.9 51 -2 -1 3 26.825 53.649 0.252 7.44 2 48.7 109.7 52 1 1 2 27.386 54.773 0.257 7.09 2 47.2 98.5 53 -1 1 3 27.526 55.053 0.258 7.01 2 14.7 9.4 54 1 -1 3 27.578 55.157 0.259 6.98 2 15.4 10.3 55 -1 -1 4 28.53 57.06 0.267 6.46 2 5.3 1.2 56 -2 2 0 28.744 57.488 0.269 6.36 2 36.5 52.9 57 0 1 3 29.175 58.351 0.273 6.15 2 44.4 75.4 58 1 0 3 29.236 58.472 0.273 6.12 2 44.6 75.8 59 0 -1 4 29.849 59.697 0.278 5.84 2 15.5 8.7 60 -1 0 4 29.851 59.702 0.278 5.84 2 11.2 4.6 61 -2 2 1 29.891 59.783 0.279 5.82 2 3.0 0.3 62 2 -2 1 29.924 59.849 0.279 5.81 2 1.6 0.1 63 -1 2 2 29.989 59.978 0.279 5.78 2 8.1 2.4 64 2 -1 2 30.143 60.287 0.281 5.71 2 0.3 0.0 65 -2 -2 2 30.318 60.637 0.282 5.64 2 36.3 46.2 66 1 2 1 30.333 60.665 0.282 5.63 2 20.8 15.2 67 2 1 1 30.445 60.89 0.283 5.59 2 17.7 10.9 68 1 -2 3 30.504 61.008 0.284 5.56 2 27.3 25.8 69 -2 1 3 30.535 61.069 0.284 5.55 2 23.7 19.3 70 -2 -2 1 31.091 62.182 0.289 5.33 2 5.4 1.0 71 0 2 2 31.184 62.367 0.289 5.3 2 35.9 42.6 72 2 0 2 31.352 62.705 0.291 5.24 2 40.6 53.6 73 0 -3 1 31.532 63.063 0.292 5.17 2 20.2 13.2 74 -1 -2 4 31.693 63.386 0.294 5.11 2 9.3 2.8 75 -2 -1 4 31.763 63.526 0.294 5.09 2 10.3 3.4 76 0 0 4 31.794 63.589 0.295 5.08 2 40.1 50.8 77 -2 -2 3 31.8 63.6 0.295 5.07 2 1.6 0.1 78 0 -3 2 31.809 63.617 0.295 5.07 2 0.9 0.0 79 -3 0 1 31.813 63.627 0.295 5.07 2 21.2 14.3 80 -3 0 2 32.065 64.13 0.297 4.98 2 2.2 0.1 81 0 -2 4 32.29 64.579 0.299 4.91 2 64.3 126.5 82 -2 0 4 32.361 64.722 0.299 4.89 2 67.6 139.1 83 1 -3 1 32.778 65.556 0.303 4.75 2 17.1 8.6 84 -3 1 1 33.013 66.026 0.305 4.68 2 11.5 3.9 85 -2 2 2 33.221 66.442 0.306 4.62 2 49.4 70.3 86 2 -2 2 33.283 66.566 0.307 4.6 2 46.9 63.1 87 0 3 0 33.453 66.906 0.308 4.55 2 21.4 13.0 88 -1 3 0 33.675 67.349 0.31 4.49 2 57.3 91.6 89 3 0 0 33.749 67.498 0.311 4.47 2 19.0 10.1 90 -1 -3 2 33.881 67.762 0.312 4.43 2 41.9 48.4 91 -3 1 0 33.937 67.874 0.312 4.42 2 51.3 72.4 92 2 2 0 34.032 68.063 0.313 4.39 2 70.0 134.1 93 1 -3 2 34.046 68.093 0.313 4.39 2 19.5 10.4 94 -3 -1 2 34.112 68.224 0.313 4.37 2 37.7 38.7 95 -3 1 2 34.246 68.493 0.315 4.33 2 21.0 11.9 96 0 -3 3 34.255 68.51 0.315 4.33 2 53.4 76.9 97 -3 0 3 34.479 68.959 0.316 4.27 2 54.7 79.5 98 -1 -3 1 34.603 69.205 0.317 4.24 2 23.9 15.1 99 -3 -1 1 34.847 69.693 0.319 4.18 2 26.4 18.2 100 1 1 3 35.079 70.158 0.321 4.13 2 2.6 0.2 101 -1 -3 3 35.29 70.58 0.323 4.08 2 14.3 5.2 102 -1 1 4 35.36 70.72 0.323 4.06 2 24.5 15.2 103 -2 -2 4 35.38 70.761 0.324 4.06 2 40.4 41.2 104 1 -1 4 35.421 70.841 0.324 4.05 2 24.3 14.9 105 -3 -1 3 35.502 71.004 0.325 4.03 2 22.0 12.1 106 -1 -1 5 36.41 72.821 0.332 3.83 2 2.0 0.1 107 -1 2 3 36.413 72.827 0.332 3.83 2 53.1 67.4 108 1 2 2 36.568 73.136 0.333 3.8 2 7.2 1.2 109 2 -1 3 36.576 73.151 0.333 3.8 2 59.7 84.4 110 -1 3 1 36.66 73.32 0.334 3.78 2 16.5 6.4 111 2 1 2 36.678 73.356 0.334 3.78 2 8.2 1.6 112 3 -1 1 36.943 73.886 0.336 3.73 2 14.6 5.0 113 1 -2 4 37.068 74.135 0.337 3.71 2 18.1 7.6 114 -2 1 4 37.073 74.147 0.337 3.71 2 8.6 1.7 115 1 -3 3 37.376 74.752 0.339 3.65 2 22.4 11.4 116 1 3 0 37.4 74.8 0.34 3.65 2 25.4 14.7 117 0 3 1 37.403 74.806 0.34 3.65 2 40.8 37.8 118 -3 1 3 37.539 75.078 0.341 3.62 2 20.1 9.1 119 3 1 0 37.651 75.302 0.341 3.6 2 39.4 34.9 120 3 0 1 37.708 75.416 0.342 3.59 2 41.5 38.6 121 0 1 4 37.761 75.522 0.342 3.58 2 8.9 1.8 122 1 0 4 37.822 75.644 0.343 3.57 2 3.2 0.2 123 -2 3 0 38.033 76.066 0.344 3.54 2 4.7 0.5 124 2 -3 1 38.132 76.265 0.345 3.52 2 32.2 22.7 125 -3 2 0 38.189 76.378 0.346 3.51 2 8.3 1.5 126 -3 2 1 38.252 76.504 0.346 3.5 2 35.3 27.2 127 -1 -2 5 38.31 76.621 0.347 3.49 2 34.3 25.7 128 -2 -1 5 38.367 76.735 0.347 3.48 2 44.5 43.0 129 -2 2 3 38.449 76.898 0.348 3.47 2 29.9 19.4 130 0 2 3 38.449 76.899 0.348 3.47 2 11.8 3.0 131 -1 0 5 38.52 77.04 0.348 3.46 2 22.5 10.9 132 0 -1 5 38.525 77.05 0.348 3.46 2 28.3 17.3 133 2 -2 3 38.537 77.074 0.348 3.46 2 24.3 12.7 134 2 0 3 38.618 77.236 0.349 3.45 2 19.9 8.5 135 0 -3 4 38.678 77.356 0.349 3.44 2 10.9 2.6 136 -1 -3 4 38.73 77.46 0.35 3.43 2 28.3 17.1 137 -3 0 4 38.87 77.74 0.351 3.41 2 6.5 0.9 138 2 2 1 38.906 77.813 0.351 3.4 2 5.6 0.7 139 -3 -1 4 38.92 77.84 0.351 3.4 2 28.7 17.5 140 0 -2 5 39.797 79.595 0.358 3.28 2 14.7 4.4 141 -2 0 5 39.848 79.697 0.358 3.27 2 19.1 7.4 142 -2 -3 2 39.95 79.9 0.359 3.26 2 5.2 0.5 143 -2 3 1 39.967 79.934 0.359 3.26 2 40.2 32.8 144 -3 -2 2 40.089 80.179 0.36 3.24 2 7.1 1.0 145 3 -2 1 40.157 80.314 0.36 3.24 2 37.2 27.8 146 2 -3 2 40.261 80.522 0.361 3.22 2 6.9 1.0 147 -3 2 2 40.343 80.686 0.362 3.21 2 6.0 0.7 148 -2 -3 3 40.354 80.708 0.362 3.21 2 25.5 13.0 149 -3 -2 3 40.486 80.972 0.363 3.2 2 27.7 15.2 150 -2 -2 5 40.831 81.663 0.365 3.16 2 2.7 0.1 151 0 0 5 41.192 82.385 0.368 3.12 2 4.7 0.4 152 -2 -3 1 41.558 83.116 0.371 3.08 2 27.3 14.3 153 -1 3 2 41.567 83.135 0.371 3.08 2 11.0 2.3 154 -3 -2 1 41.703 83.407 0.372 3.07 2 25.9 12.8 155 3 -1 2 41.869 83.738 0.373 3.05 2 7.7 1.1 156 1 3 1 42.132 84.263 0.375 3.03 2 22.8 9.8 157 3 1 1 42.39 84.779 0.377 3.0 2 19.8 7.4 158 1 -3 4 42.605 85.21 0.378 2.99 2 36.6 24.9 159 -3 1 4 42.734 85.469 0.379 2.97 2 37.6 26.3 160 -2 -3 4 42.758 85.516 0.38 2.97 2 1.7 0.1 161 -3 -2 4 42.882 85.763 0.38 2.96 2 3.2 0.2 162 0 3 2 43.208 86.415 0.383 2.94 2 1.7 0.1 163 3 0 2 43.524 87.048 0.385 2.92 2 0.5 0.0 164 -2 3 2 43.872 87.744 0.387 2.89 2 16.6 5.0 165 0 -4 2 43.988 87.977 0.388 2.89 2 46.1 38.2 166 1 1 4 44.064 88.129 0.389 2.88 2 20.4 7.5 167 -1 -3 5 44.073 88.145 0.389 2.88 2 22.3 8.9 168 3 -2 2 44.095 88.19 0.389 2.88 2 12.7 2.9 169 -3 -1 5 44.244 88.489 0.39 2.87 2 21.6 8.3 170 2 -3 3 44.356 88.711 0.391 2.86 2 29.3 15.3 171 -3 2 3 44.401 88.801 0.391 2.86 2 27.3 13.3 172 1 2 3 44.401 88.802 0.391 2.86 2 28.3 14.2 173 -1 2 4 44.404 88.808 0.391 2.86 2 3.4 0.2 174 -4 0 2 44.417 88.834 0.391 2.86 2 54.7 53.3 175 -1 1 5 44.481 88.961 0.392 2.86 2 19.2 6.5 176 2 1 3 44.514 89.027 0.392 2.85 2 21.9 8.6 177 1 -1 5 44.552 89.103 0.392 2.85 2 23.1 9.4 178 2 -1 4 44.581 89.161 0.392 2.85 2 2.0 0.1 179 0 -4 1 44.653 89.305 0.393 2.85 2 16.4 4.8 180 0 -3 5 44.941 89.881 0.395 2.83 2 24.8 10.9 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 0 1 0 10.588 21.177 4.86779 373.6 45.5 45.8 5.6 2 1 0 0 10.672 21.344 4.83005 343.6 41.9 42.1 5.6 3 0 -1 1 10.814 21.629 4.76724 475.4 57.9 58.3 5.6 4 -1 0 1 10.877 21.754 4.74003 374.4 45.6 45.9 5.6 5 -1 1 0 13.913 27.826 3.71998 171.1 20.8 20.9 5.6 6 0 1 1 15.004 30.008 3.45497 821.1 100.0 100.0 5.6 7 1 0 1 15.079 30.158 3.43824 782.1 95.3 95.2 5.6 8 0 0 2 15.274 30.548 3.39536 8.3 1.0 1.0 5.6 9 0 -1 2 15.492 30.984 3.34879 172.0 20.9 20.9 5.6 10 -1 0 2 15.523 31.046 3.34221 155.4 18.9 18.9 5.6 11 -1 1 1 15.899 31.797 3.26523 358.0 43.6 43.5 5.6 12 -1 -1 2 16.828 33.656 3.08967 782.0 95.2 94.9 5.7 13 0 -2 1 20.32 40.639 2.5758 124.5 15.2 15.0 5.7 14 -2 0 1 20.484 40.967 2.55605 110.0 13.4 13.3 5.7 15 -1 1 2 20.874 41.749 2.51026 400.9 48.8 48.3 5.7 16 1 -1 2 20.917 41.834 2.50536 415.6 50.6 50.1 5.7 17 0 2 0 21.562 43.123 2.43389 64.6 7.9 7.8 5.7 18 2 0 0 21.739 43.477 2.41503 38.6 4.7 4.6 5.7 19 0 -2 2 22.04 44.08 2.38362 21.6 2.6 2.6 5.7 20 -1 0 3 22.165 44.33 2.37084 102.7 12.5 12.3 5.7 21 -1 2 0 22.695 45.391 2.31828 8.8 1.1 1.1 5.7 22 1 -2 1 22.821 45.642 2.3062 111.9 13.6 13.4 5.7 23 -2 1 1 22.918 45.836 2.29693 92.2 11.2 11.1 5.7 24 -1 -2 1 23.526 47.052 2.24083 172.0 20.9 20.6 5.7 25 -2 -1 1 23.64 47.281 2.2306 202.8 24.7 24.3 5.7 26 -1 2 1 25.253 50.506 2.09665 59.5 7.3 7.1 5.8 27 0 2 1 25.418 50.836 2.08393 150.6 18.3 18.0 5.8 28 2 0 1 25.592 51.185 2.07067 122.8 15.0 14.6 5.8 29 -2 1 2 25.661 51.323 2.06548 25.5 3.1 3.0 5.8 30 -2 0 3 26.358 52.716 2.01466 8.3 1.0 1.0 5.8 31 -1 -2 3 26.738 53.476 1.98808 124.9 15.2 14.8 5.8 32 -2 -1 3 26.825 53.649 1.98214 109.7 13.4 13.0 5.8 33 1 1 2 27.386 54.773 1.94452 98.5 12.0 11.7 5.8 34 -1 1 3 27.526 55.053 1.93541 9.4 1.2 1.1 5.8 35 1 -1 3 27.578 55.157 1.93204 10.3 1.3 1.2 5.8 36 -2 2 0 28.744 57.488 1.85999 52.9 6.4 6.2 5.8 37 0 1 3 29.175 58.351 1.83485 75.4 9.2 8.9 5.8 38 1 0 3 29.236 58.472 1.83137 75.8 9.2 8.9 5.8 39 0 -1 4 29.849 59.697 1.79714 13.3 1.6 1.6 5.8 40 -2 -2 2 30.318 60.637 1.7719 61.4 7.5 7.2 5.8 41 2 1 1 30.445 60.89 1.76523 10.9 1.3 1.3 5.8 42 1 -2 3 30.504 61.008 1.76215 25.8 3.1 3.0 5.8 43 -2 1 3 30.535 61.069 1.76055 19.3 2.4 2.3 5.8 44 0 2 2 31.184 62.367 1.72749 42.6 5.2 5.0 5.8 45 2 0 2 31.352 62.705 1.71912 53.6 6.5 6.3 5.8 46 0 -3 1 31.532 63.063 1.71034 13.2 1.6 1.5 5.9 47 0 0 4 31.794 63.589 1.69768 65.2 7.9 7.6 5.9 48 0 -2 4 32.29 64.579 1.67439 126.5 15.4 14.8 5.9 49 -2 0 4 32.361 64.722 1.67111 139.1 16.9 16.3 5.9 50 1 -3 1 32.778 65.556 1.65217 8.6 1.1 1.0 5.9 51 -2 2 2 33.221 66.442 1.63262 70.3 8.6 8.2 5.9 52 2 -2 2 33.283 66.566 1.62992 63.1 7.7 7.4 5.9 53 0 3 0 33.453 66.906 1.6226 13.0 1.6 1.5 5.9 54 -1 3 0 33.675 67.349 1.61316 91.6 11.2 10.7 5.9 55 3 0 0 33.749 67.498 1.61002 10.1 1.2 1.2 5.9 56 -1 -3 2 33.881 67.762 1.6045 48.4 5.9 5.6 5.9 57 -3 1 0 33.937 67.874 1.60216 72.4 8.8 8.4 5.9 58 2 2 0 34.032 68.063 1.59825 144.4 17.6 16.8 5.9 59 -3 -1 2 34.112 68.224 1.59493 38.7 4.7 4.5 5.9 60 0 -3 3 34.255 68.51 1.58908 88.8 10.8 10.3 5.9 61 -3 0 3 34.479 68.959 1.58001 79.5 9.7 9.2 5.9 62 -1 -3 1 34.603 69.205 1.57509 15.1 1.8 1.8 5.9 63 -3 -1 1 34.847 69.693 1.56543 18.2 2.2 2.1 5.9 64 -2 -2 4 35.38 70.761 1.54483 56.4 6.9 6.5 5.9 65 1 -1 4 35.421 70.841 1.54331 14.9 1.8 1.7 5.9 66 -3 -1 3 35.502 71.004 1.54024 12.1 1.5 1.4 5.9 67 -1 2 3 36.413 72.827 1.50682 67.4 8.2 7.8 6.0 68 2 -1 3 36.576 73.151 1.50107 85.6 10.4 9.9 6.0 69 1 -2 4 37.068 74.135 1.48395 9.2 1.1 1.1 6.0 70 0 3 1 37.403 74.806 1.47255 63.9 7.8 7.3 6.0 71 -3 1 3 37.539 75.078 1.46801 9.1 1.1 1.0 6.0 72 3 1 0 37.651 75.302 1.46428 34.9 4.2 4.0 6.0 73 3 0 1 37.708 75.416 1.4624 38.6 4.7 4.4 6.0 74 2 -3 1 38.132 76.265 1.44856 22.7 2.8 2.6 6.0 75 -3 2 1 38.252 76.504 1.44473 27.2 3.3 3.1 6.0 76 -1 -2 5 38.31 76.621 1.44286 25.7 3.1 2.9 6.0 77 -2 -1 5 38.367 76.735 1.44105 43.0 5.2 4.9 6.0 78 -2 2 3 38.449 76.898 1.43845 22.4 2.7 2.6 6.0 79 2 -2 3 38.537 77.074 1.43569 40.9 5.0 4.7 6.0 80 2 0 3 38.618 77.236 1.43315 8.5 1.0 1.0 6.0 81 -1 -3 4 38.73 77.46 1.42965 17.1 2.1 2.0 6.0 82 -3 -1 4 38.92 77.84 1.42377 17.5 2.1 2.0 6.0 83 -2 3 1 39.967 79.934 1.39249 32.8 4.0 3.7 6.0 84 3 -2 1 40.157 80.314 1.38701 27.8 3.4 3.2 6.0 85 -2 -3 3 40.354 80.708 1.38139 13.0 1.6 1.5 6.1 86 -3 -2 3 40.486 80.972 1.37766 15.2 1.9 1.7 6.1 87 -2 -3 1 41.558 83.116 1.34835 16.6 2.0 1.9 6.1 88 -3 -2 1 41.703 83.407 1.3445 12.8 1.6 1.4 6.1 89 1 3 1 42.132 84.263 1.33335 9.8 1.2 1.1 6.1 90 1 -3 4 42.605 85.21 1.32132 24.9 3.0 2.8 6.1 91 -3 1 4 42.734 85.469 1.31809 26.3 3.2 2.9 6.1 92 0 -4 2 43.988 87.977 1.2879 38.2 4.7 4.3 6.2 93 -1 -3 5 44.073 88.145 1.28594 19.3 2.3 2.1 6.2 94 -3 -1 5 44.244 88.489 1.28198 8.3 1.0 0.9 6.2 95 2 -3 3 44.356 88.711 1.27943 15.3 1.9 1.7 6.2 96 -4 0 2 44.417 88.834 1.27803 81.0 9.9 9.0 6.2 97 2 1 3 44.514 89.027 1.27583 8.6 1.0 0.9 6.2 98 1 -1 5 44.552 89.103 1.27497 9.5 1.2 1.1 6.2 99 0 -3 5 44.941 89.881 1.26627 10.9 1.3 1.2 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) |