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 *** *********************** FABIANITE 1 CaB(3)O(5)(OH) Monoclinic P 2(1)/a Z = 4 R =0.075 NR =1309 27 .10 .1989 Ref.Str.: J.A.Konnert, J.R.Clark (1970) * Z. Kristallogr., 132, 241-254 Initial data from BDM-file Lattice parameters (cub. angs.,degr.): a = 6.593 alpha = 90.0 b = 10.488 beta = 113.3 c = 6.365 gamma = 90.0 Unit cell volume (cub. angs.) = 404.23 Molar volume ( cub.cm/mol.) = 60.87 Co-ordinates, thermal parameters, occupation for atomic positions: NoP x/a y/b z/c B(j) atom / occupation 1 0.3041 0.4371 0.6372 0.0 Ca = 1.00 2 0.4243 0.1284 0.5278 0.0 O = 1.00 3 0.393 0.2387 0.8489 0.0 O = 1.00 4 0.2161 0.0325 0.7225 0.0 O = 1.00 5 0.6207 0.0502 0.8902 0.0 O = 1.00 6 0.6739 0.1892 0.2175 0.0 O = 1.00 7 0.9845 0.1131 0.1527 0.0 O = 1.00 8 0.4139 0.1124 0.7556 0.0 B = 1.00 9 0.7562 0.0765 0.1259 0.0 B = 1.00 10 0.5174 0.269 0.0739 0.0 B = 1.00 Co-ordinates for all atomic positions : No NoP x/a y/b z/c 1 1 0.3041 0.4371 0.6372 2 2 0.4243 0.1284 0.5278 3 3 0.393 0.2387 0.8489 4 4 0.2161 0.0325 0.7225 5 5 0.6207 0.0502 0.8902 6 6 0.6739 0.1892 0.2175 7 7 0.9845 0.1131 0.1527 8 8 0.4139 0.1124 0.7556 9 9 0.7562 0.0765 0.1259 10 10 0.5174 0.269 0.0739 11 1 0.6959 0.5629 0.3628 12 2 0.5757 0.8716 0.4722 13 3 0.607 0.7613 0.1511 14 4 0.7839 0.9675 0.2775 15 5 0.3793 0.9498 0.1098 16 6 0.3261 0.8108 0.7825 17 7 0.0155 0.8869 0.8473 18 8 0.5861 0.8876 0.2444 19 9 0.2438 0.9235 0.8741 20 10 0.4826 0.731 0.9261 21 1 0.8041 0.0629 0.6372 22 2 0.9243 0.3716 0.5278 23 3 0.893 0.2613 0.8489 24 4 0.7161 0.4675 0.7225 25 5 0.1207 0.4498 0.8902 26 6 0.1739 0.3108 0.2175 27 7 0.4845 0.3869 0.1527 28 8 0.9139 0.3876 0.7556 29 9 0.2562 0.4235 0.1259 30 10 0.0174 0.231 0.0739 31 1 0.1959 0.9371 0.3628 32 2 0.0757 0.6284 0.4722 33 3 0.107 0.7387 0.1511 34 4 0.2839 0.5325 0.2775 35 5 0.8793 0.5502 0.1098 36 6 0.8261 0.6892 0.7825 37 7 0.5155 0.6131 0.8473 38 8 0.0861 0.6124 0.2444 39 9 0.7438 0.5765 0.8741 40 10 0.9826 0.769 0.9261 X-ray density (g/cm cub.) = 2.77 MU (1/cm) = 126.062 Mass attenuation coefficient (cm**2/g) = 45.544 Selected interatomic distances (cation-anion,anion-anion): NoP Atom Rad.sph. C.N. Distance NoP N. (angs.) (angs.) 1 Ca 2.88 8 2.4216 3 2.4182 2 2.5706 4 2.3693 5 2.7953 6 2.4789 2 2.4534 4 2.3799 7 2 O 3.264 8 2.4273 3 2.4036 4 2.3037 5 3.0962 6 2.9423 7 2.9419 2 3.1703 5 2.7761 6 3 O 3.264 6 2.4273 2 2.4377 4 2.4329 5 2.4013 6 2.927 5 2.3656 7 4 O 3.264 7 2.4036 2 2.4377 3 2.457 5 3.1972 4 2.4267 5 2.4206 6 2.3544 7 5 O 3.264 11 2.3037 2 2.4329 3 2.457 4 2.4516 6 2.4103 7 3.1703 2 2.4267 4 2.7121 5 3.0811 6 3.2164 7 2.927 3 6 O 3.264 8 3.0962 2 2.4013 3 2.4516 5 2.3809 7 2.4206 4 3.0811 5 2.7761 2 2.3709 7 7 O 3.264 8 2.9423 2 2.4103 5 2.3809 6 2.3544 4 3.2164 5 3.1246 7 2.3656 3 2.3709 6 8 B 1.872 4 1.4879 2 1.4802 3 1.4933 4 1.4472 5 9 B 1.872 4 1.4369 5 1.5105 6 1.4963 7 1.4601 4 10 B 1.872 3 1.3768 3 1.3618 6 1.3834 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 0 1 7.572 15.143 0.086 112.24 2 9.7 12.9 2 1 1 0 8.447 16.893 0.095 89.76 4 3.1 2.1 3 0 2 0 8.447 16.893 0.095 89.76 2 49.8 272.6 4 0 1 1 8.676 17.352 0.098 84.95 4 15.5 50.3 5 1 1 -1 9.221 18.442 0.104 74.96 4 0.5 0.0 6 1 2 0 11.205 22.409 0.126 50.07 4 54.3 362.0 7 0 2 1 11.381 22.761 0.128 48.47 4 41.0 199.6 8 1 2 -1 11.806 23.612 0.133 44.9 4 31.9 112.1 9 1 1 1 13.207 26.414 0.148 35.46 4 3.8 1.2 10 2 0 -1 13.635 27.269 0.153 33.15 2 96.7 379.0 11 2 1 -1 14.295 28.589 0.16 29.98 4 10.2 7.6 12 1 1 -2 14.713 29.426 0.165 28.19 4 63.0 273.7 13 2 0 0 14.739 29.478 0.165 28.08 2 34.3 40.4 14 1 3 0 14.739 29.478 0.165 28.08 4 20.9 30.1 15 0 3 1 14.876 29.752 0.167 27.53 4 53.8 195.1 16 1 2 1 15.159 30.317 0.17 26.44 4 20.5 27.3 17 1 3 -1 15.21 30.42 0.17 26.25 4 6.5 2.7 18 0 0 2 15.279 30.559 0.171 26.0 2 48.8 75.8 19 2 1 0 15.355 30.711 0.172 25.72 4 32.9 68.2 20 0 1 2 15.877 31.754 0.178 23.94 4 38.8 88.4 21 2 2 -1 16.126 32.252 0.18 23.14 4 21.3 25.6 22 1 2 -2 16.502 33.004 0.184 22.02 4 28.5 43.6 23 2 0 -2 16.549 33.099 0.185 21.88 2 8.0 1.7 24 2 2 0 17.084 34.168 0.191 20.42 4 60.1 180.3 25 0 4 0 17.084 34.168 0.191 20.42 2 4.2 0.5 26 2 1 -2 17.107 34.214 0.191 20.36 4 2.4 0.3 27 0 2 2 17.56 35.119 0.196 19.23 4 10.4 5.1 28 1 3 1 17.986 35.972 0.2 18.25 4 61.9 171.0 29 1 4 0 18.671 37.342 0.208 16.81 4 47.7 93.7 30 2 2 -2 18.692 37.385 0.208 16.77 4 60.6 150.8 31 0 4 1 18.782 37.564 0.209 16.59 4 30.5 37.7 32 2 3 -1 18.824 37.649 0.209 16.51 4 3.2 0.4 33 1 4 -1 19.055 38.11 0.212 16.07 4 12.9 6.5 34 1 3 -2 19.154 38.308 0.213 15.89 4 3.9 0.6 35 2 0 1 19.242 38.484 0.214 15.73 2 13.1 3.3 36 2 3 0 19.667 39.335 0.218 14.98 4 22.9 19.2 37 2 1 1 19.733 39.467 0.219 14.87 4 26.3 25.3 38 1 1 2 20.05 40.1 0.223 14.36 4 23.4 19.3 39 0 3 2 20.09 40.181 0.223 14.29 4 78.3 214.7 40 3 1 -1 21.016 42.032 0.233 12.92 4 50.6 81.1 41 2 3 -2 21.107 42.214 0.234 12.8 4 36.1 40.8 42 2 2 1 21.15 42.3 0.234 12.74 4 40.5 51.2 43 1 4 1 21.398 42.795 0.237 12.41 4 19.2 11.2 44 1 2 2 21.45 42.899 0.237 12.35 4 48.9 72.4 45 1 1 -3 21.811 43.623 0.241 11.89 4 75.2 164.6 46 3 1 -2 22.048 44.097 0.244 11.61 4 48.7 67.3 47 2 0 -3 22.09 44.18 0.244 11.56 2 63.3 56.8 48 2 4 -1 22.127 44.254 0.244 11.51 4 13.9 5.5 49 3 2 -1 22.366 44.731 0.247 11.24 4 85.2 199.9 50 1 4 -2 22.416 44.832 0.248 11.18 4 59.4 96.7 51 2 1 -3 22.53 45.06 0.249 11.05 4 10.0 2.7 52 3 1 0 22.869 45.738 0.252 10.69 4 21.0 11.5 53 2 4 0 22.869 45.738 0.252 10.69 4 30.0 23.5 54 1 5 0 22.869 45.738 0.252 10.69 4 13.3 4.6 55 0 5 1 22.963 45.927 0.253 10.59 4 79.0 161.7 56 1 2 -3 23.124 46.249 0.255 10.42 4 34.2 29.9 57 1 5 -1 23.196 46.391 0.256 10.35 4 48.4 59.5 58 0 4 2 23.244 46.489 0.256 10.3 4 16.1 6.5 59 0 0 3 23.284 46.568 0.257 10.26 2 24.7 7.6 60 3 2 -2 23.351 46.701 0.257 10.19 4 29.1 21.2 61 2 3 1 23.355 46.71 0.257 10.19 4 90.3 203.3 62 1 3 2 23.632 47.265 0.26 9.92 4 4.4 0.5 63 0 1 3 23.707 47.414 0.261 9.85 4 18.6 8.3 64 2 2 -3 23.812 47.623 0.262 9.75 4 27.9 18.6 65 3 2 0 24.137 48.273 0.265 9.46 4 38.5 34.3 66 2 4 -2 24.154 48.308 0.266 9.44 4 36.8 31.3 67 3 3 -1 24.484 48.969 0.269 9.15 4 22.8 11.6 68 0 2 3 24.942 49.884 0.274 8.78 4 49.2 52.1 69 1 3 -3 25.194 50.388 0.276 8.58 4 18.3 7.1 70 1 5 1 25.227 50.454 0.277 8.55 4 15.0 4.7 71 3 3 -2 25.406 50.812 0.278 8.42 4 45.2 42.0 72 2 0 2 25.638 51.276 0.281 8.24 2 64.9 42.5 73 3 1 -3 25.692 51.383 0.281 8.2 4 68.1 93.2 74 2 3 -3 25.84 51.679 0.283 8.1 4 29.0 16.7 75 2 5 -1 25.873 51.745 0.283 8.07 4 24.5 11.9 76 2 1 2 26.032 52.064 0.285 7.96 4 16.4 5.2 77 1 5 -2 26.13 52.26 0.286 7.89 4 36.8 26.1 78 3 3 0 26.146 52.292 0.286 7.88 4 45.1 39.2 79 0 6 0 26.146 52.292 0.286 7.88 2 62.9 38.1 80 2 4 1 26.199 52.398 0.287 7.85 4 13.2 3.3 81 1 4 2 26.454 52.908 0.289 7.68 4 9.6 1.7 82 2 5 0 26.535 53.069 0.29 7.62 4 9.8 1.8 83 3 2 -3 26.86 53.719 0.293 7.41 4 5.6 0.6 84 0 5 2 26.872 53.743 0.293 7.41 4 15.7 4.5 85 0 3 3 26.907 53.815 0.294 7.38 4 14.0 3.5 86 3 1 1 27.146 54.292 0.296 7.24 4 48.2 41.1 87 2 2 2 27.189 54.379 0.297 7.21 4 59.4 62.2 88 3 4 -1 27.241 54.482 0.297 7.18 4 41.4 30.1 89 1 6 0 27.3 54.601 0.298 7.14 4 45.5 36.3 90 0 6 1 27.383 54.767 0.299 7.1 4 6.1 0.6 91 1 6 -1 27.588 55.176 0.301 6.98 4 41.3 29.1 92 2 5 -2 27.694 55.387 0.302 6.92 4 68.5 79.4 93 1 1 3 27.807 55.613 0.303 6.85 4 25.3 10.7 94 1 4 -3 27.9 55.801 0.304 6.8 4 18.8 5.9 95 3 4 -2 28.098 56.197 0.306 6.69 4 58.5 56.1 96 4 0 -2 28.129 56.258 0.306 6.68 2 27.8 6.3 97 4 0 -1 28.195 56.39 0.307 6.64 2 32.2 8.4 98 3 2 1 28.272 56.544 0.307 6.6 4 16.7 4.5 99 4 1 -2 28.499 56.999 0.31 6.48 4 26.2 10.9 100 2 4 -3 28.503 57.007 0.31 6.48 4 20.1 6.4 101 4 1 -1 28.564 57.129 0.31 6.45 4 28.0 12.4 102 3 3 -3 28.733 57.466 0.312 6.36 4 6.8 0.7 103 3 4 0 28.79 57.58 0.313 6.33 4 3.5 0.2 104 1 2 3 28.916 57.831 0.314 6.27 4 4.6 0.3 105 2 3 2 29.049 58.097 0.315 6.21 4 30.4 14.0 106 2 0 -4 29.094 58.188 0.316 6.19 2 7.3 0.4 107 1 6 1 29.4 58.8 0.319 6.04 4 6.4 0.6 108 2 1 -4 29.456 58.913 0.319 6.02 4 2.1 0.1 109 0 4 3 29.505 59.011 0.32 5.99 4 19.6 5.6 110 2 5 1 29.565 59.131 0.32 5.97 4 45.0 29.5 111 4 2 -2 29.592 59.183 0.321 5.95 4 1.9 0.1 112 4 2 -1 29.655 59.31 0.321 5.93 4 19.3 5.4 113 1 1 -4 29.756 59.512 0.322 5.88 4 8.8 1.1 114 1 5 2 29.801 59.602 0.323 5.86 4 1.1 0.0 115 2 6 -1 29.984 59.967 0.324 5.78 4 43.6 26.9 116 3 3 1 30.087 60.175 0.325 5.74 4 12.7 2.2 117 1 6 -2 30.217 60.435 0.327 5.68 4 25.4 8.9 118 4 0 -3 30.398 60.797 0.328 5.61 2 5.4 0.2 119 2 2 -4 30.527 61.055 0.33 5.55 4 37.5 19.2 120 3 5 -1 30.531 61.062 0.33 5.55 4 9.9 1.3 121 4 0 0 30.586 61.172 0.33 5.53 2 4.9 0.2 122 2 6 0 30.586 61.172 0.33 5.53 4 6.6 0.6 123 1 3 3 30.707 61.414 0.331 5.48 4 13.4 2.4 124 4 1 -3 30.751 61.502 0.332 5.46 4 18.0 4.4 125 1 2 -4 30.821 61.641 0.333 5.44 4 64.3 55.0 126 0 6 2 30.894 61.788 0.333 5.41 4 1.2 0.0 127 4 1 0 30.937 61.875 0.334 5.39 4 18.4 4.5 128 1 5 -3 31.145 62.291 0.336 5.31 4 19.5 4.9 129 3 4 -3 31.233 62.465 0.337 5.28 4 6.0 0.5 130 3 1 -4 31.287 62.574 0.337 5.26 4 27.9 10.0 131 3 5 -2 31.331 62.661 0.338 5.24 4 21.3 5.8 132 4 3 -2 31.359 62.719 0.338 5.23 4 33.8 14.6 133 4 3 -1 31.421 62.842 0.338 5.21 4 18.0 4.1 134 2 4 2 31.533 63.066 0.339 5.17 4 6.3 0.5 135 2 6 -2 31.649 63.297 0.341 5.13 4 23.9 7.1 136 2 5 -3 31.71 63.42 0.341 5.11 4 26.3 8.6 137 4 2 -3 31.796 63.592 0.342 5.08 4 44.9 25.1 138 0 0 4 31.807 63.613 0.342 5.07 2 48.5 14.6 139 4 2 0 31.979 63.958 0.344 5.01 4 19.3 4.6 140 3 5 0 31.979 63.958 0.344 5.01 4 18.8 4.3 141 1 7 0 31.979 63.958 0.344 5.01 4 12.5 1.9 142 0 7 1 32.054 64.109 0.345 4.99 4 17.0 3.5 143 0 1 4 32.151 64.301 0.345 4.96 4 1.5 0.0 144 1 7 -1 32.24 64.48 0.346 4.93 4 1.1 0.0 145 2 3 -4 32.265 64.53 0.347 4.92 4 6.1 0.4 146 3 2 -4 32.322 64.644 0.347 4.9 4 8.0 0.8 147 3 4 1 32.525 65.049 0.349 4.83 4 1.9 0.0 148 1 3 -4 32.55 65.099 0.349 4.82 4 7.3 0.6 149 0 5 3 32.652 65.305 0.35 4.79 4 12.7 1.9 150 1 4 3 33.118 66.237 0.355 4.65 4 32.7 12.2 151 0 2 4 33.171 66.342 0.355 4.63 4 28.8 9.4 152 3 1 2 33.213 66.426 0.356 4.62 4 27.9 8.8 153 2 0 3 33.245 66.489 0.356 4.61 2 49.6 13.9 154 2 6 1 33.385 66.77 0.357 4.57 4 3.8 0.2 155 4 3 -3 33.497 66.995 0.358 4.54 4 27.4 8.4 156 2 1 3 33.581 67.162 0.359 4.51 4 21.7 5.2 157 1 6 2 33.606 67.211 0.359 4.51 4 13.7 2.1 158 4 3 0 33.675 67.35 0.36 4.49 4 25.8 7.3 159 4 4 -2 33.745 67.49 0.361 4.47 4 17.9 3.5 160 4 4 -1 33.804 67.609 0.361 4.45 4 10.6 1.2 161 1 7 1 33.902 67.804 0.362 4.43 4 46.1 23.1 162 3 3 -4 34.01 68.019 0.363 4.4 4 1.3 0.0 163 3 2 2 34.217 68.434 0.365 4.34 4 10.9 1.3 164 3 6 -1 34.29 68.58 0.366 4.32 4 16.8 3.0 165 3 5 -3 34.29 68.581 0.366 4.32 4 4.9 0.3 166 2 7 -1 34.442 68.885 0.367 4.28 4 8.1 0.7 167 2 5 2 34.576 69.153 0.368 4.25 4 27.8 8.1 168 2 2 3 34.58 69.16 0.368 4.25 4 30.5 9.7 169 2 4 -4 34.618 69.236 0.369 4.24 4 17.5 3.2 170 1 7 -2 34.659 69.319 0.369 4.23 4 32.3 10.8 171 4 0 -4 34.728 69.456 0.37 4.21 2 12.2 0.8 172 0 3 4 34.838 69.676 0.371 4.18 4 31.9 10.4 173 1 6 -3 34.869 69.738 0.371 4.18 4 16.8 2.9 174 1 4 -4 34.893 69.786 0.371 4.17 4 80.9 66.9 175 2 7 0 35.003 70.005 0.372 4.14 4 41.3 17.3 176 4 0 1 35.019 70.039 0.372 4.14 2 20.4 2.1 177 3 6 -2 35.044 70.088 0.373 4.13 4 36.4 13.4 178 4 1 -4 35.057 70.115 0.373 4.13 4 23.5 5.6 179 0 7 2 35.29 70.58 0.375 4.08 4 5.4 0.3 180 4 1 1 35.347 70.695 0.376 4.06 4 13.0 1.7 181 2 6 -3 35.403 70.805 0.376 4.05 4 11.5 1.3 182 3 5 1 35.525 71.05 0.377 4.02 4 26.7 7.0 183 3 6 0 35.658 71.315 0.378 3.99 4 10.2 1.0 184 4 4 -3 35.811 71.621 0.38 3.96 4 24.1 5.6 185 3 3 2 35.861 71.722 0.38 3.95 4 10.7 1.1 186 4 4 0 35.983 71.966 0.381 3.92 4 9.8 0.9 187 0 8 0 35.983 71.967 0.381 3.92 2 27.1 3.5 188 2 7 -2 35.997 71.994 0.382 3.92 4 16.1 2.5 189 4 2 -4 36.038 72.075 0.382 3.91 4 9.6 0.9 190 5 1 -2 36.078 72.156 0.382 3.9 4 19.6 3.7 191 1 5 3 36.095 72.19 0.382 3.9 4 0.4 0.0 192 2 3 3 36.216 72.433 0.384 3.87 4 24.6 5.8 193 0 6 3 36.298 72.595 0.384 3.86 4 6.7 0.4 194 3 4 -4 36.308 72.616 0.384 3.86 4 34.8 11.5 195 4 2 1 36.324 72.648 0.385 3.85 4 2.4 0.1 196 1 1 4 36.415 72.831 0.385 3.83 4 34.5 11.2 197 4 5 -2 36.698 73.396 0.388 3.78 4 30.8 8.8 198 4 5 -1 36.755 73.51 0.388 3.77 4 33.8 10.6 199 5 1 -1 36.93 73.859 0.39 3.73 4 40.3 14.9 200 1 8 0 36.953 73.907 0.39 3.73 4 8.2 0.6 201 0 8 1 37.024 74.047 0.391 3.72 4 16.3 2.4 202 5 2 -2 37.047 74.094 0.391 3.71 4 35.1 11.2 203 0 4 4 37.114 74.228 0.392 3.7 4 11.9 1.3 204 1 8 -1 37.198 74.395 0.392 3.68 4 7.5 0.5 205 2 0 -5 37.238 74.475 0.393 3.68 2 25.7 3.0 206 5 1 -3 37.304 74.609 0.393 3.66 4 6.6 0.4 207 1 2 4 37.381 74.762 0.394 3.65 4 28.7 7.4 208 2 5 -4 37.541 75.083 0.396 3.62 4 9.2 0.8 209 2 1 -5 37.558 75.116 0.396 3.62 4 19.5 3.4 210 2 7 1 37.638 75.276 0.396 3.61 4 24.1 5.1 211 4 3 -4 37.648 75.296 0.396 3.6 4 38.6 13.1 212 1 5 -4 37.807 75.615 0.398 3.58 4 20.8 3.8 213 1 7 2 37.847 75.695 0.398 3.57 4 55.6 27.0 214 3 6 -3 37.864 75.728 0.398 3.57 4 22.1 4.3 215 5 2 -1 37.89 75.78 0.399 3.56 4 20.9 3.8 216 4 3 1 37.93 75.86 0.399 3.56 4 12.2 1.3 217 3 4 2 38.112 76.225 0.401 3.53 4 45.2 17.7 218 2 6 2 38.139 76.278 0.401 3.52 4 8.4 0.6 219 5 2 -3 38.262 76.524 0.402 3.5 4 6.5 0.4 220 3 1 -5 38.421 76.841 0.403 3.48 4 0.8 0.0 221 2 4 3 38.46 76.92 0.404 3.47 4 5.6 0.3 222 3 7 -1 38.5 77.0 0.404 3.46 4 20.3 3.5 223 2 2 -5 38.513 77.026 0.404 3.46 4 2.0 0.0 224 1 1 -5 38.606 77.211 0.405 3.45 4 30.5 7.8 225 5 3 -2 38.642 77.284 0.405 3.44 4 23.1 4.5 226 4 5 -3 38.698 77.396 0.406 3.43 4 2.2 0.0 227 1 8 1 38.764 77.528 0.406 3.42 4 20.3 3.5 228 4 5 0 38.866 77.732 0.407 3.41 4 43.9 16.1 229 1 3 4 38.971 77.943 0.408 3.39 4 29.6 7.3 230 3 6 1 39.054 78.107 0.409 3.38 4 23.9 4.7 231 1 7 -3 39.054 78.108 0.409 3.38 4 36.1 10.8 232 3 5 -4 39.182 78.364 0.41 3.36 4 1.9 0.0 233 3 7 -2 39.222 78.443 0.41 3.36 4 29.9 7.4 234 2 8 -1 39.277 78.555 0.411 3.35 4 20.4 3.4 235 3 2 -5 39.369 78.739 0.412 3.34 4 26.4 5.7 236 5 3 -1 39.474 78.948 0.413 3.32 4 18.4 2.8 237 1 8 -2 39.484 78.969 0.413 3.32 4 1.5 0.0 238 1 2 -5 39.553 79.106 0.413 3.31 4 20.8 3.5 239 2 7 -3 39.566 79.132 0.413 3.31 4 27.1 5.9 240 1 6 3 39.605 79.211 0.414 3.31 4 4.2 0.1 241 5 1 0 39.811 79.623 0.416 3.28 4 72.7 42.4 242 3 7 0 39.812 79.623 0.416 3.28 4 15.6 2.0 243 2 8 0 39.812 79.624 0.416 3.28 4 67.1 36.1 244 5 3 -3 39.841 79.682 0.416 3.27 4 28.9 6.7 245 4 4 -4 39.864 79.728 0.416 3.27 4 39.1 12.2 246 0 5 4 39.969 79.937 0.417 3.26 4 10.1 0.8 247 0 8 2 40.087 80.173 0.418 3.24 4 16.9 2.3 248 2 3 -5 40.09 80.179 0.418 3.24 4 19.5 3.0 249 4 4 1 40.142 80.283 0.418 3.24 4 22.4 4.0 250 4 6 -2 40.191 80.382 0.419 3.23 4 41.2 13.4 251 4 6 -1 40.246 80.493 0.419 3.22 4 11.3 1.0 252 0 7 3 40.429 80.858 0.421 3.2 4 22.5 4.0 253 5 1 -4 40.543 81.087 0.422 3.19 4 38.1 11.3 254 5 2 0 40.751 81.503 0.424 3.17 4 16.2 2.0 255 2 8 -2 40.765 81.53 0.424 3.16 4 25.4 5.0 256 3 1 3 40.781 81.561 0.424 3.16 4 35.3 9.7 257 5 4 -2 40.843 81.685 0.425 3.16 4 37.1 10.6 258 4 0 -5 40.846 81.692 0.425 3.15 2 48.1 9.0 259 3 3 -5 40.937 81.874 0.425 3.14 4 1.1 0.0 260 3 5 2 40.947 81.893 0.425 3.14 4 13.2 1.3 261 2 6 -4 41.012 82.024 0.426 3.14 4 31.4 7.6 262 1 3 -5 41.119 82.238 0.427 3.13 4 6.2 0.3 263 4 1 -5 41.158 82.316 0.427 3.12 4 11.4 1.0 264 1 4 4 41.168 82.335 0.427 3.12 4 54.3 22.5 265 0 0 5 41.21 82.42 0.428 3.12 2 8.5 0.3 266 4 0 2 41.232 82.465 0.428 3.11 2 32.9 4.1 267 1 6 -4 41.272 82.544 0.428 3.11 4 8.2 0.5 268 2 5 3 41.288 82.576 0.428 3.11 4 11.2 1.0 269 5 2 -4 41.48 82.959 0.43 3.09 4 23.3 4.1 270 0 1 5 41.521 83.043 0.43 3.08 4 14.6 1.6 271 4 1 2 41.544 83.088 0.43 3.08 4 37.5 10.6 272 5 4 -1 41.664 83.328 0.432 3.07 4 24.9 4.7 273 3 2 3 41.716 83.431 0.432 3.06 4 4.3 0.1 274 3 7 -3 41.95 83.899 0.434 3.04 4 26.5 5.2 275 5 4 -3 42.027 84.054 0.435 3.04 4 38.3 10.9 276 2 0 4 42.049 84.099 0.435 3.03 2 34.7 4.5 277 4 2 -5 42.092 84.184 0.435 3.03 4 46.4 16.0 278 4 6 -3 42.144 84.287 0.436 3.03 4 12.8 1.2 279 2 7 2 42.218 84.436 0.436 3.02 4 41.3 12.6 280 2 4 -5 42.273 84.546 0.437 3.01 4 22.1 3.6 281 5 3 0 42.308 84.616 0.437 3.01 4 15.7 1.8 282 4 6 0 42.308 84.617 0.437 3.01 4 7.0 0.4 283 1 9 0 42.309 84.617 0.437 3.01 4 2.7 0.1 284 2 8 1 42.351 84.701 0.437 3.01 4 3.3 0.1 285 2 1 4 42.36 84.72 0.437 3.01 4 28.1 5.8 286 0 9 1 42.377 84.753 0.438 3.0 4 22.5 3.7 287 0 2 5 42.454 84.908 0.438 3.0 4 10.6 0.8 288 4 2 2 42.476 84.952 0.438 3.0 4 36.4 9.7 289 1 9 -1 42.545 85.089 0.439 2.99 4 2.5 0.0 290 1 8 2 42.554 85.108 0.439 2.99 4 18.6 2.5 291 3 6 -4 42.619 85.238 0.44 2.98 4 47.1 16.2 292 4 5 -4 42.671 85.341 0.44 2.98 4 27.9 5.7 293 4 5 1 42.945 85.889 0.442 2.96 4 22.1 3.5 294 5 3 -4 43.032 86.064 0.443 2.95 4 14.7 1.6 295 3 7 1 43.113 86.225 0.444 2.95 4 31.8 7.3 296 3 4 -5 43.113 86.226 0.444 2.95 4 52.1 19.6 297 3 8 -1 43.19 86.38 0.444 2.94 4 8.4 0.5 298 3 3 3 43.267 86.534 0.445 2.93 4 1.0 0.0 299 2 2 4 43.29 86.579 0.445 2.93 4 12.4 1.1 300 1 4 -5 43.293 86.587 0.445 2.93 4 8.6 0.5 301 0 6 4 43.393 86.787 0.446 2.92 4 53.6 20.6 302 5 5 -2 43.638 87.276 0.448 2.91 4 20.3 2.9 303 4 3 -5 43.642 87.283 0.448 2.91 4 24.4 4.3 304 1 7 3 43.654 87.309 0.448 2.91 4 6.3 0.3 305 1 8 -3 43.732 87.464 0.449 2.9 4 5.0 0.2 306 3 8 -2 43.896 87.792 0.45 2.89 4 25.4 4.6 307 1 5 4 43.96 87.921 0.451 2.89 4 23.4 3.9 308 0 3 5 44.002 88.004 0.451 2.88 4 11.3 0.9 309 4 3 2 44.025 88.049 0.451 2.88 4 9.9 0.7 310 1 9 1 44.067 88.134 0.451 2.88 4 55.8 21.9 311 4 7 -2 44.231 88.462 0.453 2.87 4 19.3 2.6 312 2 8 -3 44.234 88.469 0.453 2.87 4 7.9 0.4 313 4 7 -1 44.286 88.572 0.453 2.87 4 16.7 1.9 314 3 6 2 44.36 88.719 0.454 2.86 4 36.3 9.3 315 5 5 -1 44.453 88.906 0.455 2.86 4 28.7 5.8 316 5 4 0 44.475 88.951 0.455 2.86 4 1.2 0.0 317 3 8 0 44.476 88.952 0.455 2.86 4 24.9 4.3 318 2 9 -1 44.569 89.139 0.456 2.85 4 12.9 1.2 319 6 0 -2 44.591 89.183 0.456 2.85 2 40.7 5.8 320 5 1 1 44.633 89.266 0.456 2.85 4 1.9 0.0 321 2 6 3 44.698 89.396 0.457 2.84 4 28.1 5.5 322 1 9 -2 44.772 89.544 0.457 2.84 4 27.9 5.4 323 5 5 -3 44.814 89.628 0.457 2.84 4 8.5 0.5 324 2 3 4 44.836 89.672 0.458 2.84 4 2.8 0.1 325 6 1 -2 44.901 89.801 0.458 2.83 4 25.4 4.5 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 7.572 15.143 5.84591 12.9 3.4 3.4 5.6 2 0 2 0 8.447 16.893 5.244 274.7 72.5 73.0 5.6 3 0 1 1 8.676 17.352 5.10626 50.3 13.3 13.4 5.6 4 1 2 0 11.205 22.409 3.96411 362.0 95.5 95.9 5.6 5 0 2 1 11.381 22.761 3.90358 199.6 52.7 52.9 5.6 6 1 2 -1 11.806 23.612 3.76487 112.1 29.6 29.7 5.6 7 2 0 -1 13.635 27.269 3.26763 379.0 100.0 100.0 5.6 8 2 1 -1 14.295 28.589 3.11972 7.6 2.0 2.0 5.6 9 1 1 -2 14.713 29.426 3.0329 344.2 90.8 90.7 5.6 10 0 3 1 14.876 29.752 3.00041 195.1 51.5 51.4 5.6 11 1 2 1 15.159 30.317 2.94569 27.3 7.2 7.2 5.6 12 0 0 2 15.279 30.559 2.92296 75.8 20.0 19.9 5.6 13 2 1 0 15.355 30.711 2.90888 68.2 18.0 17.9 5.6 14 0 1 2 15.877 31.754 2.81565 88.4 23.3 23.2 5.6 15 2 2 -1 16.126 32.252 2.77329 25.6 6.8 6.7 5.6 16 1 2 -2 16.502 33.004 2.71176 43.6 11.5 11.5 5.6 17 2 2 0 17.084 34.168 2.62202 181.0 47.8 47.5 5.7 18 0 2 2 17.56 35.119 2.55313 5.1 1.3 1.3 5.7 19 1 3 1 17.986 35.972 2.49454 171.0 45.1 44.8 5.7 20 2 2 -2 18.692 37.385 2.40348 244.6 64.5 64.0 5.7 21 0 4 1 18.782 37.564 2.39238 37.7 10.0 9.9 5.7 22 1 4 -1 19.055 38.11 2.35936 6.5 1.7 1.7 5.7 23 2 3 0 19.667 39.335 2.28868 19.2 5.1 5.0 5.7 24 2 1 1 19.733 39.467 2.28135 25.3 6.7 6.6 5.7 25 1 1 2 20.05 40.1 2.24674 19.3 5.1 5.0 5.7 26 0 3 2 20.09 40.181 2.24244 214.7 56.7 56.0 5.7 27 3 1 -1 21.016 42.032 2.14787 81.1 21.4 21.1 5.7 28 2 3 -2 21.107 42.214 2.139 40.8 10.8 10.6 5.7 29 2 2 1 21.15 42.3 2.13486 51.2 13.5 13.3 5.7 30 1 4 1 21.398 42.795 2.11129 11.2 3.0 2.9 5.7 31 1 2 2 21.45 42.899 2.10641 72.4 19.1 18.8 5.7 32 1 1 -3 21.811 43.623 2.07313 164.6 43.4 42.8 5.7 33 3 1 -2 22.048 44.097 2.05195 67.3 17.8 17.5 5.7 34 2 0 -3 22.09 44.18 2.04827 56.8 15.0 14.7 5.7 35 2 4 -1 22.127 44.254 2.04502 5.5 1.4 1.4 5.7 36 3 2 -1 22.366 44.731 2.0243 199.9 52.7 51.9 5.7 37 1 4 -2 22.416 44.832 2.01998 96.7 25.5 25.1 5.7 38 2 4 0 22.869 45.738 1.98205 39.6 10.4 10.3 5.7 39 0 5 1 22.963 45.927 1.97435 161.7 42.7 41.9 5.7 40 1 2 -3 23.124 46.249 1.96137 29.9 7.9 7.8 5.7 41 1 5 -1 23.196 46.391 1.95567 59.5 15.7 15.4 5.7 42 0 4 2 23.244 46.489 1.95179 6.5 1.7 1.7 5.7 43 0 0 3 23.284 46.568 1.94864 7.6 2.0 2.0 5.7 44 2 3 1 23.355 46.71 1.94306 224.5 59.2 58.1 5.7 45 0 1 3 23.707 47.414 1.91585 8.3 2.2 2.2 5.7 46 2 2 -3 23.812 47.623 1.9079 18.6 4.9 4.8 5.7 47 3 2 0 24.137 48.273 1.88372 65.6 17.3 17.0 5.7 48 3 3 -1 24.484 48.969 1.85859 11.6 3.1 3.0 5.7 49 0 2 3 24.942 49.884 1.8266 52.1 13.7 13.4 5.7 50 1 3 -3 25.194 50.388 1.80952 7.1 1.9 1.8 5.8 51 1 5 1 25.227 50.454 1.80729 4.7 1.2 1.2 5.8 52 3 3 -2 25.406 50.812 1.79538 42.0 11.1 10.8 5.8 53 2 0 2 25.638 51.276 1.78025 42.5 11.2 11.0 5.8 54 3 1 -3 25.692 51.383 1.77677 93.2 24.6 24.0 5.8 55 2 3 -3 25.84 51.679 1.76728 16.7 4.4 4.3 5.8 56 2 5 -1 25.873 51.745 1.7652 11.9 3.1 3.1 5.8 57 2 1 2 26.032 52.064 1.75515 5.2 1.4 1.3 5.8 58 0 6 0 26.146 52.292 1.748 103.4 27.3 26.6 5.8 59 0 5 2 26.872 53.743 1.70419 4.5 1.2 1.1 5.8 60 3 1 1 27.146 54.292 1.68826 41.1 10.8 10.5 5.8 61 2 2 2 27.189 54.379 1.68576 62.2 16.4 16.0 5.8 62 3 4 -1 27.241 54.482 1.68281 30.1 7.9 7.7 5.8 63 1 6 0 27.3 54.601 1.67943 36.3 9.6 9.3 5.8 64 1 6 -1 27.588 55.176 1.66329 29.1 7.7 7.5 5.8 65 2 5 -2 27.694 55.387 1.65744 79.4 21.0 20.3 5.8 66 1 1 3 27.807 55.613 1.65123 10.7 2.8 2.8 5.8 67 1 4 -3 27.9 55.801 1.64613 5.9 1.5 1.5 5.8 68 3 4 -2 28.098 56.197 1.63546 56.1 14.8 14.4 5.8 69 4 0 -2 28.129 56.258 1.63381 6.3 1.7 1.6 5.8 70 4 0 -1 28.195 56.39 1.63032 8.4 2.2 2.2 5.8 71 3 2 1 28.272 56.544 1.62624 4.5 1.2 1.2 5.8 72 4 1 -2 28.499 56.999 1.61434 17.3 4.6 4.4 5.8 73 4 1 -1 28.564 57.129 1.61097 12.4 3.3 3.2 5.8 74 2 3 2 29.049 58.097 1.58641 14.0 3.7 3.6 5.8 75 0 4 3 29.505 59.011 1.56401 5.6 1.5 1.4 5.8 76 2 5 1 29.565 59.131 1.56112 29.6 7.8 7.5 5.8 77 4 2 -1 29.655 59.31 1.55682 5.4 1.4 1.4 5.8 78 2 6 -1 29.984 59.967 1.54132 26.9 7.1 6.9 5.8 79 1 6 -2 30.217 60.435 1.53051 8.9 2.4 2.3 5.8 80 2 2 -4 30.527 61.055 1.51645 20.5 5.4 5.2 5.8 81 4 1 -3 30.751 61.502 1.50648 4.4 1.1 1.1 5.8 82 1 2 -4 30.821 61.641 1.50341 55.0 14.5 14.0 5.8 83 4 1 0 30.937 61.875 1.4983 4.5 1.2 1.1 5.8 84 1 5 -3 31.145 62.291 1.48929 4.9 1.3 1.3 5.8 85 3 1 -4 31.287 62.574 1.48323 10.0 2.6 2.5 5.8 86 4 3 -2 31.359 62.719 1.48015 20.4 5.4 5.2 5.8 87 4 3 -1 31.421 62.842 1.47755 4.1 1.1 1.1 5.9 88 2 6 -2 31.649 63.297 1.46801 7.1 1.9 1.8 5.9 89 2 5 -3 31.71 63.42 1.46548 8.6 2.3 2.2 5.9 90 4 2 -3 31.796 63.592 1.46191 39.7 10.5 10.0 5.9 91 4 2 0 31.979 63.958 1.45444 10.8 2.9 2.7 5.9 92 1 4 3 33.118 66.237 1.40981 12.2 3.2 3.1 5.9 93 0 2 4 33.171 66.342 1.40783 9.4 2.5 2.4 5.9 94 3 1 2 33.213 66.426 1.40625 8.8 2.3 2.2 5.9 95 2 0 3 33.245 66.489 1.40507 13.9 3.7 3.5 5.9 96 4 3 -3 33.497 66.995 1.39569 8.4 2.2 2.1 5.9 97 2 1 3 33.581 67.162 1.39263 7.3 1.9 1.8 5.9 98 4 3 0 33.675 67.35 1.38918 7.3 1.9 1.8 5.9 99 1 7 1 33.902 67.804 1.38099 23.1 6.1 5.8 5.9 100 2 2 3 34.58 69.16 1.35719 17.7 4.7 4.4 5.9 101 1 7 -2 34.659 69.319 1.35447 10.8 2.9 2.7 5.9 102 0 3 4 34.838 69.676 1.3484 10.4 2.7 2.6 5.9 103 1 4 -4 34.893 69.786 1.34654 69.7 18.4 17.5 5.9 104 2 7 0 35.003 70.005 1.34285 19.4 5.1 4.9 5.9 105 3 6 -2 35.044 70.088 1.34148 19.0 5.0 4.8 5.9 106 3 5 1 35.525 71.05 1.32565 7.0 1.9 1.8 5.9 107 4 4 -3 35.811 71.621 1.31648 5.6 1.5 1.4 5.9 108 0 8 0 35.983 71.967 1.311 6.0 1.6 1.5 5.9 109 2 3 3 36.216 72.433 1.30371 5.8 1.5 1.4 5.9 110 3 4 -4 36.308 72.616 1.30088 11.5 3.0 2.9 6.0 111 1 1 4 36.415 72.831 1.29757 11.2 2.9 2.8 6.0 112 4 5 -2 36.698 73.396 1.28896 8.8 2.3 2.2 6.0 113 4 5 -1 36.755 73.51 1.28724 10.6 2.8 2.6 6.0 114 5 1 -1 36.93 73.859 1.28202 15.5 4.1 3.9 6.0 115 5 2 -2 37.047 74.094 1.27854 13.6 3.6 3.4 6.0 116 1 2 4 37.381 74.762 1.26876 7.4 1.9 1.8 6.0 117 4 3 -4 37.648 75.296 1.26109 18.3 4.8 4.5 6.0 118 1 7 2 37.847 75.695 1.25543 31.3 8.3 7.8 6.0 119 5 2 -1 37.89 75.78 1.25422 3.8 1.0 0.9 6.0 120 3 4 2 38.112 76.225 1.24801 18.3 4.8 4.5 6.0 121 1 1 -5 38.606 77.211 1.23451 7.8 2.1 1.9 6.0 122 5 3 -2 38.642 77.284 1.23353 4.5 1.2 1.1 6.0 123 4 5 0 38.866 77.732 1.22754 16.1 4.2 4.0 6.0 124 1 3 4 38.971 77.943 1.22474 7.3 1.9 1.8 6.0 125 1 7 -3 39.054 78.108 1.22257 15.5 4.1 3.8 6.0 126 3 7 -2 39.222 78.443 1.21818 7.4 1.9 1.8 6.0 127 3 2 -5 39.369 78.739 1.21435 5.7 1.5 1.4 6.0 128 2 7 -3 39.566 79.132 1.20929 9.5 2.5 2.3 6.0 129 5 1 0 39.811 79.623 1.20307 87.2 23.0 21.4 6.0 130 4 4 -4 39.864 79.728 1.20174 12.2 3.2 3.0 6.0 131 2 3 -5 40.09 80.179 1.19611 5.3 1.4 1.3 6.0 132 4 4 1 40.142 80.283 1.19483 4.0 1.1 1.0 6.0 133 4 6 -2 40.191 80.382 1.19361 13.4 3.5 3.3 6.0 134 0 7 3 40.429 80.858 1.18777 4.0 1.0 1.0 6.1 135 5 1 -4 40.543 81.087 1.18501 11.3 3.0 2.8 6.1 136 3 1 3 40.781 81.561 1.17931 16.7 4.4 4.1 6.1 137 5 4 -2 40.843 81.685 1.17783 19.6 5.2 4.8 6.1 138 2 6 -4 41.012 82.024 1.17382 7.6 2.0 1.9 6.1 139 1 4 4 41.168 82.335 1.17017 22.5 5.9 5.5 6.1 140 4 0 2 41.232 82.465 1.16866 4.1 1.1 1.0 6.1 141 5 2 -4 41.48 82.959 1.16295 4.1 1.1 1.0 6.1 142 4 1 2 41.544 83.088 1.16147 12.2 3.2 3.0 6.1 143 5 4 -1 41.664 83.328 1.15873 4.7 1.2 1.1 6.1 144 3 7 -3 41.95 83.899 1.15229 5.2 1.4 1.3 6.1 145 5 4 -3 42.027 84.054 1.15056 15.4 4.1 3.7 6.1 146 4 2 -5 42.092 84.184 1.14912 16.0 4.2 3.9 6.1 147 2 7 2 42.218 84.436 1.14633 12.6 3.3 3.1 6.1 148 2 1 4 42.36 84.72 1.14321 9.5 2.5 2.3 6.1 149 4 2 2 42.476 84.952 1.14068 9.7 2.6 2.4 6.1 150 3 6 -4 42.619 85.238 1.13758 16.2 4.3 3.9 6.1 151 4 5 -4 42.671 85.341 1.13647 5.7 1.5 1.4 6.1 152 3 4 -5 43.113 86.226 1.12707 26.9 7.1 6.5 6.1 153 0 6 4 43.393 86.787 1.12122 20.6 5.4 5.0 6.1 154 4 3 -5 43.642 87.283 1.11611 7.5 2.0 1.8 6.2 155 3 8 -2 43.896 87.792 1.11095 4.6 1.2 1.1 6.2 156 1 5 4 43.96 87.921 1.10966 3.9 1.0 0.9 6.2 157 1 9 1 44.067 88.134 1.10752 21.9 5.8 5.3 6.2 158 3 6 2 44.36 88.719 1.10172 9.3 2.4 2.2 6.2 159 5 5 -1 44.453 88.906 1.09989 10.1 2.7 2.4 6.2 160 6 0 -2 44.591 89.183 1.09719 6.9 1.8 1.7 6.2 161 2 6 3 44.698 89.396 1.09513 5.5 1.5 1.3 6.2 162 1 9 -2 44.772 89.544 1.0937 5.4 1.4 1.3 6.2 163 6 1 -2 44.901 89.801 1.09124 4.5 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) |