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 *** *********************** JOURAVSKITE 1 Ca(3)Mn[SO(4)][CO(3)][OH](6).12[H(2)O] Hexagonal P 6(3) Z = 2 P6(3) 24 .3 .1988 Ref.Str.: Granger M.M., Protas J. (1969) * Acta Cryst., B25, 1943-1951 Initial data from BDM-file Lattice parameters (cub. angs.,degr.): a = 11.06 alpha = 90.0 b = 11.06 beta = 90.0 c = 10.5 gamma = 120.0 Unit cell volume (cub. angs.) = 1112.32 Molar volume ( cub.cm/mol.) = 335.0 Co-ordinates, thermal parameters, occupation for atomic positions: NoP x/a y/b z/c B(j) atom / occupation 1 0.0 0.0 0.0435 0.0 Mn = 1.00 2 0.3333 0.6667 0.0 0.0 C = 1.00 3 0.3333 0.6667 0.5345 0.0 S = 1.00 4 0.3333 0.6667 0.3867 0.0 O = 1.00 5 0.0024 0.2049 0.7936 0.0 Ca = 1.00 6 0.1963 0.6289 0.0 0.0 O = 1.00 7 0.1937 0.5881 0.5763 0.0 O = 1.00 8 0.0045 0.1356 0.4319 0.0 O = 1.00 9 0.1356 0.1355 0.6479 0.0 O = 1.00 10 0.0179 0.3452 0.9834 0.0 O = 1.00 11 0.9859 0.3327 0.6148 0.0 O = 1.00 12 0.2531 0.4037 0.7809 0.0 O = 1.00 13 0.3987 0.2396 0.7897 0.0 O = 1.00 Co-ordinates for all atomic positions : No NoP x/a y/b z/c 1 1 0.0 0.0 0.0435 2 2 0.3333 0.6667 0.0 3 3 0.3333 0.6667 0.5345 4 4 0.3333 0.6667 0.3867 5 5 0.0024 0.2049 0.7936 6 6 0.1963 0.6289 0.0 7 7 0.1937 0.5881 0.5763 8 8 0.0045 0.1356 0.4319 9 9 0.1356 0.1355 0.6479 10 10 0.0179 0.3452 0.9834 11 11 0.9859 0.3327 0.6148 12 12 0.2531 0.4037 0.7809 13 13 0.3987 0.2396 0.7897 14 5 0.7951 0.7975 0.7936 15 5 0.2025 0.9976 0.7936 16 6 0.3711 0.5674 0.0 17 6 0.4326 0.8037 0.0 18 7 0.4119 0.6056 0.5763 19 7 0.3944 0.8063 0.5763 20 8 0.8644 0.8689 0.4319 21 8 0.1311 0.9955 0.4319 22 9 0.8645 0.0 0.6479 23 9 0.0 0.8644 0.6479 24 10 0.6548 0.6727 0.9834 25 10 0.3273 0.9821 0.9834 26 11 0.6673 0.6532 0.6148 27 11 0.3468 0.0141 0.6148 28 12 0.5963 0.8494 0.7809 29 12 0.1506 0.7469 0.7809 30 13 0.7604 0.1591 0.7897 31 13 0.8409 0.6013 0.7897 32 1 0.0 0.0 0.5435 33 2 0.6667 0.3333 0.5 34 3 0.6667 0.3333 0.0345 35 4 0.6667 0.3333 0.8867 36 5 0.9976 0.7951 0.2936 37 6 0.8037 0.3711 0.5 38 7 0.8063 0.4119 0.0763 39 8 0.9955 0.8644 0.9319 40 9 0.8644 0.8645 0.1479 41 10 0.9821 0.6548 0.4834 42 11 0.0141 0.6673 0.1148 43 12 0.7469 0.5963 0.2809 44 13 0.6013 0.7604 0.2897 45 5 0.2049 0.2025 0.2936 46 5 0.7975 0.0024 0.2936 47 6 0.6289 0.4326 0.5 48 6 0.5674 0.1963 0.5 49 7 0.5881 0.3944 0.0763 50 7 0.6056 0.1937 0.0763 51 8 0.1356 0.1311 0.9319 52 8 0.8689 0.0045 0.9319 53 9 0.1355 0.0 0.1479 54 9 0.0 0.1356 0.1479 55 10 0.3452 0.3273 0.4834 56 10 0.6727 0.0179 0.4834 57 11 0.3327 0.3468 0.1148 58 11 0.6532 0.9859 0.1148 59 12 0.4037 0.1506 0.2809 60 12 0.8494 0.2531 0.2809 61 13 0.2396 0.8409 0.2897 62 13 0.1591 0.3987 0.2897 X-ray density (g/cm cub.) = 1.85 MU (1/cm) = 127.293 Mass attenuation coefficient (cm**2/g) = 68.873 Selected interatomic distances (cation-anion,anion-anion): NoP Atom Rad.sph. C.N. Distance NoP N. (angs.) (angs.) 1 Mn 2.724 6 1.8842 8 1.8572 9 1.8842 8 1.8843 8 1.8568 9 1.8576 9 2 C 1.872 3 1.3558 6 1.3561 6 1.3559 6 3 S 1.98 4 1.5519 4 1.4109 7 1.4111 7 1.4109 7 4 O 3.264 6 2.4003 7 2.4004 7 2.4003 7 2.797 13 2.797 13 2.797 13 5 Ca 2.88 8 2.4961 9 2.4785 10 2.4112 11 2.5385 12 2.5191 9 2.4629 13 2.4794 8 2.4349 8 6 O 3.264 5 2.7528 10 2.3485 6 2.3485 6 2.8126 12 2.5593 11 7 O 3.264 7 2.4003 4 2.633 11 3.2475 12 2.3226 7 2.3226 7 2.9604 12 2.9494 10 8 O 3.264 8 2.6922 9 2.9885 11 2.5557 8 2.5557 8 2.7328 9 2.9824 9 3.0619 12 2.9402 13 9 O 3.264 9 2.6922 8 2.9297 12 2.9427 13 2.7326 8 2.5967 9 2.5967 9 3.243 11 2.9824 8 2.8178 10 10 O 3.264 5 2.7528 6 3.166 12 3.2592 13 2.9494 7 2.8174 9 11 O 3.264 6 2.633 7 2.9885 8 3.1735 12 3.2439 9 2.9139 13 2.5593 6 12 O 3.264 8 3.2475 7 2.9297 9 3.166 10 3.1735 11 2.9696 13 2.8126 6 2.9604 7 3.0617 8 13 O 3.264 6 2.9427 9 2.9696 12 3.2592 10 2.9139 11 2.797 4 2.9402 8 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 1 0 0 4.613 9.225 0.052 306.26 6 103.0 1577.1 2 1 0 1 6.249 12.498 0.071 165.82 12 22.7 82.8 3 1 1 0 8.007 16.014 0.09 100.14 6 105.4 539.6 4 0 0 2 8.437 16.874 0.095 89.97 2 41.4 24.9 5 1 1 1 9.058 18.115 0.102 77.77 12 39.4 116.9 6 2 0 0 9.256 18.511 0.104 74.38 6 15.2 8.4 7 1 0 2 9.632 19.263 0.109 68.52 12 41.2 112.9 8 2 0 1 10.182 20.364 0.115 61.08 12 29.9 53.1 9 1 1 2 11.672 23.344 0.131 45.98 12 117.7 617.7 10 1 2 0 12.285 24.57 0.138 41.3 6 14.7 4.3 11 2 1 0 12.285 24.57 0.138 41.3 6 0.7 0.0 12 2 0 2 12.574 25.149 0.141 39.33 12 79.7 242.3 13 1 2 1 13.007 26.013 0.146 36.63 12 73.5 191.8 14 2 1 1 13.007 26.013 0.146 36.63 12 48.1 82.1 15 1 0 3 13.551 27.102 0.152 33.58 12 35.6 41.4 16 3 0 0 13.961 27.922 0.157 31.52 6 99.1 150.3 17 3 0 1 14.606 29.211 0.164 28.63 12 11.1 3.4 18 1 2 2 14.978 29.957 0.168 27.13 12 21.0 11.6 19 2 1 2 14.978 29.957 0.168 27.13 12 26.4 18.3 20 1 1 3 15.097 30.194 0.169 26.67 12 28.9 21.6 21 2 0 3 15.818 31.637 0.177 24.13 12 22.7 12.1 22 2 2 0 16.176 32.351 0.181 22.99 6 18.6 3.9 23 3 0 2 16.402 32.803 0.183 22.31 12 134.4 390.9 24 2 2 1 16.743 33.486 0.187 21.34 12 22.7 10.6 25 1 3 0 16.855 33.711 0.188 21.03 6 21.7 4.8 26 3 1 0 16.855 33.711 0.188 21.03 6 0.7 0.0 27 0 0 4 17.064 34.128 0.19 20.47 2 185.3 113.6 28 1 3 1 17.403 34.806 0.194 19.61 12 37.5 26.7 29 3 1 1 17.403 34.806 0.194 19.61 12 55.9 59.4 30 1 0 4 17.714 35.427 0.197 18.87 12 10.2 1.9 31 1 2 3 17.825 35.651 0.199 18.61 12 90.3 147.2 32 2 1 3 17.825 35.651 0.199 18.61 12 96.6 168.4 33 2 2 2 18.352 36.704 0.204 17.46 12 37.6 24.0 34 4 0 0 18.764 37.529 0.209 16.63 6 5.1 0.2 35 1 1 4 18.955 37.91 0.211 16.26 12 28.2 12.5 36 1 3 2 18.963 37.927 0.211 16.24 12 66.4 69.5 37 3 1 2 18.963 37.927 0.211 16.24 12 59.5 55.8 38 3 0 3 19.06 38.12 0.212 16.06 12 13.9 3.0 39 4 0 1 19.265 38.53 0.214 15.69 12 12.5 2.4 40 2 0 4 19.55 39.1 0.217 15.18 12 31.3 14.5 41 2 3 0 20.52 41.041 0.228 13.63 6 59.7 23.6 42 3 2 0 20.52 41.041 0.228 13.63 6 45.2 13.5 43 4 0 2 20.705 41.41 0.23 13.36 12 43.5 24.5 44 2 2 3 20.795 41.59 0.23 13.23 12 142.1 259.2 45 2 3 1 20.986 41.971 0.232 12.97 12 60.2 45.5 46 3 2 1 20.986 41.971 0.232 12.97 12 81.6 83.8 47 1 2 4 21.251 42.503 0.235 12.61 12 16.2 3.2 48 2 1 4 21.251 42.503 0.235 12.61 12 21.0 5.4 49 1 3 3 21.347 42.695 0.236 12.48 12 83.5 84.4 50 3 1 3 21.347 42.695 0.236 12.48 12 83.8 85.0 51 1 4 0 21.625 43.25 0.239 12.12 6 59.7 20.9 52 4 1 0 21.625 43.25 0.239 12.12 6 51.0 15.3 53 1 0 5 22.056 44.112 0.244 11.6 12 54.7 33.6 54 1 4 1 22.071 44.143 0.244 11.58 12 15.6 2.7 55 4 1 1 22.071 44.143 0.244 11.58 12 33.1 12.3 56 3 0 4 22.327 44.653 0.247 11.28 12 23.9 6.3 57 2 3 2 22.334 44.668 0.247 11.27 12 49.5 26.8 58 3 2 2 22.334 44.668 0.247 11.27 12 68.2 50.9 59 4 0 3 22.94 45.879 0.253 10.61 12 34.8 12.5 60 1 1 5 23.101 46.203 0.255 10.45 12 62.3 39.3 61 1 4 2 23.37 46.739 0.257 10.18 12 45.2 20.1 62 4 1 2 23.37 46.739 0.257 10.18 12 35.5 12.4 63 2 0 5 23.61 47.221 0.26 9.94 12 31.7 9.7 64 5 0 0 23.709 47.419 0.261 9.85 6 168.3 135.3 65 2 2 4 23.867 47.734 0.263 9.7 12 46.2 20.0 66 5 0 1 24.125 48.251 0.265 9.47 12 26.8 6.6 67 1 3 4 24.364 48.728 0.268 9.26 12 56.6 28.8 68 3 1 4 24.364 48.728 0.268 9.26 12 48.3 20.9 69 2 3 3 24.45 48.9 0.269 9.18 12 17.8 2.8 70 3 2 3 24.45 48.9 0.269 9.18 12 15.8 2.2 71 3 3 0 24.7 49.401 0.271 8.97 6 52.6 12.0 72 1 2 5 25.09 50.18 0.275 8.66 12 60.4 30.6 73 2 1 5 25.09 50.18 0.275 8.66 12 70.4 41.6 74 3 3 1 25.104 50.208 0.275 8.65 12 94.2 74.4 75 2 4 0 25.185 50.37 0.276 8.58 6 40.8 6.9 76 4 2 0 25.185 50.37 0.276 8.58 6 21.3 1.9 77 5 0 2 25.343 50.685 0.278 8.46 12 36.0 10.6 78 1 4 3 25.42 50.839 0.279 8.41 12 25.6 5.4 79 4 1 3 25.42 50.839 0.279 8.41 12 17.7 2.6 80 2 4 1 25.583 51.166 0.28 8.28 12 46.7 17.5 81 4 2 1 25.583 51.166 0.28 8.28 12 46.7 17.6 82 4 0 4 25.812 51.623 0.283 8.12 12 63.8 32.1 83 3 0 5 26.042 52.084 0.285 7.95 12 24.2 4.5 84 0 0 6 26.114 52.228 0.286 7.9 2 130.3 21.7 85 3 3 2 26.288 52.576 0.287 7.79 12 98.7 73.6 86 1 0 6 26.58 53.16 0.29 7.59 12 42.9 13.5 87 1 5 0 26.6 53.2 0.291 7.58 6 47.2 8.2 88 5 1 0 26.6 53.2 0.291 7.58 6 44.8 7.4 89 2 4 2 26.752 53.503 0.292 7.48 12 39.5 11.3 90 4 2 2 26.752 53.503 0.292 7.48 12 31.9 7.4 91 1 5 1 26.983 53.966 0.295 7.34 12 30.8 6.8 92 5 1 1 26.983 53.966 0.295 7.34 12 37.1 9.8 93 2 3 4 27.203 54.407 0.297 7.2 12 23.8 3.9 94 3 2 4 27.203 54.407 0.297 7.2 12 20.6 3.0 95 5 0 3 27.283 54.566 0.298 7.15 12 10.3 0.7 96 2 2 5 27.426 54.851 0.299 7.07 12 10.2 0.7 97 1 1 6 27.495 54.99 0.3 7.03 12 83.6 47.7 98 1 3 5 27.876 55.753 0.304 6.81 12 67.4 30.0 99 3 1 5 27.876 55.753 0.304 6.81 12 57.9 22.1 100 2 0 6 27.945 55.89 0.304 6.78 12 41.5 11.3 101 1 4 4 28.105 56.21 0.306 6.69 12 95.2 58.8 102 4 1 4 28.105 56.21 0.306 6.69 12 89.3 51.8 103 1 5 2 28.111 56.222 0.306 6.69 12 28.1 5.1 104 5 1 2 28.111 56.222 0.306 6.69 12 31.5 6.4 105 3 3 3 28.183 56.365 0.307 6.65 12 26.2 4.4 106 2 4 3 28.626 57.251 0.311 6.42 12 8.7 0.5 107 4 2 3 28.626 57.251 0.311 6.42 12 12.3 0.9 108 6 0 0 28.85 57.7 0.313 6.3 6 137.2 57.5 109 4 0 5 29.201 58.402 0.317 6.13 12 20.6 2.5 110 6 0 1 29.213 58.427 0.317 6.13 12 4.4 0.1 111 1 2 6 29.268 58.535 0.317 6.1 12 30.7 5.6 112 2 1 6 29.268 58.535 0.317 6.1 12 28.9 5.0 113 3 4 0 29.286 58.573 0.318 6.09 6 36.2 3.9 114 4 3 0 29.286 58.573 0.318 6.09 6 31.7 3.0 115 3 4 1 29.646 59.293 0.321 5.93 12 33.1 6.3 116 4 3 1 29.646 59.293 0.321 5.93 12 47.8 13.2 117 5 0 4 29.854 59.707 0.323 5.84 12 131.5 97.8 118 1 5 3 29.929 59.857 0.324 5.8 12 20.8 2.4 119 5 1 3 29.929 59.857 0.324 5.8 12 16.2 1.5 120 3 0 6 30.129 60.257 0.326 5.72 12 50.4 14.1 121 2 5 0 30.147 60.294 0.326 5.71 6 20.8 1.2 122 5 2 0 30.147 60.294 0.326 5.71 6 25.5 1.8 123 6 0 2 30.287 60.574 0.327 5.65 12 55.8 17.0 124 2 3 5 30.489 60.977 0.329 5.57 12 20.1 2.2 125 3 2 5 30.489 60.977 0.329 5.57 12 25.5 3.5 126 2 5 1 30.501 61.002 0.329 5.56 12 12.7 0.9 127 5 2 1 30.501 61.002 0.329 5.56 12 10.9 0.6 128 3 3 4 30.705 61.409 0.331 5.48 12 25.6 3.5 129 3 4 2 30.711 61.421 0.332 5.48 12 25.0 3.3 130 4 3 2 30.711 61.421 0.332 5.48 12 34.7 6.4 131 2 4 4 31.125 62.25 0.336 5.32 12 47.8 11.8 132 4 2 4 31.125 62.25 0.336 5.32 12 44.2 10.1 133 1 0 7 31.317 62.635 0.337 5.25 12 36.8 6.9 134 1 4 5 31.329 62.659 0.338 5.24 12 22.5 2.6 135 4 1 5 31.329 62.659 0.338 5.24 12 69.6 24.6 136 2 2 6 31.393 62.787 0.338 5.22 12 93.4 44.2 137 2 5 2 31.548 63.096 0.34 5.16 12 53.2 14.2 138 5 2 2 31.548 63.096 0.34 5.16 12 63.1 19.9 139 1 3 6 31.809 63.617 0.342 5.07 12 38.1 7.1 140 3 1 6 31.809 63.617 0.342 5.07 12 45.0 10.0 141 1 6 0 31.826 63.653 0.342 5.07 6 33.0 2.7 142 6 1 0 31.826 63.653 0.342 5.07 6 18.9 0.9 143 6 0 3 32.028 64.057 0.344 5.0 12 17.0 1.4 144 1 1 7 32.146 64.292 0.345 4.96 12 4.4 0.1 145 1 6 1 32.17 64.339 0.346 4.95 12 11.6 0.6 146 6 1 1 32.17 64.339 0.346 4.95 12 13.0 0.8 147 1 5 4 32.367 64.735 0.348 4.88 12 39.4 7.4 148 5 1 4 32.367 64.735 0.348 4.88 12 40.1 7.6 149 3 4 3 32.439 64.878 0.348 4.86 12 29.6 4.1 150 4 3 3 32.439 64.878 0.348 4.86 12 31.6 4.7 151 2 0 7 32.556 65.111 0.349 4.82 12 25.7 3.1 152 5 0 5 32.975 65.949 0.353 4.69 12 13.2 0.8 153 4 0 6 33.037 66.074 0.354 4.67 12 8.1 0.3 154 1 6 2 33.187 66.375 0.355 4.63 12 60.2 16.2 155 6 1 2 33.187 66.375 0.355 4.63 12 55.7 13.9 156 2 5 3 33.252 66.504 0.356 4.61 12 56.4 14.2 157 5 2 3 33.252 66.504 0.356 4.61 12 47.1 9.9 158 1 2 7 33.77 67.539 0.361 4.46 12 29.1 3.7 159 2 1 7 33.77 67.539 0.361 4.46 12 45.8 9.1 160 3 3 5 33.781 67.562 0.361 4.46 12 56.3 13.7 161 4 4 0 33.86 67.72 0.362 4.44 6 25.9 1.4 162 2 4 5 34.181 68.362 0.365 4.35 12 22.3 2.1 163 4 2 5 34.181 68.362 0.365 4.35 12 28.4 3.4 164 4 4 1 34.192 68.385 0.365 4.35 12 34.1 4.9 165 2 3 6 34.242 68.484 0.365 4.33 12 52.7 11.7 166 3 2 6 34.242 68.484 0.365 4.33 12 56.9 13.6 167 3 5 0 34.259 68.519 0.365 4.33 6 2.2 0.0 168 5 3 0 34.259 68.519 0.365 4.33 6 11.3 0.3 169 7 0 0 34.259 68.519 0.365 4.33 6 39.8 3.3 170 6 0 4 34.384 68.768 0.367 4.3 12 28.2 3.3 171 3 0 7 34.567 69.134 0.368 4.25 12 15.4 1.0 172 3 5 1 34.59 69.18 0.369 4.25 12 45.0 8.3 173 5 3 1 34.59 69.18 0.369 4.25 12 23.4 2.2 174 7 0 1 34.59 69.18 0.369 4.25 12 8.1 0.3 175 3 4 4 34.781 69.561 0.37 4.2 12 9.4 0.4 176 4 3 4 34.781 69.561 0.37 4.2 12 16.3 1.1 177 1 6 3 34.85 69.7 0.371 4.18 12 12.1 0.6 178 6 1 3 34.85 69.7 0.371 4.18 12 17.1 1.2 179 1 4 6 35.034 70.069 0.373 4.14 12 24.7 2.5 180 4 1 6 35.034 70.069 0.373 4.14 12 31.8 4.0 181 4 4 2 35.181 70.362 0.374 4.1 12 61.1 14.9 182 1 5 5 35.367 70.735 0.376 4.06 12 11.8 0.5 183 5 1 5 35.367 70.735 0.376 4.06 12 21.7 1.9 184 2 6 0 35.445 70.889 0.376 4.04 6 0.8 0.0 185 6 2 0 35.445 70.889 0.376 4.04 6 6.6 0.1 186 2 5 4 35.568 71.135 0.378 4.01 12 18.0 1.3 187 5 2 4 35.568 71.135 0.378 4.01 12 23.1 2.1 188 3 5 2 35.573 71.147 0.378 4.01 12 23.3 2.1 189 5 3 2 35.573 71.147 0.378 4.01 12 25.1 2.4 190 7 0 2 35.573 71.147 0.378 4.01 12 23.7 2.2 191 2 2 7 35.748 71.496 0.379 3.97 12 21.1 1.7 192 2 6 1 35.77 71.541 0.379 3.97 12 76.1 22.3 193 6 2 1 35.77 71.541 0.379 3.97 12 64.1 15.8 194 0 0 8 35.936 71.872 0.381 3.93 2 119.5 9.1 195 1 3 7 36.138 72.275 0.383 3.89 12 31.8 3.8 196 3 1 7 36.138 72.275 0.383 3.89 12 27.6 2.9 197 1 0 8 36.325 72.65 0.385 3.85 12 75.0 21.0 198 5 0 6 36.596 73.193 0.387 3.8 12 59.7 13.1 199 2 6 2 36.74 73.48 0.388 3.77 12 51.4 9.7 200 6 2 2 36.74 73.48 0.388 3.77 12 42.7 6.7 201 4 4 3 36.802 73.605 0.389 3.76 12 86.7 27.4 202 1 1 8 37.098 74.196 0.392 3.7 12 46.9 7.9 203 1 6 4 37.12 74.241 0.392 3.7 12 17.4 1.1 204 6 1 4 37.12 74.241 0.392 3.7 12 28.4 2.9 205 3 5 3 37.188 74.376 0.392 3.69 12 19.9 1.4 206 5 3 3 37.188 74.376 0.392 3.69 12 8.8 0.3 207 7 0 3 37.188 74.376 0.392 3.69 12 5.1 0.1 208 4 0 7 37.298 74.595 0.393 3.67 12 36.9 4.8 209 6 0 5 37.309 74.617 0.393 3.66 12 15.8 0.9 210 3 3 6 37.368 74.735 0.394 3.65 12 54.1 10.4 211 1 7 0 37.384 74.768 0.394 3.65 6 51.4 4.7 212 7 1 0 37.384 74.768 0.394 3.65 6 50.0 4.4 213 2 0 8 37.483 74.965 0.395 3.63 12 12.3 0.5 214 3 4 5 37.692 75.384 0.397 3.6 12 34.0 4.0 215 4 3 5 37.692 75.384 0.397 3.6 12 26.4 2.4 216 1 7 1 37.703 75.406 0.397 3.59 12 59.0 12.1 217 7 1 1 37.703 75.406 0.397 3.59 12 59.4 12.3 218 2 4 6 37.751 75.502 0.397 3.59 12 16.4 0.9 219 4 2 6 37.751 75.502 0.397 3.59 12 28.5 2.8 220 2 6 3 38.336 76.672 0.403 3.49 12 50.4 8.6 221 6 2 3 38.336 76.672 0.403 3.49 12 38.9 5.1 222 2 3 7 38.445 76.889 0.404 3.47 12 71.0 17.0 223 3 2 7 38.445 76.889 0.404 3.47 12 39.2 5.2 224 2 5 5 38.456 76.911 0.404 3.47 12 26.6 2.4 225 5 2 5 38.456 76.911 0.404 3.47 12 10.7 0.4 226 1 2 8 38.628 77.256 0.405 3.44 12 12.1 0.5 227 2 1 8 38.628 77.256 0.405 3.44 12 9.3 0.3 228 1 7 2 38.655 77.31 0.405 3.44 12 51.6 8.9 229 7 1 2 38.655 77.31 0.405 3.44 12 67.5 15.2 230 1 5 6 38.894 77.787 0.408 3.4 12 22.7 1.7 231 5 1 6 38.894 77.787 0.408 3.4 12 23.6 1.8 232 4 5 0 38.91 77.82 0.408 3.4 6 30.8 1.6 233 5 4 0 38.91 77.82 0.408 3.4 6 20.3 0.7 234 4 4 4 39.029 78.058 0.409 3.39 12 47.4 7.4 235 1 4 7 39.203 78.407 0.41 3.36 12 17.8 1.0 236 4 1 7 39.203 78.407 0.41 3.36 12 33.4 3.6 237 4 5 1 39.225 78.45 0.41 3.36 12 29.5 2.8 238 5 4 1 39.225 78.45 0.41 3.36 12 18.6 1.1 239 3 0 8 39.385 78.771 0.412 3.34 12 28.2 2.6 240 3 5 4 39.407 78.814 0.412 3.33 12 16.0 0.8 241 5 3 4 39.407 78.814 0.412 3.33 12 17.7 1.0 242 7 0 4 39.407 78.814 0.412 3.33 12 16.9 0.9 243 3 6 0 39.666 79.332 0.414 3.3 6 95.4 14.6 244 6 3 0 39.666 79.332 0.414 3.3 6 119.2 22.7 245 1 6 5 39.969 79.937 0.417 3.26 12 16.2 0.8 246 6 1 5 39.969 79.937 0.417 3.26 12 19.1 1.2 247 3 6 1 39.98 79.959 0.417 3.26 12 41.9 5.6 248 6 3 1 39.98 79.959 0.417 3.26 12 34.7 3.8 249 8 0 0 40.043 80.085 0.418 3.25 6 43.6 3.0 250 4 5 2 40.166 80.332 0.419 3.23 12 25.5 2.0 251 5 4 2 40.166 80.332 0.419 3.23 12 35.2 3.9 252 1 7 3 40.227 80.453 0.419 3.23 12 16.8 0.9 253 7 1 3 40.227 80.453 0.419 3.23 12 24.3 1.8 254 8 0 1 40.355 80.711 0.42 3.21 12 18.1 1.0 255 2 2 8 40.515 81.029 0.422 3.19 12 33.7 3.5 256 2 6 4 40.536 81.073 0.422 3.19 12 28.0 2.4 257 6 2 4 40.536 81.073 0.422 3.19 12 19.6 1.2 258 5 0 7 40.709 81.418 0.423 3.17 12 13.6 0.6 259 6 0 6 40.777 81.554 0.424 3.16 12 21.5 1.4 260 1 3 8 40.889 81.779 0.425 3.15 12 12.1 0.4 261 3 1 8 40.889 81.779 0.425 3.15 12 18.8 1.1 262 3 6 2 40.916 81.833 0.425 3.15 12 60.9 11.3 263 6 3 2 40.916 81.833 0.425 3.15 12 56.6 9.8 264 3 4 6 41.151 82.303 0.427 3.12 12 39.6 4.8 265 4 3 6 41.151 82.303 0.427 3.12 12 42.5 5.5 266 2 7 0 41.168 82.335 0.427 3.12 6 20.0 0.6 267 7 2 0 41.168 82.335 0.427 3.12 6 19.1 0.5 268 8 0 2 41.29 82.581 0.428 3.11 12 12.0 0.4 269 3 3 7 41.457 82.914 0.43 3.09 12 65.1 12.7 270 2 7 1 41.479 82.957 0.43 3.09 12 40.9 5.0 271 7 2 1 41.479 82.957 0.43 3.09 12 34.1 3.5 272 1 0 9 41.692 83.383 0.432 3.07 12 23.1 1.6 273 4 5 3 41.724 83.447 0.432 3.06 12 17.9 1.0 274 5 4 3 41.724 83.447 0.432 3.06 12 39.7 4.7 275 2 4 7 41.83 83.66 0.433 3.05 12 36.0 3.8 276 4 2 7 41.83 83.66 0.433 3.05 12 49.5 7.3 277 4 4 5 41.841 83.682 0.433 3.05 12 28.6 2.4 278 2 5 6 41.898 83.796 0.433 3.05 12 70.0 14.5 279 5 2 6 41.898 83.796 0.433 3.05 12 72.3 15.5 280 4 0 8 42.01 84.02 0.434 3.04 12 46.4 6.4 281 3 5 5 42.213 84.427 0.436 3.02 12 25.7 1.9 282 5 3 5 42.213 84.427 0.436 3.02 12 18.7 1.0 283 7 0 5 42.213 84.427 0.436 3.02 12 16.6 0.8 284 1 7 4 42.404 84.807 0.438 3.0 12 3.5 0.0 285 7 1 4 42.404 84.807 0.438 3.0 12 18.0 0.9 286 2 7 2 42.409 84.818 0.438 3.0 12 40.7 4.8 287 7 2 2 42.409 84.818 0.438 3.0 12 36.8 4.0 288 1 1 9 42.437 84.873 0.438 3.0 12 2.7 0.0 289 3 6 3 42.469 84.937 0.438 3.0 12 13.3 0.5 290 6 3 3 42.469 84.937 0.438 3.0 12 11.7 0.4 291 2 0 9 42.808 85.617 0.441 2.97 12 7.5 0.2 292 8 0 3 42.84 85.681 0.441 2.97 12 3.0 0.0 293 1 5 7 42.947 85.893 0.442 2.96 12 42.1 5.1 294 5 1 7 42.947 85.893 0.442 2.96 12 19.6 1.1 295 2 3 8 43.126 86.251 0.444 2.94 12 22.7 1.5 296 3 2 8 43.126 86.251 0.444 2.94 12 24.0 1.6 297 2 6 5 43.329 86.657 0.445 2.93 12 54.9 8.6 298 6 2 5 43.329 86.657 0.445 2.93 12 67.3 12.9 299 1 6 6 43.385 86.771 0.446 2.93 12 21.1 1.3 300 6 1 6 43.385 86.771 0.446 2.93 12 28.2 2.3 301 1 8 0 43.402 86.803 0.446 2.92 6 49.9 3.5 302 8 1 0 43.402 86.803 0.446 2.92 6 29.0 1.2 303 1 8 1 43.71 87.421 0.449 2.9 12 34.0 3.3 304 8 1 1 43.71 87.421 0.449 2.9 12 27.2 2.1 305 1 4 8 43.868 87.735 0.45 2.89 12 86.1 20.8 306 4 1 8 43.868 87.735 0.45 2.89 12 79.9 17.9 307 4 5 4 43.889 87.778 0.45 2.89 12 60.1 10.1 308 5 4 4 43.889 87.778 0.45 2.89 12 54.6 8.3 309 1 2 9 43.922 87.844 0.45 2.89 12 54.3 8.3 310 2 1 9 43.922 87.844 0.45 2.89 12 39.1 4.3 311 2 7 3 43.954 87.908 0.451 2.89 12 44.0 5.4 312 7 2 3 43.954 87.908 0.451 2.89 12 35.9 3.6 313 5 5 0 44.143 88.287 0.452 2.88 6 84.2 9.9 314 5 5 1 44.452 88.904 0.455 2.86 12 27.4 2.1 315 4 6 0 44.514 89.028 0.455 2.85 6 17.4 0.4 316 6 4 0 44.514 89.028 0.455 2.85 6 19.7 0.5 317 3 6 4 44.63 89.261 0.456 2.85 12 47.0 6.1 318 6 3 4 44.63 89.261 0.456 2.85 12 68.7 13.0 319 1 8 2 44.636 89.271 0.456 2.85 12 38.2 4.0 320 8 1 2 44.636 89.271 0.456 2.85 12 43.6 5.2 321 3 0 9 44.663 89.327 0.456 2.85 12 14.8 0.6 322 6 0 7 44.801 89.602 0.457 2.84 12 18.5 0.9 323 4 6 1 44.822 89.645 0.458 2.84 12 28.3 2.2 324 6 4 1 44.822 89.645 0.458 2.84 12 21.8 1.3 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 1 0 0 4.613 9.225 9.57824 1577.1 100.0 100.0 5.6 2 1 0 1 6.249 12.498 7.07632 82.8 5.2 5.2 5.6 3 1 1 0 8.007 16.014 5.53 539.6 34.2 34.1 5.6 4 0 0 2 8.437 16.874 5.25 24.9 1.6 1.6 5.6 5 1 1 1 9.058 18.115 4.89289 116.9 7.4 7.4 5.6 6 1 0 2 9.632 19.263 4.60379 112.9 7.2 7.1 5.6 7 2 0 1 10.182 20.364 4.35729 53.1 3.4 3.3 5.6 8 1 1 2 11.672 23.344 3.80745 617.7 39.2 38.8 5.6 9 2 0 2 12.574 25.149 3.53816 242.3 15.4 15.2 5.6 10 1 2 1 13.007 26.013 3.42252 273.9 17.4 17.2 5.6 11 1 0 3 13.551 27.102 3.2874 41.4 2.6 2.6 5.6 12 3 0 0 13.961 27.922 3.19275 150.3 9.5 9.4 5.6 13 2 1 2 14.978 29.957 2.98034 29.9 1.9 1.9 5.6 14 1 1 3 15.097 30.194 2.95743 21.6 1.4 1.3 5.6 15 3 0 2 16.402 32.803 2.72791 390.9 24.8 24.4 5.6 16 0 0 4 17.064 34.128 2.625 113.6 7.2 7.1 5.7 17 3 1 1 17.403 34.806 2.57538 86.1 5.5 5.4 5.7 18 2 1 3 17.825 35.651 2.51631 315.5 20.0 19.6 5.7 19 2 2 2 18.352 36.704 2.44644 24.0 1.5 1.5 5.7 20 3 1 2 18.963 37.927 2.37035 137.8 8.7 8.6 5.7 21 2 3 0 20.52 41.041 2.1974 37.1 2.4 2.3 5.7 22 4 0 2 20.705 41.41 2.17864 24.5 1.6 1.5 5.7 23 2 2 3 20.795 41.59 2.16965 259.2 16.4 16.0 5.7 24 3 2 1 20.986 41.971 2.15081 129.3 8.2 8.0 5.7 25 3 1 3 21.347 42.695 2.11604 169.4 10.7 10.5 5.7 26 1 4 0 21.625 43.25 2.09014 36.3 2.3 2.2 5.7 27 1 0 5 22.056 44.112 2.05128 48.7 3.1 3.0 5.7 28 3 2 2 22.334 44.668 2.02701 84.0 5.3 5.2 5.7 29 1 1 5 23.101 46.203 1.96321 39.3 2.5 2.4 5.7 30 1 4 2 23.37 46.739 1.9419 32.6 2.1 2.0 5.7 31 5 0 0 23.709 47.419 1.91565 135.3 8.6 8.3 5.7 32 2 2 4 23.867 47.734 1.90373 20.0 1.3 1.2 5.7 33 1 3 4 24.364 48.728 1.8672 49.7 3.2 3.1 5.7 34 3 3 1 25.104 50.208 1.81557 146.7 9.3 9.0 5.8 35 4 2 1 25.583 51.166 1.78381 35.1 2.2 2.1 5.8 36 4 0 4 25.812 51.623 1.76908 32.1 2.0 2.0 5.8 37 0 0 6 26.114 52.228 1.75 21.7 1.4 1.3 5.8 38 3 3 2 26.288 52.576 1.73924 73.6 4.7 4.5 5.8 39 1 0 6 26.58 53.16 1.7215 29.1 1.8 1.8 5.8 40 2 4 2 26.752 53.503 1.71126 18.7 1.2 1.1 5.8 41 5 1 1 26.983 53.966 1.69767 16.6 1.0 1.0 5.8 42 1 1 6 27.495 54.99 1.66845 47.7 3.0 2.9 5.8 43 1 3 5 27.876 55.753 1.64743 52.2 3.3 3.2 5.8 44 1 4 4 28.105 56.21 1.63512 122.1 7.7 7.4 5.8 45 6 0 0 28.85 57.7 1.59637 57.5 3.6 3.5 5.8 46 1 2 6 29.268 58.535 1.57557 17.4 1.1 1.1 5.8 47 4 3 1 29.646 59.293 1.55724 19.4 1.2 1.2 5.8 48 5 0 4 29.854 59.707 1.54741 97.8 6.2 5.9 5.8 49 3 0 6 30.129 60.257 1.5346 17.1 1.1 1.0 5.8 50 6 0 2 30.287 60.574 1.52733 17.0 1.1 1.0 5.8 51 2 4 4 31.125 62.25 1.49017 21.9 1.4 1.3 5.8 52 4 1 5 31.329 62.659 1.48143 34.1 2.2 2.1 5.8 53 2 2 6 31.393 62.787 1.47872 44.2 2.8 2.7 5.9 54 5 2 2 31.548 63.096 1.47221 34.1 2.2 2.1 5.9 55 3 1 6 31.809 63.617 1.4614 20.7 1.3 1.2 5.9 56 1 6 2 33.187 66.375 1.40722 30.2 1.9 1.8 5.9 57 2 5 3 33.252 66.504 1.40478 24.1 1.5 1.4 5.9 58 3 3 5 33.781 67.562 1.38534 26.4 1.7 1.6 5.9 59 3 2 6 34.242 68.484 1.36892 28.9 1.8 1.7 5.9 60 6 2 1 35.77 71.541 1.31776 39.9 2.5 2.4 5.9 61 1 0 8 36.325 72.65 1.30035 21.0 1.3 1.2 6.0 62 2 6 2 36.74 73.48 1.28769 16.3 1.0 1.0 6.0 63 4 4 3 36.802 73.605 1.28582 27.4 1.7 1.6 6.0 64 3 3 6 37.368 74.735 1.26915 19.5 1.2 1.1 6.0 65 7 1 1 37.703 75.406 1.25951 30.9 2.0 1.8 6.0 66 2 3 7 38.445 76.889 1.23888 24.9 1.6 1.5 6.0 67 7 1 2 38.655 77.31 1.23317 24.1 1.5 1.4 6.0 68 6 3 0 39.666 79.332 1.20675 37.3 2.4 2.2 6.0 69 6 3 2 40.916 81.833 1.17608 22.2 1.4 1.3 6.1 70 3 3 7 41.457 82.914 1.16346 21.2 1.3 1.2 6.1 71 5 2 6 41.898 83.796 1.15345 30.0 1.9 1.7 6.1 72 6 2 5 43.329 86.657 1.12256 21.4 1.4 1.2 6.1 73 1 4 8 43.868 87.735 1.11152 57.2 3.6 3.3 6.2 74 6 3 4 44.63 89.261 1.09644 28.4 1.8 1.6 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) |