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 *** *********************** SHUISKITE 1, t-pumpellyite, s-pumpellyite, ZL Ca(2)(Mg,Cr)(Cr,Al)(2)[SiO(4)][Si(2)O(7)](OH,O)(OH)(2) Monoclinic C 2/m Z = 4 R =0.0301 NR =1924 13 .6 .19 Ref.Str.: Lykova I.S., Varlamov D.A., Chukanov N.V. Pekov I.V., Zubkova N.V. (2018) * Eur. J. Mineral., 30, 1133-1139 L: $Ca2.03 Mg0.46 Al1.03 Cr1.51 Si2.93 O14 H3.48$ R: Locality - the Glavnoe Saranovskoe deposit, Middle Urals, Russia. N.A.D. Initial data from BDM-file Lattice parameters (cub. angs.,degr.): a = 19.2156 alpha = 90.0 b = 5.9779 beta = 97.79 c = 8.8268 gamma = 90.0 Unit cell volume (cub. angs.) = 1004.58 Molar volume ( cub.cm/mol.) = 151.27 Co-ordinates, thermal parameters, occupation for atomic positions: NoP x/a y/b z/c B(j) atom / occupation 1 0.3393 0.5 0.2509 0.0 Ca = 1.00 2 0.1547 0.5 0.1882 0.0 Ca = 1.00 3 0.25 0.25 0.5 0.0 Mg = 0.46, Cr = 0.36, Al = 0.18 4 0.4953 0.2469 0.2541 0.0 Cr = 0.52, Al = 0.48 5 0.091 0.0 0.0509 0.0 Si = 1.00 6 0.2479 0.0 0.1655 0.0 Si = 1.00 7 0.4023 0.0 0.4656 0.0 Si = 1.00 8 0.0729 0.2237 0.1375 0.0 O = 1.00 9 0.2462 0.2298 0.2654 0.0 O = 1.00 10 0.4155 0.2221 0.367 0.0 O = 1.00 11 0.4444 0.5 0.1303 0.0 O = 1.00 12 0.4572 0.0 0.1285 0.0 OH = 1.00 13 0.0448 0.5 0.3703 0.0 O = 1.00 14 0.0342 0.0 0.3724 0.0 OH = 1.00 15 0.1762 0.0 0.0353 0.0 O = 1.00 16 0.176 0.5 0.4759 0.0 O = 1.00 17 0.3134 0.0 0.0668 0.0 O = 1.00 18 0.1845 0.0 0.4975 0.0 O = 1.00 Co-ordinates for all atomic positions : No NoP x/a y/b z/c 1 1 0.3393 0.5 0.2509 2 2 0.1547 0.5 0.1882 3 3 0.25 0.25 0.5 4 4 0.4953 0.2469 0.2541 5 5 0.091 0.0 0.0509 6 6 0.2479 0.0 0.1655 7 7 0.4023 0.0 0.4656 8 8 0.0729 0.2237 0.1375 9 9 0.2462 0.2298 0.2654 10 10 0.4155 0.2221 0.367 11 11 0.4444 0.5 0.1303 12 12 0.4572 0.0 0.1285 13 13 0.0448 0.5 0.3703 14 14 0.0342 0.0 0.3724 15 15 0.1762 0.0 0.0353 16 16 0.176 0.5 0.4759 17 17 0.3134 0.0 0.0668 18 18 0.1845 0.0 0.4975 19 1 0.6607 0.5 0.7491 20 2 0.8453 0.5 0.8118 21 3 0.75 0.75 0.5 22 4 0.5047 0.7531 0.7459 23 5 0.909 0.0 0.9491 24 6 0.7521 0.0 0.8345 25 7 0.5977 0.0 0.5344 26 8 0.927 0.7763 0.8625 27 9 0.7538 0.7702 0.7347 28 10 0.5845 0.7779 0.633 29 11 0.5556 0.5 0.8697 30 12 0.5428 0.0 0.8715 31 13 0.9552 0.5 0.6297 32 14 0.9658 0.0 0.6276 33 15 0.8238 0.0 0.9647 34 16 0.824 0.5 0.5241 35 17 0.6866 0.0 0.9332 36 18 0.8155 0.0 0.5025 37 3 0.25 0.75 0.5 38 4 0.4953 0.7531 0.2541 39 8 0.0729 0.7763 0.1375 40 9 0.2462 0.7702 0.2654 41 10 0.4155 0.7779 0.367 42 3 0.75 0.25 0.5 43 4 0.5047 0.2469 0.7459 44 8 0.927 0.2237 0.8625 45 9 0.7538 0.2298 0.7347 46 10 0.5845 0.2221 0.633 47 1 0.8393 0.0 0.2509 48 2 0.6547 0.0 0.1882 49 4 0.9953 0.2531 0.2541 50 5 0.591 0.5 0.0509 51 6 0.7479 0.5 0.1655 52 7 0.9023 0.5 0.4656 53 8 0.573 0.2763 0.1375 54 9 0.7462 0.2702 0.2654 55 10 0.9155 0.2779 0.367 56 11 0.9444 0.0 0.1303 57 12 0.9572 0.5 0.1285 58 13 0.5448 0.0 0.3703 59 14 0.5342 0.5 0.3724 60 15 0.6762 0.5 0.0353 61 16 0.676 0.0 0.4759 62 17 0.8134 0.5 0.0668 63 18 0.6845 0.5 0.4975 64 1 0.1607 0.0 0.7491 65 2 0.3453 0.0 0.8118 66 4 0.0047 0.7469 0.7459 67 5 0.409 0.5 0.9491 68 6 0.2521 0.5 0.8345 69 7 0.0977 0.5 0.5344 70 8 0.427 0.7237 0.8625 71 9 0.2538 0.7298 0.7347 72 10 0.0845 0.7221 0.633 73 11 0.0556 0.0 0.8697 74 12 0.0428 0.5 0.8715 75 13 0.4552 0.0 0.6297 76 14 0.4658 0.5 0.6276 77 15 0.3238 0.5 0.9647 78 16 0.324 0.0 0.5241 79 17 0.1866 0.5 0.9332 80 18 0.3155 0.5 0.5025 81 4 0.9953 0.7469 0.2541 82 8 0.573 0.7237 0.1375 83 9 0.7462 0.7298 0.2654 84 10 0.9155 0.7221 0.367 85 4 0.0047 0.2531 0.7459 86 8 0.427 0.2763 0.8625 87 9 0.2538 0.2702 0.7347 88 10 0.0845 0.2779 0.633 X-ray density (g/cm cub.) = 3.34 MU (1/cm) = 409.753 Mass attenuation coefficient (cm**2/g) = 122.744 Selected interatomic distances (cation-anion,anion-anion): NoP Atom Rad.sph. C.N. Distance NoP N. (angs.) (angs.) 1 Ca 2.928 7 2.4259 9 2.3551 10 2.4064 11 2.4259 9 2.3551 10 2.5036 15 2.3267 18 2 Ca 2.928 7 2.2818 8 2.4166 9 2.8223 13 2.5167 16 2.2818 8 2.4166 9 2.4119 17 3 Mg ,Cr ,Al 2.676 6 2.0662 9 2.0537 16 1.9527 18 2.0537 16 1.9527 18 2.0662 9 4 Cr ,Al 2.676 6 1.944 10 2.0372 11 1.9292 12 1.9323 8 1.9677 13 1.9311 14 5 Si 2.148 4 1.6016 8 1.6618 15 1.6016 8 1.6511 11 6 Si 2.148 4 1.6349 9 1.6702 15 1.6237 17 1.6349 9 7 Si 2.148 4 1.6258 10 1.6258 10 1.6535 13 1.6563 16 8 O 3.312 9 2.7467 13 2.6568 14 2.6509 15 3.3034 8 2.6745 8 2.8029 11 2.7629 12 2.697 11 2.865 12 9 O 3.312 9 3.255 10 2.6606 15 2.9261 16 2.6899 17 2.8556 18 3.2305 9 2.7474 9 2.9002 16 2.8301 18 10 O 3.312 10 3.255 9 2.7832 11 2.7008 12 2.6554 10 2.8136 13 2.8175 14 2.6913 13 2.8952 14 2.7273 16 2.9156 18 11 O 3.312 10 2.7832 10 2.9994 12 2.9994 12 2.7832 10 2.8029 8 2.5592 14 2.697 8 2.567 15 2.8029 8 2.697 8 12 OH 3.36 11 2.7008 10 2.9994 11 2.9994 11 2.7436 17 2.977 12 2.7008 10 2.7629 8 2.5327 13 2.865 8 2.7629 8 2.865 8 13 O 3.312 11 2.7467 8 2.996 14 2.996 14 2.5674 16 3.045 13 2.7467 8 2.8136 10 2.5327 12 2.6913 10 2.8136 10 2.6913 10 14 OH 3.36 11 2.6568 8 2.996 13 2.996 13 2.9476 18 2.7582 14 2.6568 8 2.8175 10 2.5592 11 2.8952 10 2.8175 10 2.8952 10 15 O 3.312 8 2.6509 8 2.6606 9 2.6117 17 2.6509 8 2.6606 9 2.567 11 3.136 17 3.136 17 16 O 3.312 10 2.9261 9 2.5674 13 2.998 18 2.998 18 2.9261 9 2.9002 9 2.7273 10 2.6595 18 2.9002 9 2.7273 10 17 O 3.312 6 2.6899 9 2.7436 12 2.6117 15 2.6899 9 3.136 15 3.136 15 18 O 3.312 10 2.8556 9 2.9476 14 2.998 16 2.998 16 2.8556 9 2.8301 9 2.9156 10 2.6595 16 2.8301 9 2.9156 10 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 2 0 0 5.392 10.783 0.053 223.55 2 37.3 61.7 2 0 0 1 5.87 11.741 0.057 188.22 2 23.8 21.2 3 2 0 -1 7.422 14.844 0.072 116.91 2 24.2 13.6 4 2 0 1 8.509 17.018 0.083 88.41 2 42.9 32.3 5 1 1 0 9.023 18.046 0.088 78.38 4 3.0 0.3 6 1 1 -1 10.587 21.174 0.103 56.35 4 45.0 45.2 7 4 0 0 10.832 21.664 0.105 53.73 2 118.5 149.4 8 1 1 1 10.992 21.985 0.107 52.11 4 106.3 233.4 9 4 0 -1 11.62 23.24 0.113 46.41 2 56.3 29.2 10 0 0 2 11.803 23.607 0.114 44.92 2 107.0 101.9 11 3 1 0 11.862 23.724 0.115 44.45 4 0.4 0.0 12 2 0 -2 12.311 24.623 0.119 41.12 2 1.8 0.0 13 3 1 -1 12.764 25.527 0.123 38.11 4 44.1 29.4 14 4 0 1 13.05 26.099 0.126 36.37 2 44.6 14.3 15 2 0 2 13.673 27.347 0.132 32.95 2 212.0 293.6 16 3 1 1 13.766 27.531 0.133 32.48 4 36.1 16.8 17 1 1 -2 14.635 29.269 0.141 28.51 4 31.2 11.0 18 4 0 -2 14.972 29.944 0.144 27.15 2 115.2 71.4 19 1 1 2 15.234 30.468 0.147 26.16 4 43.6 19.7 20 3 1 -2 16.033 32.067 0.154 23.43 4 27.8 7.2 21 5 1 0 16.172 32.343 0.156 23.0 4 13.5 1.7 22 6 0 0 16.373 32.746 0.158 22.4 2 9.2 0.4 23 5 1 -1 16.59 33.18 0.16 21.77 4 51.9 23.2 24 6 0 -1 16.652 33.303 0.16 21.59 2 31.4 4.2 25 4 0 2 17.213 34.426 0.165 20.09 2 145.7 84.5 26 0 2 0 17.413 34.826 0.167 19.59 2 133.1 68.7 27 3 1 2 17.648 35.295 0.169 19.02 4 66.9 33.8 28 0 0 3 17.868 35.737 0.172 18.51 2 155.6 88.8 29 5 1 1 17.907 35.814 0.172 18.43 4 264.8 512.0 30 2 0 -3 17.968 35.936 0.172 18.29 2 155.5 87.7 31 6 0 1 18.217 36.435 0.175 17.74 2 45.2 7.2 32 2 2 0 18.28 36.56 0.175 17.61 4 106.6 79.3 33 0 2 1 18.436 36.873 0.177 17.28 4 98.3 66.3 34 6 0 -2 18.971 37.942 0.182 16.23 2 289.1 268.8 35 2 2 -1 19.023 38.046 0.182 16.13 4 76.9 37.8 36 5 1 -2 19.037 38.074 0.182 16.1 4 63.7 25.9 37 2 0 3 19.442 38.883 0.186 15.37 2 71.8 15.7 38 2 2 1 19.502 39.004 0.187 15.27 4 86.5 45.3 39 4 0 -3 19.719 39.437 0.189 14.9 2 27.1 2.2 40 1 1 -3 19.808 39.617 0.189 14.75 4 191.0 213.3 41 1 1 3 20.5 41.0 0.196 13.66 4 53.0 15.2 42 3 1 -3 20.677 41.355 0.197 13.4 4 2.5 0.0 43 4 2 0 20.694 41.387 0.198 13.38 4 240.6 307.1 44 4 2 -1 21.145 42.29 0.202 12.75 4 72.6 26.7 45 7 1 0 21.181 42.361 0.202 12.7 4 24.3 3.0 46 0 2 2 21.253 42.506 0.203 12.6 4 138.4 95.7 47 7 1 -1 21.295 42.59 0.203 12.55 4 173.6 149.8 48 5 1 2 21.341 42.681 0.203 12.49 4 64.5 20.6 49 2 2 -2 21.558 43.117 0.205 12.21 4 99.7 48.0 50 6 0 2 21.718 43.436 0.207 12.01 2 57.7 7.9 51 4 2 1 22.017 44.034 0.21 11.64 4 30.5 4.3 52 8 0 0 22.077 44.154 0.21 11.57 2 42.0 4.0 53 8 0 -1 22.081 44.162 0.21 11.57 2 85.0 16.6 54 4 0 3 22.389 44.779 0.213 11.21 2 10.6 0.2 55 2 2 2 22.418 44.835 0.213 11.18 4 198.6 174.7 56 3 1 3 22.635 45.27 0.215 10.94 4 130.3 73.6 57 7 1 1 22.796 45.592 0.217 10.76 4 42.5 7.7 58 6 0 -3 22.801 45.601 0.217 10.76 2 57.0 6.9 59 5 1 -3 22.962 45.923 0.218 10.59 4 98.0 40.3 60 7 1 -2 23.119 46.237 0.219 10.43 4 21.1 1.8 61 4 2 -2 23.288 46.575 0.221 10.26 4 55.8 12.7 62 8 0 1 23.745 47.49 0.225 9.81 2 46.1 4.1 63 8 0 -2 23.756 47.512 0.225 9.8 2 276.2 148.3 64 2 0 -4 24.027 48.054 0.228 9.55 2 134.6 34.3 65 0 0 4 24.149 48.298 0.229 9.45 2 146.5 40.2 66 6 2 0 24.275 48.55 0.23 9.33 4 116.5 50.2 67 6 2 -1 24.477 48.954 0.232 9.16 4 73.1 19.4 68 4 2 2 24.889 49.778 0.235 8.82 4 205.9 148.2 69 4 0 -4 25.242 50.485 0.238 8.54 2 178.6 54.0 70 0 2 3 25.379 50.758 0.24 8.44 4 79.3 21.0 71 2 2 -3 25.454 50.908 0.24 8.38 4 62.1 12.8 72 2 0 4 25.594 51.188 0.241 8.28 2 91.7 13.8 73 1 1 -4 25.604 51.209 0.242 8.27 4 79.8 20.9 74 6 2 1 25.643 51.287 0.242 8.24 4 57.2 10.7 75 7 1 2 25.887 51.773 0.244 8.06 4 9.5 0.3 76 5 1 3 25.933 51.865 0.244 8.03 4 48.2 7.4 77 3 1 -4 26.133 52.266 0.246 7.89 4 28.9 2.6 78 6 2 -2 26.222 52.445 0.247 7.83 4 86.3 23.1 79 6 0 3 26.352 52.705 0.248 7.74 2 18.3 0.5 80 1 1 4 26.362 52.724 0.248 7.74 4 34.0 3.6 81 7 1 -3 26.375 52.75 0.248 7.73 4 88.1 23.8 82 9 1 -1 26.559 53.119 0.25 7.61 4 1.3 0.0 83 2 2 3 26.589 53.179 0.25 7.59 4 8.8 0.2 84 9 1 0 26.649 53.299 0.251 7.55 4 17.8 0.9 85 4 2 -3 26.807 53.615 0.252 7.45 4 11.3 0.4 86 1 3 0 26.829 53.659 0.252 7.43 4 5.5 0.1 87 8 0 2 26.846 53.692 0.252 7.42 2 40.4 2.4 88 8 0 -3 26.862 53.725 0.253 7.41 2 46.7 3.2 89 1 3 -1 27.476 54.951 0.258 7.04 4 37.2 3.9 90 1 3 1 27.657 55.315 0.259 6.94 4 87.3 21.0 91 6 0 -4 27.666 55.332 0.26 6.93 2 161.9 36.0 92 10 0 -1 27.845 55.691 0.261 6.83 2 12.4 0.2 93 5 1 -4 27.896 55.793 0.262 6.8 4 52.1 7.3 94 9 1 -2 27.944 55.887 0.262 6.78 4 9.2 0.2 95 10 0 0 28.022 56.045 0.263 6.73 2 63.9 5.4 96 3 3 0 28.066 56.132 0.263 6.71 4 3.5 0.0 97 9 1 1 28.203 56.407 0.264 6.64 4 59.8 9.4 98 4 0 4 28.214 56.429 0.264 6.63 2 7.2 0.1 99 3 1 4 28.333 56.667 0.265 6.57 4 96.8 24.4 100 6 2 2 28.418 56.836 0.266 6.52 4 151.4 59.3 101 3 3 -1 28.516 57.032 0.267 6.47 4 53.2 7.3 102 8 2 0 28.714 57.428 0.269 6.37 4 206.4 107.6 103 8 2 -1 28.717 57.434 0.269 6.37 4 80.6 16.4 104 4 2 3 28.973 57.946 0.271 6.24 4 83.6 17.3 105 3 3 1 29.046 58.093 0.271 6.21 4 43.4 4.6 106 10 0 -2 29.101 58.202 0.272 6.18 2 35.0 1.5 107 6 2 -3 29.316 58.631 0.274 6.08 4 66.9 10.8 108 1 3 -2 29.531 59.062 0.276 5.98 4 20.3 1.0 109 10 0 1 29.615 59.23 0.276 5.94 2 19.5 0.4 110 1 3 2 29.877 59.755 0.278 5.83 4 42.6 4.2 111 8 2 1 30.112 60.224 0.28 5.73 4 35.8 2.9 112 8 2 -2 30.121 60.242 0.281 5.72 4 7.3 0.1 113 7 1 3 30.134 60.268 0.281 5.72 4 19.6 0.9 114 2 2 -4 30.352 60.704 0.282 5.63 4 49.0 5.3 115 3 3 -2 30.356 60.711 0.282 5.62 4 29.6 2.0 116 5 3 0 30.44 60.88 0.283 5.59 4 9.8 0.2 117 0 2 4 30.456 60.912 0.283 5.58 4 70.1 10.9 118 2 0 -5 30.482 60.965 0.284 5.57 2 14.5 0.2 119 9 1 -3 30.669 61.338 0.285 5.5 4 38.9 3.3 120 5 3 -1 30.698 61.397 0.285 5.48 4 26.8 1.6 121 7 1 -4 30.753 61.506 0.286 5.46 4 115.7 29.0 122 0 0 5 30.756 61.512 0.286 5.46 2 53.0 3.0 123 9 1 2 31.077 62.154 0.289 5.34 4 15.8 0.5 124 8 0 3 31.09 62.18 0.289 5.33 2 108.5 12.4 125 8 0 -4 31.111 62.222 0.289 5.33 2 93.7 9.3 126 4 0 -5 31.358 62.716 0.291 5.23 2 42.1 1.8 127 5 1 4 31.369 62.739 0.291 5.23 4 128.0 34.0 128 3 3 2 31.372 62.744 0.291 5.23 4 46.8 4.5 129 4 2 -4 31.397 62.795 0.291 5.22 4 183.8 69.9 130 5 3 1 31.541 63.083 0.292 5.17 4 147.6 44.6 131 10 0 -3 31.681 63.361 0.294 5.12 2 108.9 12.0 132 2 2 4 31.703 63.406 0.294 5.11 4 75.0 11.4 133 6 0 4 31.825 63.65 0.295 5.07 2 170.0 29.0 134 1 1 -5 31.923 63.845 0.296 5.03 4 12.1 0.3 135 2 0 5 32.162 64.324 0.298 4.95 2 75.5 5.6 136 3 1 -5 32.218 64.436 0.298 4.93 4 106.1 22.0 137 5 3 -2 32.298 64.596 0.299 4.91 4 45.4 4.0 138 11 1 -1 32.305 64.61 0.299 4.9 4 140.3 38.3 139 6 2 3 32.367 64.735 0.299 4.88 4 19.8 0.8 140 10 0 2 32.495 64.989 0.3 4.84 2 149.5 21.4 141 11 1 0 32.549 65.098 0.301 4.82 4 20.8 0.8 142 1 1 5 32.748 65.496 0.302 4.76 4 8.4 0.1 143 8 2 2 32.803 65.605 0.303 4.75 4 27.1 1.4 144 8 2 -3 32.817 65.635 0.303 4.74 4 9.4 0.2 145 1 3 -3 32.831 65.662 0.303 4.74 4 189.0 67.1 146 1 3 3 33.321 66.641 0.307 4.59 4 12.4 0.3 147 6 0 -5 33.331 66.662 0.307 4.59 2 54.9 2.7 148 11 1 -2 33.378 66.756 0.308 4.57 4 9.0 0.1 149 3 3 -3 33.448 66.895 0.308 4.55 4 33.9 2.1 150 6 2 -4 33.532 67.063 0.309 4.53 4 5.9 0.1 151 5 1 -5 33.619 67.237 0.309 4.5 4 0.6 0.0 152 10 2 -1 33.692 67.384 0.31 4.48 4 17.7 0.6 153 7 3 0 33.812 67.623 0.311 4.45 4 8.3 0.1 154 10 2 0 33.851 67.701 0.311 4.44 4 112.6 22.3 155 7 3 -1 33.895 67.79 0.312 4.43 4 94.9 15.8 156 5 3 2 33.928 67.857 0.312 4.42 4 58.4 6.0 157 12 0 -1 33.999 67.999 0.313 4.4 2 78.8 5.4 158 4 2 4 34.023 68.046 0.313 4.39 4 390.0 264.8 159 11 1 1 34.096 68.192 0.313 4.37 4 5.9 0.1 160 12 0 0 34.318 68.635 0.315 4.31 2 326.5 91.2 161 9 1 -4 34.553 69.106 0.317 4.25 4 96.1 15.6 162 4 0 5 34.626 69.252 0.318 4.24 2 93.8 7.4 163 3 1 5 34.652 69.304 0.318 4.23 4 40.5 2.8 164 10 2 -2 34.823 69.646 0.319 4.19 4 271.2 122.1 165 3 3 3 34.892 69.784 0.32 4.17 4 67.3 7.5 166 12 0 -2 34.967 69.934 0.32 4.15 2 114.4 10.8 167 7 3 1 35.014 70.029 0.321 4.14 4 37.0 2.2 168 9 1 3 35.09 70.181 0.321 4.12 4 13.0 0.3 169 5 3 -3 35.141 70.281 0.322 4.11 4 105.8 18.2 170 7 3 -2 35.261 70.521 0.323 4.08 4 45.7 3.4 171 10 2 1 35.29 70.581 0.323 4.08 4 115.2 21.4 172 7 1 4 35.327 70.654 0.323 4.07 4 50.5 4.1 173 10 0 -4 35.428 70.856 0.324 4.04 2 87.6 6.2 174 11 1 -3 35.708 71.416 0.326 3.98 4 1.7 0.0 175 12 0 1 35.906 71.812 0.328 3.94 2 50.6 2.0 176 7 1 -5 36.061 72.121 0.329 3.91 4 60.3 5.6 177 2 2 -5 36.084 72.167 0.329 3.9 4 92.6 13.3 178 8 0 4 36.289 72.578 0.331 3.86 2 251.2 48.3 179 8 0 -5 36.314 72.628 0.331 3.85 2 101.4 7.9 180 0 2 5 36.335 72.671 0.331 3.85 4 72.5 8.0 181 10 0 3 36.507 73.013 0.333 3.82 2 122.2 11.3 182 8 2 3 36.643 73.287 0.334 3.79 4 8.4 0.1 183 8 2 -4 36.663 73.325 0.334 3.78 4 299.6 134.6 184 0 4 0 36.763 73.527 0.335 3.76 2 494.6 182.5 185 11 1 2 36.867 73.734 0.335 3.75 4 1.3 0.0 186 4 2 -5 36.891 73.782 0.336 3.74 4 132.5 26.0 187 12 0 -3 37.176 74.351 0.338 3.69 2 51.6 1.9 188 10 2 -3 37.19 74.38 0.338 3.68 4 40.3 2.4 189 1 3 -4 37.219 74.439 0.338 3.68 4 60.0 5.2 190 2 4 0 37.289 74.579 0.339 3.67 4 16.1 0.4 191 6 2 4 37.324 74.648 0.339 3.66 4 2.3 0.0 192 0 4 1 37.386 74.773 0.339 3.65 4 13.1 0.2 193 7 3 2 37.448 74.897 0.34 3.64 4 14.2 0.3 194 2 0 -6 37.453 74.905 0.34 3.64 2 46.7 1.6 195 5 3 3 37.486 74.972 0.34 3.63 4 7.7 0.1 196 5 1 5 37.562 75.123 0.341 3.62 4 4.3 0.0 197 2 2 5 37.638 75.276 0.341 3.61 4 20.1 0.6 198 3 3 -4 37.649 75.299 0.341 3.6 4 0.7 0.0 199 2 4 -1 37.755 75.511 0.342 3.58 4 14.8 0.3 200 1 3 4 37.837 75.674 0.343 3.57 4 13.9 0.3 201 7 3 -3 37.848 75.695 0.343 3.57 4 31.4 1.4 202 0 0 6 37.855 75.71 0.343 3.57 2 10.2 0.1 203 10 2 2 37.948 75.896 0.344 3.55 4 219.4 67.8 204 9 3 -1 37.999 75.999 0.344 3.54 4 22.0 0.7 205 6 0 5 38.059 76.117 0.345 3.53 2 58.8 2.4 206 2 4 1 38.063 76.126 0.345 3.53 4 24.1 0.8 207 9 3 0 38.074 76.147 0.345 3.53 4 0.2 0.0 208 4 0 -6 38.095 76.191 0.345 3.53 2 10.8 0.1 209 13 1 -1 38.584 77.168 0.349 3.45 4 64.0 5.6 210 12 0 2 38.7 77.401 0.35 3.43 2 65.5 2.9 211 6 2 -5 38.732 77.465 0.35 3.43 4 24.8 0.8 212 1 1 -6 38.843 77.686 0.351 3.41 4 44.4 2.7 213 4 4 0 38.853 77.706 0.351 3.41 4 71.9 7.0 214 3 1 -6 38.963 77.925 0.352 3.39 4 46.5 2.9 215 13 1 0 38.963 77.927 0.352 3.39 4 25.8 0.9 216 5 3 -4 39.115 78.231 0.353 3.37 4 36.1 1.7 217 9 3 -2 39.155 78.311 0.353 3.37 4 12.2 0.2 218 4 4 -1 39.16 78.321 0.353 3.37 4 36.0 1.7 219 11 1 -4 39.206 78.412 0.353 3.36 4 23.2 0.7 220 0 4 2 39.235 78.47 0.354 3.36 4 64.2 5.5 221 2 0 6 39.292 78.584 0.354 3.35 2 176.0 20.6 222 12 2 -1 39.363 78.725 0.355 3.34 4 128.4 21.8 223 9 3 1 39.375 78.751 0.355 3.34 4 49.1 3.2 224 13 1 -2 39.431 78.862 0.355 3.33 4 36.8 1.8 225 2 4 -2 39.447 78.893 0.355 3.33 4 11.8 0.2 226 9 1 -5 39.472 78.944 0.355 3.32 4 50.7 3.4 227 3 3 4 39.486 78.972 0.355 3.32 4 77.7 8.0 228 12 2 0 39.664 79.327 0.357 3.3 4 70.9 6.6 229 1 1 6 39.756 79.512 0.357 3.29 4 43.9 2.5 230 6 0 -6 39.767 79.535 0.358 3.28 2 143.3 13.4 231 4 4 1 39.769 79.537 0.358 3.28 4 29.7 1.1 232 4 2 5 39.956 79.912 0.359 3.26 4 8.9 0.1 233 2 4 2 40.053 80.107 0.36 3.25 4 125.4 20.2 234 5 1 -6 40.112 80.224 0.36 3.24 4 30.9 1.2 235 9 1 4 40.13 80.26 0.36 3.24 4 27.1 0.9 236 10 0 -5 40.231 80.463 0.361 3.23 2 50.2 1.6 237 12 2 -2 40.281 80.561 0.361 3.22 4 64.6 5.3 238 12 0 -4 40.555 81.11 0.363 3.19 2 251.5 39.9 239 13 1 1 40.559 81.118 0.363 3.19 4 15.7 0.3 240 14 0 -1 40.679 81.357 0.364 3.17 2 42.3 1.1 241 4 4 -2 40.684 81.368 0.364 3.17 4 79.2 7.9 242 10 2 -4 40.72 81.44 0.365 3.17 4 41.7 2.2 243 11 1 3 40.778 81.555 0.365 3.16 4 64.8 5.3 244 7 3 3 41.042 82.084 0.367 3.13 4 3.5 0.0 245 14 0 0 41.128 82.256 0.368 3.12 2 61.4 2.3 246 12 2 1 41.178 82.355 0.368 3.12 4 36.2 1.6 247 7 1 5 41.417 82.833 0.37 3.09 4 4.5 0.0 248 6 4 0 41.42 82.84 0.37 3.09 4 13.3 0.2 249 14 0 -2 41.44 82.879 0.37 3.09 2 34.4 0.7 250 13 1 -3 41.484 82.969 0.37 3.09 4 112.9 15.6 251 9 3 -3 41.513 83.025 0.37 3.08 4 7.8 0.1 252 8 2 4 41.545 83.09 0.371 3.08 4 98.4 11.8 253 10 0 4 41.564 83.127 0.371 3.08 2 55.3 1.9 254 8 2 -5 41.569 83.138 0.371 3.08 4 77.5 7.3 255 6 4 -1 41.573 83.146 0.371 3.08 4 15.0 0.3 256 7 3 -4 41.587 83.174 0.371 3.08 4 109.9 14.7 257 3 1 6 41.685 83.37 0.372 3.07 4 63.7 4.9 258 4 0 6 41.735 83.47 0.372 3.06 2 67.6 2.8 259 10 2 3 41.755 83.509 0.372 3.06 4 50.2 3.1 260 9 3 2 41.875 83.749 0.373 3.05 4 7.5 0.1 261 4 4 2 41.888 83.776 0.373 3.05 4 78.5 7.4 262 5 3 4 42.135 84.27 0.375 3.03 4 119.3 17.1 263 0 4 3 42.266 84.533 0.376 3.01 4 107.7 13.9 264 7 1 -6 42.272 84.543 0.376 3.01 4 34.4 1.4 265 2 4 -3 42.325 84.65 0.376 3.01 4 111.8 14.9 266 12 2 -3 42.4 84.8 0.377 3.0 4 61.6 4.5 267 8 0 5 42.41 84.819 0.377 3.0 2 68.2 2.8 268 8 0 -6 42.439 84.878 0.377 3.0 2 2.9 0.0 269 6 4 1 42.473 84.946 0.377 3.0 4 35.0 1.5 270 1 3 -5 42.632 85.263 0.379 2.98 4 4.2 0.0 271 12 0 3 42.64 85.28 0.379 2.98 2 96.9 5.5 272 2 2 -6 42.668 85.336 0.379 2.98 4 197.6 46.1 273 14 0 1 42.781 85.562 0.38 2.97 2 89.1 4.7 274 3 3 -5 42.898 85.797 0.381 2.96 4 135.8 21.7 275 6 4 -2 42.93 85.86 0.381 2.96 4 213.3 53.4 276 11 3 -1 42.977 85.954 0.381 2.96 4 132.8 20.7 277 0 2 6 43.058 86.117 0.382 2.95 4 81.6 7.8 278 11 3 0 43.198 86.397 0.383 2.94 4 36.6 1.6 279 2 4 3 43.223 86.446 0.383 2.94 4 52.0 3.1 280 6 2 5 43.256 86.513 0.383 2.93 4 51.8 3.1 281 4 2 -6 43.292 86.584 0.383 2.93 4 208.9 50.7 282 13 1 2 43.344 86.687 0.384 2.93 4 31.2 1.1 283 1 3 5 43.379 86.759 0.384 2.93 4 3.9 0.0 284 4 4 -3 43.398 86.796 0.384 2.92 4 21.7 0.5 285 14 0 -3 43.4 86.801 0.384 2.92 2 111.1 7.2 286 11 1 -5 43.819 87.637 0.387 2.9 4 79.5 7.3 287 12 2 2 43.882 87.763 0.387 2.89 4 48.4 2.7 288 11 3 -2 43.956 87.912 0.388 2.89 4 13.7 0.2 289 5 3 -5 44.178 88.355 0.39 2.87 4 8.2 0.1 290 2 2 6 44.461 88.921 0.392 2.86 4 79.5 7.2 291 5 1 6 44.611 89.221 0.393 2.85 4 9.1 0.1 292 11 3 1 44.619 89.239 0.393 2.85 4 41.4 1.9 293 13 1 -4 44.719 89.438 0.393 2.84 4 19.9 0.4 294 6 4 2 44.722 89.443 0.393 2.84 4 74.3 6.2 295 6 2 -6 44.928 89.855 0.395 2.83 4 90.4 9.2 296 8 4 0 44.97 89.941 0.395 2.83 4 57.7 3.7 297 8 4 -1 44.973 89.946 0.395 2.83 4 59.1 3.9 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 2 0 0 5.392 10.783 9.51925 61.7 12.1 12.3 5.6 2 0 0 1 5.87 11.741 8.74545 21.2 4.1 4.2 5.6 3 2 0 -1 7.422 14.844 6.9244 13.6 2.7 2.7 5.6 4 2 0 1 8.509 17.018 6.04513 32.3 6.3 6.4 5.6 5 1 1 -1 10.587 21.174 4.86849 45.2 8.8 8.9 5.6 6 4 0 0 10.832 21.664 4.75962 149.4 29.2 29.5 5.6 7 1 1 1 10.992 21.985 4.69094 233.4 45.6 46.1 5.6 8 4 0 -1 11.62 23.24 4.44077 29.2 5.7 5.8 5.6 9 0 0 2 11.803 23.607 4.37272 101.9 19.9 20.1 5.6 10 3 1 -1 12.764 25.527 4.04865 29.4 5.7 5.8 5.6 11 4 0 1 13.05 26.099 3.96135 14.3 2.8 2.8 5.6 12 2 0 2 13.673 27.347 3.78388 293.6 57.4 57.8 5.6 13 3 1 1 13.766 27.531 3.75903 16.8 3.3 3.3 5.6 14 1 1 -2 14.635 29.269 3.54024 11.0 2.2 2.2 5.6 15 4 0 -2 14.972 29.944 3.4622 71.4 13.9 14.0 5.6 16 1 1 2 15.234 30.468 3.40412 19.7 3.8 3.9 5.6 17 3 1 -2 16.033 32.067 3.23846 7.2 1.4 1.4 5.6 18 5 1 -1 16.59 33.18 3.13273 23.2 4.5 4.5 5.6 19 4 0 2 17.213 34.426 3.02256 84.5 16.5 16.5 5.7 20 0 2 0 17.413 34.826 2.98895 68.7 13.4 13.4 5.7 21 3 1 2 17.648 35.295 2.95044 33.8 6.6 6.6 5.7 22 0 0 3 17.868 35.737 2.91515 88.8 17.3 17.3 5.7 23 5 1 1 17.907 35.814 2.90906 512.0 100.0 100.0 5.7 24 2 0 -3 17.968 35.936 2.89951 87.7 17.1 17.1 5.7 25 6 0 1 18.217 36.435 2.86114 7.2 1.4 1.4 5.7 26 2 2 0 18.28 36.56 2.85168 79.3 15.5 15.5 5.7 27 0 2 1 18.436 36.873 2.82833 66.3 12.9 12.9 5.7 28 6 0 -2 18.971 37.942 2.75143 268.8 52.5 52.4 5.7 29 2 2 -1 19.023 38.046 2.74421 63.8 12.5 12.4 5.7 30 2 0 3 19.442 38.883 2.68732 15.7 3.1 3.1 5.7 31 2 2 1 19.502 39.004 2.67933 45.3 8.9 8.8 5.7 32 1 1 -3 19.808 39.617 2.6395 213.3 41.7 41.5 5.7 33 1 1 3 20.5 41.0 2.55407 15.2 3.0 3.0 5.7 34 4 2 0 20.694 41.387 2.53123 307.1 60.0 59.7 5.7 35 4 2 -1 21.145 42.29 2.4796 26.7 5.2 5.2 5.7 36 0 2 2 21.253 42.506 2.46757 95.7 18.7 18.6 5.7 37 7 1 -1 21.295 42.59 2.46292 149.8 29.3 29.1 5.7 38 5 1 2 21.341 42.681 2.45791 20.6 4.0 4.0 5.7 39 2 2 -2 21.558 43.117 2.43425 48.0 9.4 9.3 5.7 40 6 0 2 21.718 43.436 2.41723 7.9 1.5 1.5 5.7 41 8 0 -1 22.081 44.162 2.37942 20.6 4.0 4.0 5.7 42 2 2 2 22.418 44.835 2.34547 174.7 34.1 33.8 5.7 43 3 1 3 22.635 45.27 2.32413 73.6 14.4 14.2 5.7 44 7 1 1 22.796 45.592 2.30858 14.6 2.9 2.8 5.7 45 5 1 -3 22.962 45.923 2.29281 40.3 7.9 7.8 5.7 46 4 2 -2 23.288 46.575 2.26247 12.7 2.5 2.4 5.7 47 8 0 -2 23.756 47.512 2.22039 152.4 29.8 29.4 5.7 48 2 0 -4 24.027 48.054 2.19679 34.3 6.7 6.6 5.7 49 0 0 4 24.149 48.298 2.18636 40.2 7.8 7.7 5.7 50 6 2 0 24.275 48.55 2.17569 50.2 9.8 9.7 5.7 51 6 2 -1 24.477 48.954 2.15883 19.4 3.8 3.7 5.7 52 4 2 2 24.889 49.778 2.12529 148.2 28.9 28.5 5.7 53 4 0 -4 25.242 50.485 2.09746 54.0 10.6 10.4 5.8 54 0 2 3 25.379 50.758 2.08693 21.0 4.1 4.0 5.8 55 2 2 -3 25.454 50.908 2.08116 12.8 2.5 2.5 5.8 56 1 1 -4 25.604 51.209 2.06976 34.6 6.8 6.7 5.8 57 6 2 1 25.643 51.287 2.06684 10.7 2.1 2.1 5.8 58 5 1 3 25.933 51.865 2.04535 7.4 1.4 1.4 5.8 59 6 2 -2 26.222 52.445 2.02432 23.1 4.5 4.4 5.8 60 7 1 -3 26.375 52.75 2.01344 27.3 5.3 5.2 5.8 61 8 0 -3 26.862 53.725 1.97955 5.6 1.1 1.1 5.8 62 6 0 -4 27.666 55.332 1.9264 57.0 11.1 10.9 5.8 63 5 1 -4 27.896 55.793 1.91176 7.3 1.4 1.4 5.8 64 10 0 0 28.022 56.045 1.90385 5.4 1.1 1.0 5.8 65 9 1 1 28.203 56.407 1.89262 9.5 1.8 1.8 5.8 66 3 1 4 28.333 56.667 1.88466 24.4 4.8 4.7 5.8 67 6 2 2 28.418 56.836 1.87952 59.3 11.6 11.3 5.8 68 3 3 -1 28.516 57.032 1.87358 7.3 1.4 1.4 5.8 69 8 2 0 28.714 57.428 1.86176 124.0 24.2 23.6 5.8 70 4 2 3 28.973 57.946 1.84656 17.3 3.4 3.3 5.8 71 6 2 -3 29.316 58.631 1.82684 10.8 2.1 2.1 5.8 72 2 2 -4 30.352 60.704 1.77012 7.3 1.4 1.4 5.8 73 0 2 4 30.456 60.912 1.76465 11.1 2.2 2.1 5.8 74 7 1 -4 30.753 61.506 1.74926 32.0 6.3 6.1 5.8 75 8 0 3 31.09 62.18 1.73216 21.7 4.2 4.1 5.8 76 4 2 -4 31.397 62.795 1.71691 110.2 21.5 20.8 5.9 77 5 3 1 31.541 63.083 1.70988 44.6 8.7 8.4 5.9 78 10 0 -3 31.681 63.361 1.70313 23.4 4.6 4.4 5.9 79 6 0 4 31.825 63.65 1.69621 29.0 5.7 5.5 5.9 80 2 0 5 32.162 64.324 1.68031 5.6 1.1 1.1 5.9 81 3 1 -5 32.218 64.436 1.67771 22.0 4.3 4.1 5.9 82 11 1 -1 32.305 64.61 1.67369 42.3 8.3 8.0 5.9 83 10 0 2 32.495 64.989 1.66498 21.4 4.2 4.0 5.9 84 1 3 -3 32.831 65.662 1.64979 68.6 13.4 12.9 5.9 85 10 2 0 33.851 67.701 1.60577 22.3 4.4 4.2 5.9 86 7 3 -1 33.895 67.79 1.60391 15.8 3.1 3.0 5.9 87 5 3 2 33.928 67.857 1.60253 6.0 1.2 1.1 5.9 88 4 2 4 34.023 68.046 1.5986 270.2 52.8 50.6 5.9 89 12 0 0 34.318 68.635 1.58654 91.2 17.8 17.1 5.9 90 9 1 -4 34.553 69.106 1.57705 15.6 3.0 2.9 5.9 91 4 0 5 34.626 69.252 1.57416 10.1 2.0 1.9 5.9 92 10 2 -2 34.823 69.646 1.56637 122.1 23.9 22.8 5.9 93 3 3 3 34.892 69.784 1.56365 7.5 1.5 1.4 5.9 94 12 0 -2 34.967 69.934 1.56073 10.8 2.1 2.0 5.9 95 5 3 -3 35.141 70.281 1.554 18.2 3.6 3.4 5.9 96 10 2 1 35.29 70.581 1.54826 21.4 4.2 4.0 5.9 97 10 0 -4 35.428 70.856 1.54303 6.2 1.2 1.1 5.9 98 2 2 -5 36.084 72.167 1.5187 18.9 3.7 3.5 5.9 99 8 0 4 36.289 72.578 1.51128 56.1 11.0 10.4 6.0 100 0 2 5 36.335 72.671 1.50961 8.0 1.6 1.5 6.0 101 10 0 3 36.507 73.013 1.5035 11.3 2.2 2.1 6.0 102 8 2 -4 36.663 73.325 1.498 134.6 26.3 25.0 6.0 103 0 4 0 36.763 73.527 1.49447 182.5 35.6 33.9 6.0 104 4 2 -5 36.891 73.782 1.49004 26.0 5.1 4.8 6.0 105 1 3 -4 37.219 74.439 1.47877 9.6 1.9 1.8 6.0 106 10 2 2 37.948 75.896 1.45453 67.8 13.2 12.5 6.0 107 13 1 -1 38.584 77.168 1.4342 5.6 1.1 1.0 6.0 108 4 4 0 38.853 77.706 1.42584 9.7 1.9 1.8 6.0 109 0 4 2 39.235 78.47 1.41416 5.5 1.1 1.0 6.0 110 2 0 6 39.292 78.584 1.41244 20.6 4.0 3.8 6.0 111 12 2 -1 39.363 78.725 1.41032 25.0 4.9 4.6 6.0 112 3 3 4 39.486 78.972 1.40663 11.3 2.2 2.1 6.0 113 12 2 0 39.664 79.327 1.40136 6.6 1.3 1.2 6.0 114 6 0 -6 39.767 79.535 1.39831 17.0 3.3 3.1 6.0 115 2 4 2 40.053 80.107 1.38999 20.2 4.0 3.7 6.0 116 12 2 -2 40.281 80.561 1.38348 5.3 1.0 1.0 6.1 117 12 0 -4 40.555 81.11 1.37571 40.3 7.9 7.4 6.1 118 4 4 -2 40.684 81.368 1.3721 9.0 1.8 1.6 6.1 119 11 1 3 40.778 81.555 1.36951 5.3 1.0 1.0 6.1 120 13 1 -3 41.484 82.969 1.3503 15.7 3.1 2.8 6.1 121 8 2 4 41.545 83.09 1.34868 21.3 4.2 3.9 6.1 122 7 3 -4 41.587 83.174 1.34757 14.7 2.9 2.7 6.1 123 10 2 3 41.755 83.509 1.34315 5.8 1.1 1.1 6.1 124 4 4 2 41.888 83.776 1.33967 7.4 1.5 1.3 6.1 125 5 3 4 42.135 84.27 1.33326 17.1 3.3 3.1 6.1 126 0 4 3 42.266 84.533 1.3299 15.3 3.0 2.8 6.1 127 2 4 -3 42.325 84.65 1.3284 14.9 2.9 2.7 6.1 128 12 2 -3 42.4 84.8 1.3265 7.3 1.4 1.3 6.1 129 2 2 -6 42.668 85.336 1.31975 51.7 10.1 9.3 6.1 130 3 3 -5 42.898 85.797 1.31403 21.7 4.2 3.9 6.1 131 6 4 -2 42.93 85.86 1.31326 53.4 10.4 9.6 6.1 132 11 3 -1 42.977 85.954 1.3121 20.7 4.0 3.7 6.1 133 0 2 6 43.058 86.117 1.3101 7.8 1.5 1.4 6.1 134 4 2 -6 43.292 86.584 1.30441 50.7 9.9 9.1 6.1 135 14 0 -3 43.4 86.801 1.3018 7.2 1.4 1.3 6.1 136 11 1 -5 43.819 87.637 1.29187 7.3 1.4 1.3 6.2 137 2 2 6 44.461 88.921 1.27704 7.2 1.4 1.3 6.2 138 6 4 2 44.722 89.443 1.27115 6.2 1.2 1.1 6.2 139 6 2 -6 44.928 89.855 1.26656 9.2 1.8 1.6 6.2 140 8 4 -1 44.973 89.946 1.26556 7.7 1.5 1.4 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) |