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 *** *********************** FENCOOPERITE 1 Ba(6)Fe(3)Si(8)O(23)[CO(3)](2)Cl(3).H(2)O Hexagonal P 3m1 Z = 1 R =0.061 NR =1335 17 .6 .1903 Ref.Str.: J.D. Grice (2001) * Canad. Mineral., 39, 1065-1071 Reserv: There are U(ij) in the article. D.T.N. Initial data from BDM-file Lattice parameters (cub. angs.,degr.): a = 10.7409 alpha = 90.0 b = 10.7409 beta = 90.0 c = 7.0955 gamma = 120.0 Unit cell volume (cub. angs.) = 708.92 Molar volume ( cub.cm/mol.) = 427.01 Co-ordinates, thermal parameters, occupation for atomic positions: NoP x/a y/b z/c B(j) atom / occupation 1 0.8275 0.1725 0.0 1.84 Ba = 1.00 2 0.5161 0.4839 0.5006 2.45 Ba = 1.00 3 0.4373 0.5627 0.001 2.58 Fe = 1.00 4 0.0 0.0 0.7218 4.09 Si = 1.00 5 0.1678 0.3356 0.7284 4.05 Si = 1.00 6 0.0 0.0 0.2789 4.19 Si = 1.00 7 0.1669 0.8331 0.2704 3.94 Si = 1.00 8 0.6667 0.3333 0.181 3.91 C = 1.00 9 0.6667 0.3333 0.716 3.82 C = 1.00 10 0.0 0.0 0.498 2.32 O = 1.00 11 0.0822 0.1644 0.797 2.08 O = 1.00 12 0.3316 0.9223 0.804 1.93 O = 1.00 13 0.167 0.334 0.505 2.01 O = 1.00 14 0.0819 0.1638 0.199 2.09 O = 1.00 15 0.5933 0.9231 0.196 1.94 O = 1.00 16 0.3333 0.6667 0.994 1.86 O = 1.00 17 0.5972 0.4028 0.176 1.94 O = 1.00 18 0.7366 0.2634 0.711 2.02 O = 1.00 19 0.3333 0.6667 0.504 0.14 H(2)O = 1.00 20 0.8361 0.1639 0.501 0.87 Cl = 1.00 Co-ordinates for all atomic positions : No NoP x/a y/b z/c 1 1 0.8275 0.1725 0.0 2 2 0.5161 0.4839 0.5006 3 3 0.4373 0.5627 0.001 4 4 0.0 0.0 0.7218 5 5 0.1678 0.3356 0.7284 6 6 0.0 0.0 0.2789 7 7 0.1669 0.8331 0.2704 8 8 0.6667 0.3333 0.181 9 9 0.6667 0.3333 0.716 10 10 0.0 0.0 0.498 11 11 0.0822 0.1644 0.797 12 12 0.3316 0.9223 0.804 13 13 0.167 0.334 0.505 14 14 0.0819 0.1638 0.199 15 15 0.5933 0.9231 0.196 16 16 0.3333 0.6667 0.994 17 17 0.5972 0.4028 0.176 18 18 0.7366 0.2634 0.711 19 19 0.3333 0.6667 0.504 20 20 0.8361 0.1639 0.501 21 1 0.8275 0.655 0.0 22 1 0.345 0.1725 0.0 23 2 0.5161 0.0322 0.5006 24 2 0.9678 0.4839 0.5006 25 3 0.4373 0.8746 0.001 26 3 0.1254 0.5627 0.001 27 5 0.6644 0.8322 0.7284 28 5 0.1678 0.8322 0.7284 29 7 0.1669 0.3338 0.2704 30 7 0.6662 0.8331 0.2704 31 11 0.8356 0.9178 0.797 32 11 0.0822 0.9178 0.797 33 12 0.0777 0.4093 0.804 34 12 0.5907 0.6684 0.804 35 13 0.666 0.833 0.505 36 13 0.167 0.833 0.505 37 14 0.8362 0.9181 0.199 38 14 0.0819 0.9181 0.199 39 15 0.0769 0.6702 0.196 40 15 0.3298 0.4067 0.196 41 17 0.5972 0.1944 0.176 42 17 0.8056 0.4028 0.176 43 18 0.7366 0.4732 0.711 44 18 0.5268 0.2634 0.711 45 20 0.8361 0.6722 0.501 46 20 0.3278 0.1639 0.501 47 12 0.3316 0.4093 0.804 48 15 0.5933 0.6702 0.196 49 12 0.0777 0.6684 0.804 50 12 0.5907 0.9223 0.804 51 15 0.0769 0.4067 0.196 52 15 0.3298 0.9231 0.196 X-ray density (g/cm cub.) = 4.28 MU (1/cm) = 1023.779 Mass attenuation coefficient (cm**2/g) = 239.092 Selected interatomic distances (cation-anion,anion-anion): NoP Atom Rad.sph. C.N. Distance NoP N. (angs.) (angs.) 1 Ba 3.828 13 3.1312 11 3.1184 14 2.9495 15 2.658 18 3.5584 20 3.5443 20 3.1313 11 2.9648 12 3.1185 14 2.8836 17 2.8836 17 2.9647 12 2.9495 15 2 Ba 3.828 12 3.2582 13 2.7534 17 3.4009 19 2.7597 12 3.2581 13 2.7755 15 2.8502 18 2.8502 18 2.9921 20 2.9921 20 2.7597 12 2.7755 15 3 Fe 3.132 5 1.9354 16 2.0217 12 2.0299 15 2.0216 12 2.0299 15 4 Si 2.64 4 1.588 10 1.6196 11 1.6196 11 1.6197 11 5 Si 2.64 4 1.6652 11 1.5852 13 1.6176 12 1.6177 12 6 Si 2.64 4 1.5546 10 1.6257 14 1.6257 14 1.6258 14 7 Si 2.64 4 1.6646 13 1.6604 14 1.6073 15 1.6073 15 8 C 2.412 3 1.2934 17 1.2926 17 1.2926 17 9 C 2.412 3 1.3009 18 1.3017 18 1.3017 18 10 O 3.804 12 2.6153 11 3.1072 13 2.612 14 3.0492 20 2.6153 11 2.6153 11 3.1072 13 3.1073 13 2.612 14 2.612 14 3.0493 20 3.0493 20 11 O 3.804 9 2.6153 10 2.6041 13 2.8524 14 3.374 20 2.6488 11 2.6488 11 2.6553 12 3.3741 20 2.6554 12 12 O 3.804 9 3.0668 16 3.4812 19 2.6553 11 2.6174 13 3.2516 18 3.3858 20 2.7271 12 2.783 12 2.7815 15 13 O 3.804 10 3.1072 10 2.6041 11 2.6871 14 3.0947 19 3.0785 20 2.6174 12 2.6663 15 3.0786 20 2.6174 12 2.6663 15 14 O 3.804 9 2.612 10 2.8524 11 2.6871 13 3.4007 20 2.6391 14 2.6391 14 2.6364 15 3.4008 20 2.6364 15 15 O 3.804 9 3.122 16 3.5311 19 3.3807 20 2.6663 13 2.6364 14 2.8967 17 2.7164 15 2.7815 12 2.8302 15 16 O 3.804 14 3.0668 12 3.122 15 3.6187 19 3.4768 19 3.0673 12 3.0678 12 3.1214 15 3.1225 15 3.0677 12 3.1224 15 3.0668 12 3.0673 12 3.1219 15 3.1215 15 17 O 3.804 8 2.8967 15 2.2385 17 2.2385 17 3.5451 18 3.5451 18 3.5847 20 3.5847 20 2.8968 15 18 O 3.804 7 2.3763 20 3.2516 12 3.5451 17 3.5451 17 2.2533 18 2.2533 18 3.2515 12 19 H(2)O 3.972 17 3.4812 12 3.0947 13 3.5311 15 3.4768 16 3.6187 16 3.4817 12 3.4821 12 3.0947 13 3.0937 13 3.5306 15 3.5315 15 3.482 12 3.5315 15 3.4812 12 3.4817 12 3.531 15 3.5307 15 20 Cl 4.344 16 3.0492 10 3.374 11 3.0785 13 3.4007 14 3.3807 15 2.3763 18 3.3741 11 3.3858 12 3.0786 13 3.4008 14 3.5847 17 3.5847 17 4.2366 18 4.2366 18 3.3857 12 3.3807 15 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 1 0 0 5.518 11.036 0.054 213.32 6 25.9 170.3 2 0 0 1 7.242 14.484 0.07 122.9 2 30.8 46.3 3 1 0 -1 9.123 18.245 0.089 76.63 6 27.1 67.0 4 1 0 1 9.123 18.245 0.089 76.63 6 25.3 58.5 5 1 1 0 9.587 19.175 0.093 69.18 6 75.6 472.0 6 2 0 0 11.088 22.176 0.108 51.18 6 81.9 410.1 7 1 1 1 12.057 24.113 0.117 42.96 12 12.1 15.0 8 2 0 -1 13.294 26.588 0.129 34.97 6 180.8 1364.9 9 2 0 1 13.294 26.588 0.129 34.97 6 178.4 1328.7 10 0 0 2 14.603 29.206 0.141 28.64 2 220.3 553.3 11 2 1 0 14.739 29.478 0.142 28.08 12 33.3 74.3 12 1 0 -2 15.654 31.309 0.151 24.67 6 92.2 250.5 13 1 0 2 15.654 31.309 0.151 24.67 6 67.2 133.0 14 2 1 -1 16.495 32.99 0.159 22.04 12 102.9 556.7 15 2 1 1 16.495 32.99 0.159 22.04 12 110.2 639.2 16 3 0 0 16.767 33.534 0.161 21.27 6 108.2 297.5 17 1 1 2 17.588 35.175 0.169 19.17 12 88.5 358.3 18 3 0 -1 18.35 36.7 0.176 17.46 6 123.2 316.5 19 3 0 1 18.35 36.7 0.176 17.46 6 122.7 313.8 20 2 0 -2 18.487 36.975 0.177 17.18 6 234.8 1131.0 21 2 0 2 18.487 36.975 0.177 17.18 6 238.3 1164.3 22 2 2 0 19.457 38.915 0.186 15.34 6 332.3 2022.5 23 3 1 0 20.286 40.572 0.194 13.99 12 45.4 68.9 24 2 2 1 20.865 41.729 0.199 13.14 12 67.8 144.3 25 2 1 -2 20.988 41.977 0.2 12.96 12 45.0 62.6 26 2 1 2 20.988 41.977 0.2 12.96 12 43.8 59.3 27 3 1 -1 21.649 43.297 0.206 12.09 12 63.9 117.9 28 3 1 1 21.649 43.297 0.206 12.09 12 58.0 97.1 29 0 0 3 22.221 44.442 0.211 11.4 2 52.4 12.5 30 3 0 -2 22.527 45.055 0.214 11.06 6 124.8 205.7 31 3 0 2 22.527 45.055 0.214 11.06 6 120.7 192.2 32 4 0 0 22.621 45.242 0.215 10.95 6 144.6 273.2 33 1 0 -3 22.968 45.936 0.218 10.58 6 18.3 4.2 34 1 0 3 22.968 45.936 0.218 10.58 6 32.4 13.3 35 4 0 -1 23.876 47.753 0.226 9.69 6 188.6 411.8 36 4 0 1 23.876 47.753 0.226 9.69 6 190.3 419.1 37 1 1 3 24.408 48.816 0.231 9.22 12 19.1 8.0 38 2 2 2 24.693 49.386 0.234 8.98 12 230.4 1138.4 39 3 2 0 24.781 49.562 0.234 8.91 12 77.9 129.1 40 2 0 -3 25.105 50.209 0.237 8.65 6 164.5 279.3 41 2 0 3 25.105 50.209 0.237 8.65 6 171.4 303.4 42 3 1 -2 25.384 50.768 0.24 8.43 12 58.6 69.2 43 3 1 2 25.384 50.768 0.24 8.43 12 65.3 85.8 44 3 2 -1 25.957 51.914 0.245 8.01 12 28.2 15.2 45 3 2 1 25.957 51.914 0.245 8.01 12 15.8 4.8 46 4 1 0 26.146 52.291 0.246 7.88 12 87.7 144.9 47 2 1 -3 27.116 54.232 0.255 7.26 12 81.0 113.5 48 2 1 3 27.116 54.232 0.255 7.26 12 83.5 120.9 49 4 1 -1 27.28 54.559 0.256 7.16 12 50.0 42.7 50 4 1 1 27.28 54.559 0.256 7.16 12 49.3 41.5 51 4 0 -2 27.381 54.761 0.257 7.1 6 76.6 49.7 52 4 0 2 27.381 54.761 0.257 7.1 6 70.8 42.5 53 3 0 -3 28.401 56.803 0.266 6.53 6 94.3 69.3 54 3 0 3 28.401 56.803 0.266 6.53 6 97.1 73.4 55 5 0 0 28.737 57.475 0.269 6.36 6 37.0 10.4 56 3 2 -2 29.283 58.567 0.273 6.1 12 101.4 149.5 57 3 2 2 29.283 58.567 0.273 6.1 12 105.3 161.4 58 5 0 -1 29.805 59.61 0.278 5.86 6 114.4 91.6 59 5 0 1 29.805 59.61 0.278 5.86 6 125.8 110.7 60 3 3 0 29.977 59.955 0.279 5.78 6 1.9 0.0 61 2 2 3 30.263 60.525 0.282 5.66 12 6.7 0.6 62 0 0 4 30.281 60.562 0.282 5.65 2 355.4 284.2 63 4 1 -2 30.51 61.019 0.284 5.56 12 62.9 52.6 64 4 1 2 30.51 61.019 0.284 5.56 12 57.1 43.3 65 4 2 0 30.586 61.171 0.284 5.53 12 74.4 73.0 66 3 1 -3 30.868 61.735 0.287 5.42 12 63.1 51.4 67 3 1 3 30.868 61.735 0.287 5.42 12 66.9 57.8 68 1 0 -4 30.886 61.771 0.287 5.41 6 22.1 3.2 69 1 0 4 30.886 61.771 0.287 5.41 6 29.8 5.7 70 3 3 1 31.018 62.037 0.288 5.36 12 23.0 6.7 71 4 2 -1 31.615 63.23 0.293 5.14 12 141.4 245.5 72 4 2 1 31.615 63.23 0.293 5.14 12 137.8 233.2 73 1 1 4 32.075 64.151 0.297 4.98 12 60.6 43.7 74 5 1 0 32.37 64.741 0.299 4.88 12 61.2 43.6 75 4 0 -3 32.644 65.287 0.302 4.79 6 95.2 51.9 76 4 0 3 32.644 65.287 0.302 4.79 6 87.7 44.0 77 2 0 -4 32.661 65.323 0.302 4.79 6 88.6 44.8 78 2 0 4 32.661 65.323 0.302 4.79 6 84.7 41.0 79 5 0 -2 32.881 65.761 0.303 4.72 6 20.6 2.4 80 5 0 2 32.881 65.761 0.303 4.72 6 11.3 0.7 81 5 1 -1 33.369 66.738 0.307 4.58 12 46.5 23.6 82 5 1 1 33.369 66.738 0.307 4.58 12 51.9 29.4 83 3 3 2 34.032 68.065 0.313 4.39 12 2.0 0.0 84 3 2 -3 34.37 68.741 0.316 4.3 12 29.5 8.9 85 3 2 3 34.37 68.741 0.316 4.3 12 33.9 11.8 86 2 1 -4 34.388 68.775 0.316 4.3 12 16.7 2.9 87 2 1 4 34.388 68.775 0.316 4.3 12 11.5 1.4 88 4 2 -2 34.601 69.203 0.317 4.24 12 153.9 239.8 89 4 2 2 34.601 69.203 0.317 4.24 12 150.8 230.3 90 6 0 0 35.237 70.473 0.323 4.09 6 194.3 184.2 91 4 1 -3 35.499 70.998 0.325 4.03 12 36.4 12.8 92 4 1 3 35.499 70.998 0.325 4.03 12 39.4 15.0 93 3 0 -4 35.516 71.032 0.325 4.03 6 82.6 32.8 94 3 0 4 35.516 71.032 0.325 4.03 6 83.5 33.5 95 4 3 0 35.797 71.594 0.327 3.96 12 75.1 53.3 96 6 0 -1 36.197 72.394 0.33 3.88 6 60.5 16.9 97 6 0 1 36.197 72.394 0.33 3.88 6 46.4 10.0 98 5 1 -2 36.284 72.567 0.331 3.86 12 15.3 2.1 99 5 1 2 36.284 72.567 0.331 3.86 12 8.6 0.7 100 4 3 -1 36.751 73.502 0.334 3.77 12 44.7 18.0 101 4 3 1 36.751 73.502 0.334 3.77 12 45.2 18.4 102 5 2 0 36.907 73.813 0.336 3.74 12 73.5 48.2 103 2 2 4 37.181 74.362 0.338 3.69 12 226.8 452.8 104 5 0 -3 37.713 75.426 0.342 3.59 6 90.6 35.2 105 5 0 3 37.713 75.426 0.342 3.59 6 89.9 34.7 106 3 1 -4 37.73 75.459 0.342 3.59 12 37.9 12.3 107 3 1 4 37.73 75.459 0.342 3.59 12 33.9 9.8 108 5 2 -1 37.85 75.701 0.343 3.57 12 77.8 51.6 109 5 2 1 37.85 75.701 0.343 3.57 12 79.4 53.7 110 3 3 3 38.803 77.605 0.35 3.42 12 22.8 4.3 111 6 0 -2 39.023 78.046 0.352 3.39 6 137.8 76.8 112 6 0 2 39.023 78.046 0.352 3.39 6 143.1 82.7 113 0 0 5 39.072 78.145 0.352 3.38 2 30.1 1.2 114 6 1 0 39.091 78.182 0.352 3.38 12 74.8 45.0 115 4 2 -3 39.344 78.688 0.354 3.34 12 135.6 146.8 116 4 2 3 39.344 78.688 0.354 3.34 12 135.5 146.5 117 4 0 -4 39.36 78.721 0.355 3.34 6 60.6 14.7 118 4 0 4 39.36 78.721 0.355 3.34 6 56.9 12.9 119 4 3 -2 39.564 79.127 0.356 3.31 12 43.9 15.2 120 4 3 2 39.564 79.127 0.356 3.31 12 37.3 11.0 121 1 0 -5 39.613 79.225 0.356 3.3 6 22.0 1.9 122 1 0 5 39.613 79.225 0.356 3.3 6 15.0 0.9 123 6 1 -1 40.018 80.037 0.359 3.25 12 16.2 2.0 124 6 1 1 40.018 80.037 0.359 3.25 12 26.4 5.4 125 5 2 -2 40.639 81.278 0.364 3.18 12 67.9 35.0 126 5 2 2 40.639 81.278 0.364 3.18 12 64.0 31.1 127 1 1 5 40.688 81.375 0.364 3.17 12 6.1 0.3 128 5 1 -3 40.957 81.913 0.366 3.14 12 50.0 18.8 129 5 1 3 40.957 81.913 0.366 3.14 12 49.4 18.3 130 3 2 -4 40.973 81.946 0.367 3.14 12 58.0 25.3 131 3 2 4 40.973 81.946 0.367 3.14 12 58.2 25.4 132 2 0 -5 41.223 82.445 0.368 3.11 6 101.1 38.0 133 2 0 5 41.223 82.445 0.368 3.11 6 93.5 32.5 134 4 4 0 41.775 83.55 0.372 3.06 6 256.8 240.9 135 4 1 -4 42.04 84.081 0.374 3.03 12 56.0 22.8 136 4 1 4 42.04 84.081 0.374 3.03 12 60.9 26.9 137 5 3 0 42.308 84.616 0.376 3.01 12 42.0 12.7 138 7 0 0 42.308 84.616 0.376 3.01 6 76.2 20.9 139 4 4 1 42.69 85.38 0.379 2.98 12 21.7 3.3 140 6 1 -2 42.773 85.545 0.38 2.97 12 84.5 50.7 141 6 1 2 42.773 85.545 0.38 2.97 12 85.9 52.4 142 2 1 -5 42.821 85.642 0.38 2.97 12 61.3 26.7 143 2 1 5 42.821 85.642 0.38 2.97 12 58.6 24.3 144 5 3 -1 43.221 86.442 0.383 2.94 12 1.7 0.0 145 5 3 1 43.221 86.442 0.383 2.94 12 4.8 0.2 146 7 0 -1 43.221 86.442 0.383 2.94 6 41.1 5.9 147 7 0 1 43.221 86.442 0.383 2.94 6 38.8 5.3 148 6 0 -3 43.618 87.237 0.386 2.91 6 19.9 1.4 149 6 0 3 43.618 87.237 0.386 2.91 6 24.4 2.1 150 3 0 -5 43.882 87.765 0.387 2.89 6 68.8 16.4 151 3 0 5 43.882 87.765 0.387 2.89 6 68.2 16.1 152 6 2 0 43.901 87.802 0.388 2.89 12 42.1 12.2 153 4 3 -3 44.149 88.297 0.389 2.88 12 52.0 18.6 154 4 3 3 44.149 88.297 0.389 2.88 12 54.6 20.5 155 5 0 -4 44.165 88.329 0.389 2.87 6 22.2 1.7 156 5 0 4 44.165 88.329 0.389 2.87 6 27.3 2.5 157 6 2 -1 44.812 89.623 0.394 2.84 12 67.3 30.7 158 6 2 1 44.812 89.623 0.394 2.84 12 66.8 30.3 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 1 0 0 5.518 11.036 9.30189 170.3 6.3 6.4 5.6 2 0 0 1 7.242 14.484 7.0955 46.3 1.7 1.7 5.6 3 1 0 1 9.123 18.245 5.64155 125.5 4.7 4.7 5.6 4 1 1 0 9.587 19.175 5.37045 472.0 17.5 17.6 5.6 5 2 0 0 11.088 22.176 4.65095 410.1 15.2 15.3 5.6 6 2 0 1 13.294 26.588 3.88979 2693.7 100.0 100.0 5.6 7 0 0 2 14.603 29.206 3.54775 553.3 20.5 20.5 5.6 8 2 1 0 14.739 29.478 3.51578 74.3 2.8 2.8 5.6 9 1 0 2 15.654 31.309 3.31483 383.5 14.2 14.2 5.6 10 2 1 1 16.495 32.99 3.15027 1195.9 44.4 44.2 5.6 11 3 0 0 16.767 33.534 3.10063 297.5 11.0 11.0 5.7 12 1 1 2 17.588 35.175 2.96016 358.3 13.3 13.2 5.7 13 3 0 1 18.35 36.7 2.8412 630.3 23.4 23.2 5.7 14 2 0 2 18.487 36.975 2.82077 2295.3 85.2 84.5 5.7 15 2 2 0 19.457 38.915 2.68523 2022.5 75.1 74.3 5.7 16 3 1 0 20.286 40.572 2.57988 68.9 2.6 2.5 5.7 17 2 2 1 20.865 41.729 2.5114 144.3 5.4 5.3 5.7 18 2 1 2 20.988 41.977 2.49726 121.9 4.5 4.5 5.7 19 3 1 1 21.649 43.297 2.42459 215.1 8.0 7.9 5.7 20 3 0 2 22.527 45.055 2.33465 397.9 14.8 14.5 5.7 21 4 0 0 22.621 45.242 2.32547 273.2 10.1 10.0 5.7 22 4 0 1 23.876 47.753 2.20982 830.8 30.8 30.2 5.7 23 2 2 2 24.693 49.386 2.14109 1138.4 42.3 41.3 5.7 24 3 2 0 24.781 49.562 2.134 129.1 4.8 4.7 5.7 25 2 0 3 25.105 50.209 2.10822 582.7 21.6 21.1 5.8 26 3 1 2 25.384 50.768 2.08653 154.9 5.8 5.6 5.8 27 4 1 0 26.146 52.291 2.02984 144.9 5.4 5.2 5.8 28 2 1 3 27.116 54.232 1.96243 234.4 8.7 8.5 5.8 29 4 1 1 27.28 54.559 1.95155 84.2 3.1 3.0 5.8 30 4 0 2 27.381 54.761 1.9449 92.1 3.4 3.3 5.8 31 3 0 3 28.401 56.803 1.88052 142.7 5.3 5.1 5.8 32 3 2 2 29.283 58.567 1.82867 310.9 11.5 11.2 5.8 33 5 0 1 29.805 59.61 1.79955 202.3 7.5 7.2 5.8 34 0 0 4 30.281 60.562 1.77387 284.2 10.5 10.2 5.8 35 4 1 2 30.51 61.019 1.76185 95.8 3.6 3.4 5.8 36 4 2 0 30.586 61.171 1.75789 73.0 2.7 2.6 5.8 37 3 1 3 30.868 61.735 1.7434 118.2 4.4 4.2 5.8 38 4 2 1 31.615 63.23 1.70631 478.7 17.8 17.1 5.9 39 1 1 4 32.075 64.151 1.68437 43.7 1.6 1.6 5.9 40 5 1 0 32.37 64.741 1.67067 43.6 1.6 1.6 5.9 41 4 0 3 32.644 65.287 1.65821 181.8 6.7 6.5 5.9 42 5 1 1 33.369 66.738 1.6262 53.0 2.0 1.9 5.9 43 4 2 2 34.601 69.203 1.57513 470.1 17.5 16.6 5.9 44 6 0 0 35.237 70.473 1.55032 184.2 6.8 6.5 5.9 45 3 0 4 35.516 71.032 1.53971 94.0 3.5 3.3 5.9 46 4 3 0 35.797 71.594 1.52922 53.3 2.0 1.9 5.9 47 4 3 1 36.751 73.502 1.4949 36.4 1.4 1.3 6.0 48 5 2 0 36.907 73.813 1.48949 48.2 1.8 1.7 6.0 49 2 2 4 37.181 74.362 1.48008 452.8 16.8 15.8 6.0 50 5 0 3 37.713 75.426 1.46224 92.0 3.4 3.2 6.0 51 5 2 1 37.85 75.701 1.45772 105.3 3.9 3.7 6.0 52 6 0 2 39.023 78.046 1.4206 159.5 5.9 5.5 6.0 53 6 1 0 39.091 78.182 1.41853 46.3 1.7 1.6 6.0 54 4 2 3 39.344 78.688 1.41088 320.9 11.9 11.1 6.0 55 5 2 2 40.639 81.278 1.37337 66.1 2.5 2.3 6.1 56 3 2 4 40.973 81.946 1.36413 87.7 3.3 3.0 6.1 57 2 0 5 41.223 82.445 1.35732 70.5 2.6 2.4 6.1 58 4 4 0 41.775 83.55 1.34261 240.9 8.9 8.2 6.1 59 4 1 4 42.04 84.081 1.33571 49.6 1.8 1.7 6.1 60 7 0 0 42.308 84.616 1.32884 33.6 1.2 1.1 6.1 61 6 1 2 42.773 85.545 1.31714 103.1 3.8 3.5 6.1 62 2 1 5 42.821 85.642 1.31594 51.0 1.9 1.7 6.1 63 3 0 5 43.882 87.765 1.29037 44.7 1.7 1.5 6.2 64 4 3 3 44.149 88.297 1.28418 43.3 1.6 1.5 6.2 65 6 2 1 44.812 89.623 1.26914 61.0 2.3 2.1 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) |