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 *** *********************** KULIOKITE_Y 1 Y(4)AlSi(2)O(7.5)F(5)(OH)(3) Triclinic P 1 Z = 1 R =0.066 NR =975 14 .12 .1989 Ref.Str.: Sokolova E.V., Egorov-Tismenko Yu.K., Voloshin A.V., Pachomovski Ya.A. (1986) * Dokl. Akad. Nauk SSSR, 289, 6, 1378-1382 Initial data from BDM-file Lattice parameters (cub. angs.,degr.): a = 8.606 alpha = 102.79 b = 8.672 beta = 97.94 c = 4.317 gamma = 116.66 Unit cell volume (cub. angs.) = 270.16 Molar volume ( cub.cm/mol.) = 162.73 Co-ordinates, thermal parameters, occupation for atomic positions: NoP x/a y/b z/c B(j) atom / occupation 1 0.2938 0.4489 0.318 0.61 Y = 1.00 2 0.2614 0.803 0.9857 0.64 Y = 1.00 3 0.7405 0.5424 0.7237 0.45 Y = 1.00 4 0.7098 0.1575 0.0266 0.46 Y = 1.00 5 0.0 0.0 0.0 0.1 Al = 1.00 6 0.691 0.842 0.352 0.3 Si = 1.00 7 0.311 0.15 0.66 0.2 Si = 1.00 8 0.732 0.436 0.17 0.7 F = 1.00 9 0.261 0.704 0.461 0.6 F = 1.00 10 0.277 0.532 0.848 1.0 F = 1.00 11 0.716 0.249 0.572 0.7 F = 1.00 12 0.001 0.558 0.91 2.0 F = 1.00 13 0.002 0.808 0.704 0.4 O = 1.00 14 0.421 0.064 0.843 0.5 O = 1.00 15 0.007 0.213 0.298 0.5 O = 1.00 16 0.562 0.898 0.168 1.0 O = 1.00 17 0.814 0.003 0.705 0.6 O = 1.00 18 0.185 0.19 0.899 0.5 O = 1.00 19 0.44 0.343 0.623 0.5 O = 1.00 20 0.82 0.818 0.121 0.5 O = 1.00 21 0.182 0.002 0.315 0.4 O = 1.00 22 0.58 0.644 0.435 0.4 O = 1.00 Co-ordinates for all atomic positions : No NoP x/a y/b z/c 1 1 0.2938 0.4489 0.318 2 2 0.2614 0.803 0.9857 3 3 0.7405 0.5424 0.7237 4 4 0.7098 0.1575 0.0266 5 5 0.0 0.0 0.0 6 6 0.691 0.842 0.352 7 7 0.311 0.15 0.66 8 8 0.732 0.436 0.17 9 9 0.261 0.704 0.461 10 10 0.277 0.532 0.848 11 11 0.716 0.249 0.572 12 12 0.001 0.558 0.91 13 13 0.002 0.808 0.704 14 14 0.421 0.064 0.843 15 15 0.007 0.213 0.298 16 16 0.562 0.898 0.168 17 17 0.814 0.003 0.705 18 18 0.185 0.19 0.899 19 19 0.44 0.343 0.623 20 20 0.82 0.818 0.121 21 21 0.182 0.002 0.315 22 22 0.58 0.644 0.435 X-ray density (g/cm cub.) = 4.26 MU (1/cm) = 342.656 Mass attenuation coefficient (cm**2/g) = 80.384 Selected interatomic distances (cation-anion,anion-anion): NoP Atom Rad.sph. C.N. Distance NoP N. (angs.) (angs.) 1 Y 2.796 7 2.3149 9 2.2869 10 2.3058 10 2.3699 15 2.2443 18 2.2967 19 2.1731 22 2 Y 2.796 8 2.393 9 2.2365 9 2.3624 10 2.2046 12 2.4134 13 2.3346 14 2.2866 16 2.3888 21 3 Y 2.796 8 2.3096 8 2.342 8 2.3853 11 2.2074 12 2.4218 13 2.2827 19 2.3485 20 2.3109 22 4 Y 2.796 7 2.268 8 2.297 11 2.2725 11 2.1967 14 2.4421 15 2.3041 16 2.2639 17 5 Al 2.316 6 1.8696 13 1.9741 15 1.9167 17 1.8962 18 1.8863 20 1.9182 21 6 Si 2.1 4 1.5844 16 1.6365 17 1.6406 20 1.6983 22 7 Si 2.1 4 1.6626 14 1.6879 18 1.5997 19 1.5862 21 8 F 3.228 8 2.6023 11 2.676 11 2.6046 12 3.1018 13 2.9589 14 2.8706 19 3.1138 20 2.809 22 9 F 3.228 9 2.5018 10 2.79 10 3.1795 12 2.6309 12 2.9855 13 2.7563 14 3.0128 16 3.1173 21 3.0268 22 10 F 3.228 8 2.79 9 2.5018 9 2.5286 12 2.9135 15 2.8521 16 2.7752 18 2.7078 19 2.9961 22 11 F 3.228 8 2.676 8 2.6023 8 2.5899 12 2.8956 14 3.0207 15 2.7302 16 2.7595 17 2.8561 19 12 F 3.228 6 2.6046 8 2.6309 9 3.1795 9 2.5286 10 2.5899 11 2.516 13 13 O 3.264 11 3.1018 8 2.9855 9 2.516 12 3.1496 14 2.8163 17 2.8072 18 2.556 20 2.8151 20 2.5991 21 2.7715 21 3.1669 22 14 O 3.264 9 2.9589 8 2.7563 9 2.8956 11 3.1496 13 2.7395 16 2.718 18 2.7364 19 3.0532 21 2.6239 21 15 O 3.264 8 2.9135 10 3.0207 11 2.9446 17 2.5837 17 2.9195 18 2.4909 18 2.9089 20 2.8502 21 16 O 3.264 9 3.0128 9 3.2384 9 2.8521 10 2.7302 11 2.7395 14 2.6098 17 3.1239 17 2.6262 20 2.7542 22 17 O 3.264 10 2.7595 11 2.8163 13 2.5837 15 2.9446 15 3.1239 16 2.6098 16 2.7457 18 2.6695 20 2.693 20 2.6879 22 18 O 3.264 10 2.7752 10 2.8072 13 2.718 14 2.4909 15 2.9195 15 2.7457 17 3.1625 19 2.6087 19 2.6749 21 2.6719 21 19 O 3.264 8 2.8706 8 2.7078 10 2.8561 11 2.7364 14 2.6087 18 3.1625 18 2.6446 21 2.7036 22 20 O 3.264 10 3.1138 8 2.8151 13 2.556 13 2.9089 15 2.6262 16 2.693 17 2.6695 17 2.6795 21 2.6949 22 2.9746 22 21 O 3.264 10 3.1173 9 2.7715 13 2.5991 13 2.6239 14 3.0532 14 2.8502 15 2.6719 18 2.6749 18 2.6446 19 2.6795 20 22 O 3.264 9 2.809 8 3.0268 9 2.9961 10 3.1669 13 2.7542 16 2.6879 17 2.7036 19 2.9746 20 2.6949 20 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 5.975 11.95 0.068 181.62 2 17.5 152.2 2 -1 1 0 6.021 12.043 0.068 178.79 2 8.5 35.8 3 0 1 0 6.022 12.044 0.068 178.74 2 8.7 36.7 4 -2 1 0 10.413 20.827 0.117 58.31 2 40.2 257.7 5 1 1 0 10.415 20.83 0.117 58.29 2 40.9 267.0 6 -1 2 0 10.496 20.992 0.118 57.36 2 43.6 298.8 7 0 -1 1 10.688 21.376 0.12 55.24 2 54.8 454.3 8 0 0 1 10.962 21.925 0.123 52.41 2 43.1 267.3 9 -1 0 1 10.97 21.939 0.124 52.33 2 42.9 264.1 10 2 0 0 12.016 24.032 0.135 43.27 2 137.8 2250.3 11 -2 2 0 12.11 24.221 0.136 42.56 2 22.1 56.9 12 0 2 0 12.112 24.224 0.136 42.55 2 21.0 51.5 13 1 -1 1 12.272 24.544 0.138 41.39 2 16.2 29.6 14 -1 -1 1 12.286 24.572 0.138 41.3 2 15.2 26.1 15 -1 1 1 12.809 25.618 0.144 37.83 2 142.9 2116.3 16 1 -2 1 13.511 27.023 0.152 33.79 2 72.0 479.8 17 0 -2 1 13.518 27.036 0.152 33.76 2 73.1 494.2 18 1 0 1 13.909 27.818 0.156 31.77 2 13.8 16.6 19 -2 0 1 13.927 27.854 0.156 31.69 2 12.1 12.8 20 0 1 1 14.172 28.344 0.159 30.53 2 44.1 162.8 21 -2 1 1 14.183 28.366 0.159 30.48 2 47.6 189.2 22 -3 1 0 16.003 32.007 0.179 23.53 2 40.8 107.1 23 2 1 0 16.005 32.01 0.179 23.52 2 38.1 93.7 24 2 -2 1 16.025 32.049 0.179 23.46 2 117.0 879.4 25 -1 -2 1 16.042 32.084 0.179 23.41 2 116.3 867.0 26 -3 2 0 16.058 32.116 0.18 23.36 2 49.4 156.2 27 1 2 0 16.061 32.121 0.18 23.35 2 47.9 146.6 28 -2 3 0 16.15 32.3 0.181 23.07 2 78.3 387.4 29 -1 3 0 16.151 32.302 0.181 23.07 2 80.6 410.8 30 2 -1 1 16.178 32.357 0.181 22.98 2 21.0 27.8 31 -2 -1 1 16.2 32.4 0.181 22.92 2 20.6 26.6 32 -1 2 1 16.859 33.718 0.188 21.02 2 21.5 26.5 33 -2 2 1 16.863 33.726 0.188 21.01 2 19.7 22.3 34 1 -3 1 17.054 34.108 0.19 20.5 2 16.9 16.1 35 1 1 1 17.697 35.393 0.197 18.91 2 70.4 256.5 36 -3 1 1 17.714 35.429 0.198 18.87 2 70.4 256.4 37 2 -3 1 18.126 36.252 0.202 17.94 2 14.5 10.4 38 0 -3 1 18.137 36.274 0.202 17.92 2 15.9 12.4 39 3 0 0 18.196 36.393 0.203 17.79 2 82.1 328.7 40 -3 3 0 18.342 36.685 0.204 17.48 2 104.8 526.3 41 0 3 0 18.345 36.69 0.204 17.47 2 104.8 526.0 42 2 0 1 18.538 37.075 0.206 17.08 2 33.9 53.7 43 -3 0 1 18.56 37.121 0.207 17.03 2 33.3 51.6 44 0 2 1 18.976 37.952 0.211 16.22 2 32.3 46.3 45 -3 2 1 18.988 37.975 0.211 16.2 2 35.1 54.8 46 3 -2 1 20.223 40.446 0.224 14.08 2 78.1 235.4 47 -2 -2 1 20.247 40.493 0.225 14.05 2 78.3 235.8 48 3 -3 1 21.069 42.138 0.233 12.85 2 44.8 70.7 49 -1 -3 1 21.088 42.177 0.234 12.83 2 44.5 69.5 50 0 -1 2 21.144 42.287 0.234 12.75 2 80.3 225.5 51 -1 -1 2 21.152 42.304 0.234 12.74 2 81.4 231.3 52 -2 3 1 21.158 42.316 0.234 12.73 2 124.4 539.8 53 -4 2 0 21.192 42.385 0.235 12.68 2 27.0 25.3 54 2 2 0 21.195 42.391 0.235 12.68 2 30.2 31.7 55 3 -1 1 21.284 42.567 0.236 12.56 2 37.0 47.1 56 -3 -1 1 21.309 42.619 0.236 12.53 2 35.8 43.9 57 -2 4 0 21.367 42.733 0.236 12.45 2 27.8 26.3 58 -1 0 2 21.465 42.931 0.238 12.33 2 60.2 122.2 59 0 -2 2 21.772 43.545 0.241 11.94 2 72.1 170.0 60 2 -4 1 21.922 43.843 0.242 11.76 2 48.9 77.1 61 1 -4 1 21.927 43.853 0.242 11.75 2 48.0 74.1 62 -4 1 0 22.056 44.113 0.244 11.6 2 58.0 107.0 63 3 1 0 22.058 44.116 0.244 11.59 2 60.5 116.5 64 -1 3 1 22.062 44.123 0.244 11.59 2 3.5 0.4 65 -3 3 1 22.068 44.136 0.244 11.58 2 8.1 2.1 66 -4 3 0 22.167 44.334 0.245 11.47 2 45.9 66.2 67 1 3 0 22.171 44.342 0.245 11.46 2 46.2 67.1 68 -3 4 0 22.265 44.531 0.246 11.35 2 17.8 9.9 69 -1 4 0 22.267 44.535 0.246 11.35 2 20.3 12.8 70 0 0 2 22.354 44.708 0.247 11.25 2 11.6 4.2 71 -2 0 2 22.37 44.739 0.247 11.23 2 17.5 9.4 72 2 1 1 22.507 45.014 0.248 11.08 2 71.8 156.5 73 -4 1 1 22.529 45.058 0.249 11.05 2 74.7 169.1 74 1 -2 2 22.651 45.302 0.25 10.92 2 24.4 17.9 75 -1 -2 2 22.667 45.335 0.25 10.9 2 21.5 13.9 76 1 2 1 22.709 45.418 0.251 10.86 2 32.5 31.4 77 -4 2 1 22.726 45.452 0.251 10.84 2 32.9 32.2 78 1 -1 2 22.921 45.842 0.253 10.63 2 115.0 385.2 79 -2 -1 2 22.945 45.889 0.253 10.61 2 114.2 379.1 80 -1 1 2 23.549 47.098 0.259 10.0 2 28.4 22.0 81 -2 1 2 23.556 47.113 0.259 9.99 2 28.8 22.8 82 3 -4 1 23.656 47.311 0.26 9.9 2 81.8 181.3 83 0 -4 1 23.67 47.339 0.261 9.89 2 79.8 172.4 84 3 0 1 24.047 48.093 0.265 9.54 2 49.9 65.1 85 -4 0 1 24.072 48.145 0.265 9.51 2 51.9 70.1 86 1 -3 2 24.117 48.235 0.265 9.47 2 20.5 10.9 87 0 -3 2 24.126 48.251 0.265 9.47 2 20.7 11.1 88 4 0 0 24.605 49.211 0.27 9.05 2 111.9 310.6 89 0 3 1 24.619 49.238 0.27 9.04 2 79.8 157.8 90 -4 3 1 24.631 49.262 0.271 9.03 2 79.9 157.9 91 -4 4 0 24.809 49.617 0.272 8.88 2 19.3 9.1 92 0 4 0 24.812 49.625 0.272 8.88 2 17.9 7.8 93 1 0 2 24.884 49.768 0.273 8.82 2 56.5 77.2 94 -3 0 2 24.913 49.826 0.273 8.8 2 54.9 72.7 95 2 -2 2 25.158 50.315 0.276 8.61 2 50.6 60.4 96 -2 -2 2 25.188 50.376 0.276 8.58 2 50.2 59.2 97 0 1 2 25.194 50.388 0.276 8.58 2 38.9 35.5 98 -3 1 2 25.214 50.429 0.277 8.56 2 38.6 35.0 99 4 -3 1 25.353 50.706 0.278 8.46 2 27.9 18.0 100 -2 -3 1 25.378 50.757 0.278 8.44 2 27.6 17.6 101 4 -2 1 25.434 50.868 0.279 8.39 2 84.5 164.4 102 -3 -2 1 25.462 50.924 0.279 8.37 2 85.5 167.7 103 2 -3 2 25.734 51.468 0.282 8.17 2 62.4 87.2 104 -1 -3 2 25.757 51.514 0.282 8.16 2 62.0 85.8 105 2 -1 2 26.2 52.399 0.287 7.85 2 32.6 22.8 106 -3 -1 2 26.235 52.471 0.287 7.82 2 34.9 26.0 107 -2 2 2 26.322 52.643 0.288 7.76 2 156.4 520.3 108 -2 4 1 26.452 52.904 0.289 7.68 2 49.9 52.3 109 -3 4 1 26.455 52.909 0.289 7.68 2 47.9 48.2 110 2 -5 1 26.85 53.7 0.293 7.42 2 115.4 270.9 111 4 -4 1 26.87 53.74 0.293 7.41 2 28.3 16.3 112 -1 -4 1 26.891 53.782 0.294 7.39 2 28.2 16.1 113 -5 2 0 27.029 54.059 0.295 7.31 2 47.6 45.4 114 3 2 0 27.033 54.065 0.295 7.31 2 45.0 40.6 115 -1 2 2 27.088 54.177 0.296 7.27 2 15.7 4.9 116 -5 3 0 27.089 54.178 0.296 7.27 2 117.8 276.6 117 2 3 0 27.093 54.187 0.296 7.27 2 119.4 283.8 118 -3 2 2 27.101 54.202 0.296 7.26 2 15.2 4.6 119 4 -1 1 27.102 54.204 0.296 7.26 2 53.9 57.9 120 1 -4 2 27.107 54.214 0.296 7.26 2 121.4 293.1 121 -4 -1 1 27.131 54.262 0.296 7.25 2 52.4 54.5 122 -3 5 0 27.282 54.565 0.298 7.16 2 33.9 22.5 123 -2 5 0 27.283 54.567 0.298 7.15 2 33.3 21.8 124 2 2 1 27.555 55.111 0.3 7.0 2 5.4 0.6 125 -5 2 1 27.576 55.152 0.3 6.98 2 9.5 1.7 126 3 -5 1 27.608 55.217 0.301 6.96 2 32.5 20.2 127 1 -5 1 27.617 55.234 0.301 6.96 2 31.6 19.0 128 2 -4 2 27.858 55.715 0.303 6.82 2 20.9 8.1 129 0 -4 2 27.873 55.745 0.303 6.82 2 17.9 6.0 130 -1 4 1 27.976 55.952 0.305 6.76 2 103.8 199.7 131 -4 4 1 27.984 55.967 0.305 6.75 2 103.5 198.1 132 3 1 1 28.133 56.266 0.306 6.67 2 62.9 72.4 133 -5 1 1 28.158 56.316 0.306 6.66 2 61.7 69.4 134 1 1 2 28.279 56.558 0.308 6.6 2 49.4 44.2 135 -4 1 2 28.311 56.621 0.308 6.58 2 49.8 44.7 136 1 3 1 28.5 57.0 0.31 6.48 2 29.1 15.0 137 -5 1 0 28.501 57.002 0.31 6.48 2 41.3 30.3 138 4 1 0 28.503 57.005 0.31 6.48 2 39.9 28.3 139 -5 3 1 28.516 57.032 0.31 6.47 2 25.1 11.2 140 -5 4 0 28.673 57.346 0.311 6.39 2 48.8 41.7 141 1 4 0 28.678 57.356 0.312 6.39 2 48.4 41.0 142 2 0 2 28.736 57.471 0.312 6.36 2 20.2 7.1 143 -4 0 2 28.775 57.549 0.312 6.34 2 23.0 9.2 144 3 -3 2 28.778 57.556 0.312 6.34 2 36.6 23.3 145 -4 5 0 28.778 57.556 0.312 6.34 2 66.9 77.8 146 -1 5 0 28.781 57.562 0.313 6.34 2 66.1 75.9 147 -2 -3 2 28.814 57.627 0.313 6.32 2 36.9 23.5 148 3 -2 2 28.983 57.966 0.315 6.24 2 38.0 24.7 149 -3 -2 2 29.024 58.049 0.315 6.22 2 40.8 28.4 150 0 2 2 29.319 58.637 0.318 6.08 2 73.9 90.9 151 -4 2 2 29.343 58.685 0.318 6.07 2 73.2 89.2 152 4 -5 1 29.815 59.629 0.323 5.85 2 108.7 189.6 153 0 -5 1 29.831 59.663 0.323 5.85 2 110.3 195.0 154 3 -4 2 30.049 60.099 0.325 5.75 2 90.3 128.7 155 -1 -4 2 30.078 60.156 0.325 5.74 2 91.1 130.5 156 4 0 1 30.176 60.353 0.326 5.7 2 38.6 23.2 157 -5 0 1 30.205 60.41 0.327 5.69 2 36.2 20.5 158 -2 3 2 30.364 60.727 0.328 5.62 2 12.1 2.2 159 -3 3 2 30.369 60.739 0.328 5.62 2 12.0 2.2 160 5 -3 1 30.601 61.202 0.33 5.52 2 22.0 7.3 161 -3 -3 1 30.631 61.262 0.331 5.51 2 24.0 8.7 162 3 -1 2 30.646 61.293 0.331 5.51 2 137.3 284.5 163 -4 -1 2 30.692 61.383 0.331 5.49 2 138.0 286.3 164 0 4 1 30.876 61.753 0.333 5.41 2 50.5 37.8 165 -5 4 1 30.888 61.776 0.333 5.41 2 52.8 41.4 166 5 -4 1 31.256 62.512 0.337 5.27 2 68.8 68.5 167 -2 -4 1 31.283 62.567 0.337 5.26 2 68.3 67.3 168 2 -5 2 31.318 62.637 0.337 5.25 2 16.1 3.7 169 1 -5 2 31.325 62.651 0.337 5.25 2 16.9 4.1 170 5 0 0 31.363 62.726 0.338 5.23 2 47.5 32.4 171 5 -2 1 31.376 62.751 0.338 5.23 2 27.6 10.9 172 -4 -2 1 31.407 62.814 0.338 5.22 2 26.7 10.2 173 -5 5 0 31.634 63.268 0.34 5.13 2 44.4 27.7 174 0 5 0 31.639 63.277 0.34 5.13 2 46.1 29.9 175 -1 3 2 31.763 63.525 0.342 5.09 2 6.8 0.7 176 -4 3 2 31.779 63.559 0.342 5.08 2 6.9 0.7 177 -3 5 1 31.806 63.612 0.342 5.07 2 9.5 1.3 178 -1 -1 3 32.422 64.844 0.348 4.87 2 44.6 26.5 179 -2 5 1 32.493 64.986 0.349 4.84 2 6.2 0.5 180 -4 5 1 32.497 64.994 0.349 4.84 2 9.9 1.3 181 2 1 2 32.543 65.086 0.349 4.83 2 37.0 18.1 182 -5 1 2 32.584 65.168 0.35 4.81 2 38.5 19.5 183 3 -6 1 32.617 65.234 0.35 4.8 2 13.0 2.2 184 2 -6 1 32.621 65.243 0.35 4.8 2 12.6 2.1 185 3 -5 2 32.693 65.385 0.351 4.78 2 14.7 2.8 186 0 -5 2 32.714 65.427 0.351 4.77 2 13.3 2.3 187 0 -2 3 32.762 65.524 0.351 4.76 2 27.4 9.8 188 -1 -2 3 32.772 65.543 0.351 4.75 2 27.3 9.7 189 1 2 2 32.826 65.652 0.352 4.74 2 67.3 58.9 190 -6 3 0 32.837 65.674 0.352 4.73 2 19.6 5.0 191 3 3 0 32.842 65.684 0.352 4.73 2 17.7 4.1 192 -5 2 2 32.86 65.719 0.352 4.73 2 66.8 57.8 193 4 -3 2 33.002 66.004 0.354 4.68 2 12.1 1.9 194 -3 -3 2 33.048 66.096 0.354 4.67 2 11.3 1.6 195 0 -1 3 33.095 66.19 0.354 4.66 2 11.6 1.7 196 -2 -1 3 33.113 66.227 0.355 4.65 2 9.6 1.2 197 -3 6 0 33.127 66.255 0.355 4.65 2 68.2 59.3 198 3 2 1 33.251 66.502 0.356 4.61 2 43.3 23.7 199 -6 2 1 33.275 66.549 0.356 4.6 2 44.1 24.6 200 5 -5 1 33.293 66.586 0.356 4.6 2 40.5 20.7 201 -1 -5 1 33.317 66.633 0.357 4.59 2 38.8 18.9 202 2 3 1 33.428 66.857 0.358 4.56 2 72.6 65.9 203 -6 3 1 33.448 66.896 0.358 4.55 2 72.1 64.9 204 -1 0 3 33.457 66.913 0.358 4.55 2 53.3 35.4 205 -6 2 0 33.462 66.925 0.358 4.55 2 37.0 17.1 206 -2 0 3 33.466 66.931 0.358 4.55 2 52.2 33.9 207 4 2 0 33.466 66.932 0.358 4.55 2 36.8 16.8 208 4 -4 2 33.511 67.022 0.358 4.53 2 53.4 35.5 209 5 -1 1 33.524 67.048 0.358 4.53 2 19.4 4.7 210 -2 -4 2 33.551 67.103 0.359 4.52 2 53.2 35.0 211 -5 -1 1 33.555 67.111 0.359 4.52 2 19.1 4.5 212 -6 4 0 33.588 67.176 0.359 4.51 2 13.0 2.1 213 2 4 0 33.594 67.188 0.359 4.51 2 9.9 1.2 214 3 0 2 33.64 67.28 0.36 4.5 2 42.3 22.0 215 -5 0 2 33.688 67.375 0.36 4.48 2 41.6 21.2 216 -4 6 0 33.801 67.602 0.361 4.45 2 20.7 5.2 217 -2 6 0 33.803 67.607 0.361 4.45 2 16.3 3.3 218 0 -3 3 33.806 67.612 0.361 4.45 2 75.1 68.7 219 4 -2 2 33.866 67.732 0.362 4.44 2 29.3 10.4 220 -4 -2 2 33.917 67.833 0.362 4.42 2 27.0 8.8 221 4 -6 1 33.966 67.932 0.363 4.41 2 40.3 19.6 222 1 -6 1 33.978 67.957 0.363 4.4 2 39.8 19.1 223 1 -2 3 34.103 68.206 0.364 4.37 2 35.1 14.8 224 -2 -2 3 34.131 68.262 0.364 4.36 2 33.5 13.4 225 4 1 1 34.438 68.876 0.367 4.28 2 62.2 45.5 226 1 -3 3 34.465 68.929 0.367 4.28 2 30.8 11.1 227 -6 1 1 34.465 68.931 0.367 4.28 2 62.5 45.7 228 0 3 2 34.472 68.943 0.367 4.28 2 19.8 4.6 229 -1 -3 3 34.483 68.967 0.368 4.27 2 32.5 12.4 230 -5 3 2 34.498 68.996 0.368 4.27 2 23.7 6.5 231 -1 5 1 34.515 69.029 0.368 4.26 2 33.0 12.7 232 -5 5 1 34.523 69.045 0.368 4.26 2 32.5 12.3 233 0 0 3 34.785 69.569 0.37 4.2 2 85.6 84.2 234 -3 4 2 34.798 69.596 0.37 4.19 2 35.1 14.2 235 -3 0 3 34.811 69.622 0.371 4.19 2 84.8 82.6 236 1 4 1 34.96 69.92 0.372 4.15 2 92.2 96.9 237 -6 4 1 34.975 69.951 0.372 4.15 2 90.8 93.8 238 1 -1 3 35.092 70.185 0.373 4.12 2 10.5 1.2 239 -3 -1 3 35.128 70.256 0.374 4.11 2 11.6 1.5 240 -2 1 3 35.167 70.334 0.374 4.11 2 8.7 0.9 241 4 -5 2 35.364 70.728 0.376 4.06 2 21.5 5.1 242 -1 -5 2 35.398 70.795 0.376 4.05 2 19.1 4.0 243 -6 1 0 35.429 70.857 0.376 4.04 2 48.6 26.1 244 5 1 0 35.431 70.861 0.376 4.04 2 48.2 25.7 245 -2 4 2 35.453 70.905 0.377 4.04 2 16.7 3.1 246 -4 4 2 35.463 70.925 0.377 4.04 2 20.3 4.5 247 -6 5 0 35.674 71.347 0.379 3.99 2 21.4 5.0 248 1 5 0 35.68 71.36 0.379 3.99 2 20.8 4.7 249 -5 6 0 35.788 71.575 0.38 3.96 2 44.9 21.9 250 -1 6 0 35.792 71.584 0.38 3.96 2 46.5 23.5 251 -1 1 3 35.815 71.63 0.38 3.96 2 16.1 2.8 252 -3 1 3 35.832 71.664 0.38 3.96 2 14.4 2.2 253 2 -6 2 35.912 71.824 0.381 3.94 2 29.8 9.6 254 4 -1 2 36.056 72.111 0.382 3.91 2 17.7 3.4 255 -5 -1 2 36.109 72.218 0.383 3.9 2 15.3 2.5 256 1 -4 3 36.159 72.317 0.383 3.89 2 14.0 2.1 257 0 -4 3 36.168 72.336 0.383 3.88 2 16.6 2.9 258 2 -3 3 36.427 72.854 0.385 3.83 2 80.4 67.9 259 -2 -3 3 36.463 72.927 0.386 3.82 2 82.2 70.9 260 3 -6 2 36.556 73.112 0.387 3.81 2 2.7 0.1 261 1 -6 2 36.57 73.14 0.387 3.8 2 4.6 0.2 262 5 -6 1 36.596 73.193 0.387 3.8 2 16.0 2.7 263 0 -6 1 36.616 73.232 0.387 3.79 2 15.6 2.5 264 6 -4 1 36.621 73.243 0.387 3.79 2 23.3 5.6 265 -3 -4 1 36.654 73.307 0.388 3.79 2 27.0 7.6 266 6 -3 1 36.667 73.333 0.388 3.78 2 29.0 8.7 267 -4 -3 1 36.701 73.401 0.388 3.78 2 25.2 6.6 268 2 -2 3 36.724 73.448 0.388 3.77 2 21.7 4.9 269 -3 -2 3 36.769 73.537 0.389 3.76 2 20.8 4.5 270 5 0 1 36.928 73.856 0.39 3.73 2 15.4 2.4 271 -6 0 1 36.959 73.919 0.39 3.73 2 14.6 2.2 272 1 0 3 37.385 74.771 0.394 3.65 2 48.0 23.1 273 -1 4 2 37.397 74.794 0.394 3.65 2 41.6 17.3 274 -5 4 2 37.417 74.834 0.394 3.64 2 43.2 18.6 275 -4 0 3 37.428 74.856 0.395 3.64 2 45.7 20.9 276 2 2 2 37.442 74.884 0.395 3.64 2 75.4 56.7 277 2 -4 3 37.444 74.887 0.395 3.64 2 24.3 5.9 278 -1 -4 3 37.471 74.943 0.395 3.63 2 24.6 6.0 279 -6 2 2 37.485 74.969 0.395 3.63 2 73.5 53.8 280 0 1 3 37.749 75.498 0.397 3.59 2 22.5 5.0 281 0 5 1 37.773 75.546 0.398 3.58 2 30.4 9.1 282 -4 1 3 37.782 75.564 0.398 3.58 2 21.5 4.5 283 -6 5 1 37.784 75.569 0.398 3.58 2 31.6 9.8 284 3 1 2 37.818 75.636 0.398 3.57 2 29.8 8.7 285 -6 1 2 37.867 75.734 0.398 3.57 2 31.5 9.7 286 6 -5 1 37.885 75.771 0.399 3.56 2 52.1 26.5 287 -2 -5 1 37.915 75.83 0.399 3.56 2 51.7 26.1 288 -3 6 1 38.004 76.008 0.4 3.54 2 45.1 19.8 289 -4 6 1 38.006 76.012 0.4 3.54 2 46.5 21.0 290 6 -2 1 38.019 76.039 0.4 3.54 2 61.7 36.9 291 -5 -2 1 38.054 76.109 0.4 3.53 2 62.4 37.7 292 5 -4 2 38.089 76.178 0.4 3.53 2 62.2 37.4 293 -2 2 3 38.139 76.278 0.401 3.52 2 38.0 13.9 294 -3 -4 2 38.14 76.28 0.401 3.52 2 61.5 36.5 295 -3 2 3 38.147 76.295 0.401 3.52 2 39.1 14.7 296 5 -3 2 38.248 76.496 0.402 3.5 2 26.3 6.7 297 -4 -3 2 38.304 76.607 0.402 3.49 2 31.4 9.4 298 2 -1 3 38.324 76.648 0.403 3.49 2 23.6 5.3 299 1 3 2 38.368 76.735 0.403 3.48 2 10.4 1.0 300 -4 -1 3 38.376 76.752 0.403 3.48 2 21.0 4.2 301 -6 3 2 38.403 76.807 0.403 3.48 2 8.3 0.7 302 4 -6 2 38.478 76.955 0.404 3.47 2 50.0 23.8 303 0 -6 2 38.504 77.009 0.404 3.46 2 51.4 25.1 304 3 -7 1 38.548 77.096 0.405 3.46 2 77.4 56.8 305 6 0 0 38.649 77.298 0.405 3.44 2 22.1 4.6 306 -6 6 0 39.005 78.01 0.409 3.39 2 49.0 22.3 307 0 6 0 39.011 78.022 0.409 3.39 2 47.4 20.9 308 1 -5 3 39.116 78.232 0.41 3.37 2 72.8 49.0 309 4 -7 1 39.179 78.359 0.41 3.36 2 17.1 2.7 310 2 -7 1 39.187 78.375 0.41 3.36 2 14.6 2.0 311 5 -5 2 39.224 78.448 0.41 3.36 2 11.8 1.3 312 -2 -5 2 39.269 78.539 0.411 3.35 2 11.8 1.3 313 -2 6 1 39.275 78.551 0.411 3.35 2 59.4 32.4 314 -5 6 1 39.281 78.561 0.411 3.35 2 60.6 33.7 315 3 3 1 39.288 78.575 0.411 3.35 2 18.6 3.2 316 -7 3 1 39.31 78.621 0.411 3.35 2 20.0 3.7 317 -7 3 0 39.37 78.741 0.412 3.34 2 65.9 39.7 318 4 3 0 39.376 78.752 0.412 3.34 2 65.5 39.2 319 -1 2 3 39.403 78.806 0.412 3.33 2 37.2 12.7 320 -4 2 3 39.427 78.854 0.412 3.33 2 36.6 12.2 321 -7 4 0 39.439 78.879 0.412 3.33 2 26.0 6.1 322 3 4 0 39.446 78.893 0.412 3.33 2 25.6 6.0 323 4 0 2 39.483 78.966 0.413 3.32 2 25.4 5.9 324 -6 0 2 39.539 79.078 0.413 3.31 2 26.8 6.5 325 3 -3 3 39.618 79.236 0.414 3.3 2 44.9 18.3 326 -3 -3 3 39.671 79.342 0.414 3.3 2 45.0 18.3 327 5 -2 2 39.696 79.391 0.415 3.29 2 25.0 5.6 328 2 -5 3 39.739 79.479 0.415 3.29 2 15.4 2.1 329 4 2 1 39.754 79.508 0.415 3.29 2 22.1 4.4 330 -5 -2 2 39.755 79.51 0.415 3.29 2 26.5 6.3 331 0 -5 3 39.758 79.516 0.415 3.29 2 17.3 2.7 332 -4 7 0 39.769 79.539 0.415 3.28 2 32.2 9.4 333 -3 7 0 39.771 79.541 0.415 3.28 2 31.2 8.7 334 -7 2 1 39.781 79.561 0.415 3.28 2 20.9 3.9 335 3 -4 3 39.98 79.959 0.417 3.26 2 23.0 4.7 336 -2 -4 3 40.025 80.05 0.417 3.25 2 23.3 4.8 337 2 4 1 40.105 80.21 0.418 3.24 2 29.9 7.9 338 -7 4 1 40.124 80.247 0.418 3.24 2 30.8 8.4 339 -3 5 2 40.267 80.535 0.42 3.22 2 48.9 21.1 340 -4 5 2 40.272 80.544 0.42 3.22 2 45.9 18.6 341 6 -6 1 40.418 80.836 0.421 3.2 2 6.4 0.4 342 -1 -6 1 40.445 80.889 0.421 3.2 2 6.6 0.4 343 3 -2 3 40.537 81.074 0.422 3.19 2 19.0 3.2 344 0 4 2 40.567 81.135 0.422 3.19 2 23.6 4.9 345 -7 2 0 40.583 81.165 0.422 3.18 2 45.2 17.9 346 5 2 0 40.587 81.174 0.422 3.18 2 46.5 18.9 347 -6 4 2 40.597 81.193 0.422 3.18 2 21.6 4.1 348 -4 -2 3 40.598 81.195 0.422 3.18 2 18.4 2.9 349 6 -1 1 40.637 81.275 0.423 3.18 2 31.3 8.5 350 -6 -1 1 40.673 81.345 0.423 3.17 2 32.8 9.3 351 -7 5 0 40.788 81.576 0.424 3.16 2 13.7 1.6 352 2 5 0 40.796 81.591 0.424 3.16 2 17.3 2.6 353 1 1 3 40.908 81.816 0.425 3.15 2 21.8 4.1 354 -5 1 3 40.957 81.914 0.425 3.14 2 23.9 4.9 355 -5 7 0 41.026 82.052 0.426 3.14 2 39.6 13.4 356 -2 7 0 41.03 82.059 0.426 3.13 2 38.3 12.6 357 5 -7 1 41.065 82.131 0.426 3.13 2 67.4 39.0 358 1 -7 1 41.081 82.163 0.427 3.13 2 68.4 40.1 359 2 0 3 41.18 82.36 0.427 3.12 2 67.2 38.6 360 -5 0 3 41.238 82.476 0.428 3.11 2 66.9 38.2 361 5 1 1 41.493 82.986 0.43 3.09 2 35.4 10.6 362 -2 5 2 41.517 83.034 0.43 3.08 2 51.4 22.3 363 -7 1 1 41.524 83.048 0.43 3.08 2 35.8 10.8 364 -5 5 2 41.531 83.062 0.43 3.08 2 50.6 21.6 365 3 -7 2 41.541 83.082 0.43 3.08 2 55.2 25.7 366 2 -7 2 41.548 83.095 0.431 3.08 2 55.8 26.3 367 3 -5 3 41.614 83.229 0.431 3.07 2 64.9 35.5 368 5 -6 2 41.623 83.247 0.431 3.07 2 27.0 6.1 369 -1 -5 3 41.651 83.302 0.431 3.07 2 65.4 36.0 370 -1 -6 2 41.663 83.326 0.431 3.07 2 27.9 6.5 371 -3 3 3 41.691 83.382 0.432 3.07 2 103.8 90.6 372 -1 6 1 41.788 83.576 0.433 3.06 2 23.0 4.4 373 -6 6 1 41.797 83.593 0.433 3.06 2 24.1 4.9 374 0 2 3 41.908 83.815 0.434 3.05 2 19.9 3.3 375 -5 2 3 41.947 83.895 0.434 3.04 2 23.2 4.5 376 1 5 1 42.188 84.377 0.436 3.02 2 18.5 2.8 377 -7 5 1 42.204 84.407 0.436 3.02 2 21.2 3.7 378 -2 3 3 42.307 84.615 0.437 3.01 2 24.2 4.8 379 -4 3 3 42.323 84.646 0.437 3.01 2 22.3 4.1 380 5 -1 2 42.399 84.798 0.438 3.0 2 85.2 59.8 381 -6 -1 2 42.461 84.923 0.438 3.0 2 82.8 56.3 382 3 -1 3 42.719 85.438 0.44 2.98 2 32.8 8.8 383 4 -7 2 42.782 85.564 0.441 2.97 2 50.6 20.8 384 -5 -1 3 42.787 85.573 0.441 2.97 2 32.3 8.5 385 1 -7 2 42.802 85.604 0.441 2.97 2 49.4 19.8 386 7 -4 1 42.943 85.886 0.442 2.96 2 71.4 41.4 387 -4 -4 1 42.981 85.962 0.443 2.96 2 70.1 39.7 388 -7 1 0 43.054 86.107 0.443 2.95 2 49.2 19.5 389 6 1 0 43.056 86.112 0.443 2.95 2 47.1 17.9 390 3 2 2 43.11 86.22 0.444 2.95 2 43.1 15.0 391 -7 2 2 43.162 86.323 0.444 2.94 2 40.3 13.1 392 2 -6 3 43.267 86.534 0.445 2.93 2 49.0 19.3 393 1 -6 3 43.276 86.553 0.445 2.93 2 50.0 20.1 394 2 3 2 43.387 86.775 0.446 2.93 2 29.4 6.9 395 -7 6 0 43.392 86.784 0.446 2.93 2 42.6 14.6 396 1 6 0 43.4 86.801 0.446 2.92 2 43.5 15.2 397 -7 3 2 43.432 86.864 0.446 2.92 2 30.6 7.5 398 -6 7 0 43.52 87.04 0.447 2.92 2 22.6 4.1 399 -1 7 0 43.526 87.052 0.447 2.92 2 22.0 3.9 400 7 -5 1 43.541 87.083 0.447 2.91 2 63.1 31.8 401 -3 -5 1 43.577 87.155 0.447 2.91 2 62.5 31.2 402 7 -3 1 43.609 87.217 0.448 2.91 2 43.8 15.3 403 -5 -3 1 43.648 87.296 0.448 2.91 2 46.6 17.3 404 4 -4 3 43.721 87.441 0.449 2.9 2 6.6 0.3 405 6 -4 2 43.737 87.473 0.449 2.9 2 53.0 22.3 406 -3 -4 3 43.783 87.566 0.449 2.9 2 5.9 0.3 407 -4 -4 2 43.798 87.597 0.449 2.9 2 52.3 21.7 408 4 -3 3 43.986 87.972 0.451 2.89 2 42.9 14.6 409 -1 5 2 44.004 88.008 0.451 2.88 2 34.9 9.6 410 -6 5 2 44.027 88.055 0.451 2.88 2 31.9 8.0 411 -4 -3 3 44.056 88.112 0.451 2.88 2 43.3 14.8 412 4 1 2 44.095 88.191 0.452 2.88 2 33.7 8.9 413 -7 1 2 44.154 88.308 0.452 2.87 2 33.8 9.0 414 -1 3 3 44.166 88.332 0.452 2.87 2 74.5 43.7 415 6 -7 1 44.178 88.356 0.452 2.87 2 31.1 7.6 416 -5 3 3 44.197 88.394 0.453 2.87 2 73.1 42.1 417 0 -7 1 44.201 88.403 0.453 2.87 2 32.2 8.2 418 6 -5 2 44.223 88.446 0.453 2.87 2 33.1 8.6 419 -3 -5 2 44.28 88.56 0.453 2.87 2 32.5 8.3 420 6 0 1 44.481 88.962 0.455 2.86 2 36.5 10.4 421 3 -6 3 44.501 89.001 0.455 2.85 2 79.8 49.8 422 6 -3 2 44.512 89.025 0.455 2.85 2 48.1 18.1 423 -7 0 1 44.517 89.034 0.455 2.85 2 33.9 9.0 424 -4 7 1 44.521 89.043 0.455 2.85 2 76.6 45.9 425 0 -6 3 44.528 89.057 0.455 2.85 2 78.2 47.8 426 -5 -3 2 44.578 89.157 0.456 2.85 2 47.6 17.7 427 4 -5 3 44.717 89.434 0.457 2.84 2 28.0 6.1 428 -2 -5 3 44.772 89.543 0.457 2.84 2 25.9 5.2 429 1 4 2 44.926 89.852 0.458 2.83 2 35.5 9.8 430 -7 4 2 44.964 89.929 0.459 2.83 2 36.7 10.5 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 1 0 0 5.975 11.95 7.40004 152.2 6.8 6.8 5.6 2 0 1 0 6.022 12.044 7.34216 72.5 3.2 3.2 5.6 3 1 1 0 10.415 20.83 4.26099 524.6 23.3 23.4 5.6 4 -1 2 0 10.496 20.992 4.22842 298.8 13.3 13.3 5.6 5 0 -1 1 10.688 21.376 4.15336 454.3 20.2 20.2 5.6 6 0 0 1 10.962 21.925 4.05059 531.4 23.6 23.7 5.6 7 2 0 0 12.016 24.032 3.70002 2250.3 100.0 100.0 5.6 8 -2 2 0 12.11 24.221 3.67158 108.5 4.8 4.8 5.6 9 1 -1 1 12.272 24.544 3.62392 55.7 2.5 2.5 5.6 10 -1 1 1 12.809 25.618 3.47436 2116.3 94.0 93.9 5.6 11 0 -2 1 13.518 27.036 3.29526 974.0 43.3 43.2 5.6 12 1 0 1 13.909 27.818 3.20436 29.3 1.3 1.3 5.6 13 -2 1 1 14.183 28.366 3.1438 352.0 15.6 15.6 5.6 14 -1 -2 1 16.042 32.084 2.78742 2250.0 100.0 99.3 5.6 15 -1 3 0 16.151 32.302 2.76908 826.1 36.7 36.5 5.6 16 -2 -1 1 16.2 32.4 2.76093 26.6 1.2 1.2 5.6 17 -1 2 1 16.859 33.718 2.65601 48.9 2.2 2.2 5.7 18 1 1 1 17.697 35.393 2.53399 512.8 22.8 22.6 5.7 19 0 -3 1 18.137 36.274 2.4745 22.8 1.0 1.0 5.7 20 3 0 0 18.196 36.393 2.46668 328.7 14.6 14.5 5.7 21 -3 3 0 18.342 36.685 2.44772 1052.4 46.8 46.3 5.7 22 2 0 1 18.538 37.075 2.42283 105.3 4.7 4.6 5.7 23 -3 2 1 18.988 37.975 2.36744 101.0 4.5 4.4 5.7 24 -2 -2 1 20.247 40.493 2.22584 471.1 20.9 20.6 5.7 25 3 -3 1 21.069 42.138 2.14269 140.1 6.2 6.1 5.7 26 -2 3 1 21.158 42.316 2.13407 996.6 44.3 43.6 5.7 27 2 2 0 21.195 42.391 2.1305 57.0 2.5 2.5 5.7 28 3 -1 1 21.284 42.567 2.12207 91.0 4.0 4.0 5.7 29 -2 4 0 21.367 42.733 2.11421 26.3 1.2 1.1 5.7 30 -1 0 2 21.465 42.931 2.10494 122.2 5.4 5.3 5.7 31 0 -2 2 21.772 43.545 2.07668 170.0 7.6 7.4 5.7 32 2 -4 1 21.922 43.843 2.06322 151.2 6.7 6.6 5.7 33 3 1 0 22.058 44.116 2.05109 226.0 10.0 9.9 5.7 34 1 3 0 22.171 44.342 2.04118 133.3 5.9 5.8 5.7 35 -1 4 0 22.267 44.535 2.03278 22.7 1.0 1.0 5.7 36 -4 1 1 22.529 45.058 2.0104 325.6 14.5 14.2 5.7 37 1 -2 2 22.651 45.302 2.00012 31.7 1.4 1.4 5.7 38 -4 2 1 22.726 45.452 1.99389 63.5 2.8 2.8 5.7 39 1 -1 2 22.921 45.842 1.97781 764.2 34.0 33.3 5.7 40 -2 1 2 23.556 47.113 1.92739 44.8 2.0 1.9 5.7 41 3 -4 1 23.656 47.311 1.91976 353.7 15.7 15.4 5.7 42 -4 0 1 24.072 48.145 1.88845 135.2 6.0 5.9 5.7 43 4 0 0 24.605 49.211 1.85001 626.2 27.8 27.2 5.7 44 1 0 2 24.884 49.768 1.83058 149.9 6.7 6.5 5.7 45 2 -2 2 25.158 50.315 1.81196 60.4 2.7 2.6 5.8 46 -2 -2 2 25.188 50.376 1.80992 129.8 5.8 5.6 5.8 47 4 -3 1 25.353 50.706 1.79889 35.6 1.6 1.5 5.8 48 -3 -2 1 25.462 50.924 1.79172 332.1 14.8 14.4 5.8 49 2 -3 2 25.734 51.468 1.77404 173.1 7.7 7.5 5.8 50 2 -1 2 26.2 52.399 1.74469 22.8 1.0 1.0 5.8 51 -3 -1 2 26.235 52.471 1.74248 26.0 1.2 1.1 5.8 52 -2 2 2 26.322 52.643 1.73718 520.3 23.1 22.5 5.8 53 -2 4 1 26.452 52.904 1.72923 100.6 4.5 4.3 5.8 54 2 -5 1 26.85 53.7 1.70547 287.2 12.8 12.4 5.8 55 -5 2 0 27.029 54.059 1.69499 86.0 3.8 3.7 5.8 56 1 -4 2 27.107 54.214 1.69049 975.3 43.3 42.1 5.8 57 -3 5 0 27.282 54.565 1.68046 44.3 2.0 1.9 5.8 58 3 -5 1 27.608 55.217 1.66215 39.2 1.7 1.7 5.8 59 -1 4 1 27.976 55.952 1.64203 397.8 17.7 17.1 5.8 60 3 1 1 28.133 56.266 1.6336 141.8 6.3 6.1 5.8 61 1 1 2 28.279 56.558 1.62587 44.2 2.0 1.9 5.8 62 -4 1 2 28.311 56.621 1.6242 44.7 2.0 1.9 5.8 63 4 1 0 28.503 57.005 1.61417 84.8 3.8 3.6 5.8 64 -5 4 0 28.673 57.346 1.60538 82.6 3.7 3.5 5.8 65 -1 5 0 28.781 57.562 1.59987 186.2 8.3 8.0 5.8 66 -2 -3 2 28.814 57.627 1.59822 23.5 1.0 1.0 5.8 67 3 -2 2 28.983 57.966 1.58967 24.7 1.1 1.1 5.8 68 -3 -2 2 29.024 58.049 1.58761 28.4 1.3 1.2 5.8 69 0 2 2 29.319 58.637 1.57308 180.1 8.0 7.7 5.8 70 0 -5 1 29.831 59.663 1.54846 384.7 17.1 16.5 5.8 71 -1 -4 2 30.078 60.156 1.53695 259.1 11.5 11.1 5.8 72 4 0 1 30.176 60.353 1.53239 43.7 1.9 1.9 5.8 73 3 -1 2 30.646 61.293 1.51113 293.3 13.0 12.5 5.8 74 -4 -1 2 30.692 61.383 1.50912 286.3 12.7 12.2 5.8 75 -5 4 1 30.888 61.776 1.50046 79.2 3.5 3.4 5.8 76 5 -4 1 31.256 62.512 1.48454 135.7 6.0 5.8 5.8 77 5 0 0 31.363 62.726 1.48001 43.3 1.9 1.8 5.8 78 0 5 0 31.639 63.277 1.46843 57.6 2.6 2.5 5.9 79 -1 -1 3 32.422 64.844 1.43668 26.5 1.2 1.1 5.9 80 1 2 2 32.826 65.652 1.42096 67.9 3.0 2.9 5.9 81 -5 2 2 32.86 65.719 1.41966 57.8 2.6 2.5 5.9 82 -3 6 0 33.127 66.255 1.40947 59.3 2.6 2.5 5.9 83 -6 2 1 33.275 66.549 1.40395 87.9 3.9 3.7 5.9 84 2 3 1 33.428 66.857 1.39823 166.2 7.4 7.0 5.9 85 -2 0 3 33.466 66.931 1.39686 67.8 3.0 2.9 5.9 86 4 -4 2 33.511 67.022 1.39519 40.1 1.8 1.7 5.9 87 -2 -4 2 33.551 67.103 1.39371 39.5 1.8 1.7 5.9 88 0 -3 3 33.806 67.612 1.38445 77.2 3.4 3.3 5.9 89 4 -6 1 33.966 67.932 1.37869 38.7 1.7 1.6 5.9 90 1 -2 3 34.103 68.206 1.37382 28.2 1.3 1.2 5.9 91 -6 1 1 34.465 68.931 1.36114 102.3 4.5 4.3 5.9 92 -1 5 1 34.515 69.029 1.35944 48.5 2.2 2.0 5.9 93 0 0 3 34.785 69.569 1.3502 181.0 8.0 7.6 5.9 94 1 4 1 34.96 69.92 1.34428 190.6 8.5 8.0 5.9 95 -6 1 0 35.429 70.857 1.32878 54.9 2.4 2.3 5.9 96 -1 6 0 35.792 71.584 1.31707 48.2 2.1 2.0 5.9 97 2 -3 3 36.427 72.854 1.29722 67.9 3.0 2.8 6.0 98 -2 -3 3 36.463 72.927 1.29609 70.9 3.1 3.0 6.0 99 1 0 3 37.385 74.771 1.26863 40.4 1.8 1.7 6.0 100 2 2 2 37.442 74.884 1.267 102.1 4.5 4.3 6.0 101 -6 2 2 37.485 74.969 1.26577 59.8 2.7 2.5 6.0 102 -6 5 1 37.784 75.569 1.25721 28.4 1.3 1.2 6.0 103 6 -5 1 37.885 75.771 1.25436 62.3 2.8 2.6 6.0 104 6 -2 1 38.019 76.039 1.2506 77.7 3.5 3.2 6.0 105 -5 -2 1 38.054 76.109 1.24962 37.7 1.7 1.6 6.0 106 5 -4 2 38.089 76.178 1.24866 37.4 1.7 1.6 6.0 107 -3 2 3 38.147 76.295 1.24704 65.1 2.9 2.7 6.0 108 0 -6 2 38.504 77.009 1.23725 48.9 2.2 2.0 6.0 109 3 -7 1 38.548 77.096 1.23606 56.8 2.5 2.4 6.0 110 -6 6 0 39.005 78.01 1.22386 43.1 1.9 1.8 6.0 111 1 -5 3 39.116 78.232 1.22094 49.0 2.2 2.0 6.0 112 3 3 1 39.288 78.575 1.21646 74.3 3.3 3.1 6.0 113 -7 3 0 39.37 78.741 1.21432 78.9 3.5 3.3 6.0 114 -1 2 3 39.403 78.806 1.21348 24.9 1.1 1.0 6.0 115 -3 -3 3 39.671 79.342 1.20661 23.9 1.1 1.0 6.0 116 -4 7 0 39.769 79.539 1.20413 37.6 1.7 1.6 6.0 117 -3 5 2 40.267 80.535 1.19173 39.7 1.8 1.6 6.1 118 5 2 0 40.587 81.174 1.18395 48.6 2.2 2.0 6.1 119 -5 7 0 41.026 82.052 1.17349 26.0 1.2 1.1 6.1 120 1 -7 1 41.081 82.163 1.17219 79.1 3.5 3.2 6.1 121 2 0 3 41.18 82.36 1.16988 38.6 1.7 1.6 6.1 122 -5 0 3 41.238 82.476 1.16852 38.2 1.7 1.6 6.1 123 -2 5 2 41.517 83.034 1.16208 32.9 1.5 1.3 6.1 124 2 -7 2 41.548 83.095 1.16138 84.5 3.8 3.5 6.1 125 3 -5 3 41.614 83.229 1.15986 41.6 1.8 1.7 6.1 126 -1 -5 3 41.651 83.302 1.15903 42.5 1.9 1.7 6.1 127 -3 3 3 41.691 83.382 1.15812 90.6 4.0 3.7 6.1 128 5 -1 2 42.399 84.798 1.14236 59.8 2.7 2.4 6.1 129 -6 -1 2 42.461 84.923 1.141 56.3 2.5 2.3 6.1 130 4 -7 2 42.782 85.564 1.13408 49.1 2.2 2.0 6.1 131 7 -4 1 42.943 85.886 1.13065 41.4 1.8 1.7 6.1 132 -4 -4 1 42.981 85.962 1.12985 39.7 1.8 1.6 6.1 133 -7 1 0 43.054 86.107 1.12831 37.5 1.7 1.5 6.1 134 1 -6 3 43.276 86.553 1.12364 39.4 1.8 1.6 6.1 135 1 6 0 43.4 86.801 1.12107 36.7 1.6 1.5 6.1 136 7 -5 1 43.541 87.083 1.11817 39.7 1.8 1.6 6.1 137 -3 -5 1 43.577 87.155 1.11743 31.2 1.4 1.3 6.2 138 4 -3 3 43.986 87.972 1.10914 24.2 1.1 1.0 6.2 139 -4 -3 3 44.056 88.112 1.10774 22.8 1.0 0.9 6.2 140 -1 3 3 44.166 88.332 1.10555 60.3 2.7 2.4 6.2 141 -5 3 3 44.197 88.394 1.10494 58.8 2.6 2.4 6.2 142 0 -6 3 44.528 89.057 1.09842 181.0 8.0 7.3 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) |