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 *** *********************** CHALCANTHITE 1, at 21'C, f-chalcanthite CuSO(4).5H(2)O Triclinic P 1(-) Z = 2 R =0.021 NR =2725 14 .9 .1992 Ref.Str.: Ishakova L.D., Trunov V.K., Shchegoleva T.M., Iliuchin V.V., Vedernikov A.A. (1983) * Kristallogr., 28, 4, 651-657 Reserv: Sample grown in space Initial data from BDM-file Lattice parameters (cub. angs.,degr.): a = 6.116 alpha = 82.36 b = 10.716 beta = 107.31 c = 5.961 gamma = 102.61 Unit cell volume (cub. angs.) = 363.02 Molar volume ( cub.cm/mol.) = 109.33 Co-ordinates, thermal parameters, occupation for atomic positions: NoP x/a y/b z/c B(j) atom / occupation 1 0.0 0.0 0.0 0.0 Cu = 1.00 2 0.5 0.5 0.0 0.0 Cu = 1.00 3 0.0132 0.2864 0.6253 0.0 S = 1.00 4 0.0435 0.3014 0.3845 0.0 O = 1.00 5 0.2447 0.3176 0.7963 0.0 O = 1.00 6 0.8598 0.3722 0.6367 0.0 O = 1.00 7 0.9076 0.152 0.6736 0.0 O = 1.00 8 0.289 0.1174 0.1482 0.0 O = 1.00 9 0.8175 0.0734 0.1513 0.0 O = 1.00 10 0.5346 0.5935 0.7032 0.0 O = 1.00 11 0.2454 0.5836 0.981 0.0 O = 1.00 12 0.4341 0.1242 0.6278 0.0 O = 1.00 13 0.31 0.196 0.058 0.0 H = 1.00 14 0.338 0.112 0.3 0.0 H = 1.00 15 0.735 0.031 0.216 0.0 H = 1.00 16 0.877 0.136 0.22 0.0 H = 1.00 17 0.653 0.612 0.668 0.0 H = 1.00 18 0.407 0.602 0.586 0.0 H = 1.00 19 0.214 0.596 0.075 0.0 H = 1.00 20 0.15 0.599 0.873 0.0 H = 1.00 21 0.581 0.131 0.663 0.0 H = 1.00 22 0.429 0.185 0.688 0.0 H = 1.00 Co-ordinates for all atomic positions : No NoP x/a y/b z/c 1 1 0.0 0.0 0.0 2 2 0.5 0.5 0.0 3 3 0.0132 0.2864 0.6253 4 4 0.0435 0.3014 0.3845 5 5 0.2447 0.3176 0.7963 6 6 0.8598 0.3722 0.6367 7 7 0.9076 0.152 0.6736 8 8 0.289 0.1174 0.1482 9 9 0.8175 0.0734 0.1513 10 10 0.5346 0.5935 0.7032 11 11 0.2454 0.5836 0.981 12 12 0.4341 0.1242 0.6278 13 13 0.31 0.196 0.058 14 14 0.338 0.112 0.3 15 15 0.735 0.031 0.216 16 16 0.877 0.136 0.22 17 17 0.653 0.612 0.668 18 18 0.407 0.602 0.586 19 19 0.214 0.596 0.075 20 20 0.15 0.599 0.873 21 21 0.581 0.131 0.663 22 22 0.429 0.185 0.688 23 3 0.9868 0.7136 0.3747 24 4 0.9565 0.6986 0.6155 25 5 0.7553 0.6824 0.2037 26 6 0.1402 0.6278 0.3633 27 7 0.0924 0.848 0.3264 28 8 0.711 0.8826 0.8518 29 9 0.1825 0.9266 0.8487 30 10 0.4654 0.4065 0.2968 31 11 0.7546 0.4164 0.019 32 12 0.5659 0.8758 0.3722 33 13 0.69 0.804 0.942 34 14 0.662 0.888 0.7 35 15 0.265 0.969 0.784 36 16 0.123 0.864 0.78 37 17 0.347 0.388 0.332 38 18 0.593 0.398 0.414 39 19 0.786 0.404 0.925 40 20 0.85 0.401 0.127 41 21 0.419 0.869 0.337 42 22 0.571 0.815 0.312 X-ray density (g/cm cub.) = 2.28 MU (1/cm) = 72.052 Mass attenuation coefficient (cm**2/g) = 31.554 Selected interatomic distances (cation-anion,anion-anion): NoP Atom Rad.sph. C.N. Distance NoP N. (angs.) (angs.) 1 Cu 2.808 6 2.3794 7 1.9704 8 1.9619 9 2.3794 7 1.9704 8 1.9619 9 2 Cu 2.808 6 2.4298 5 1.9592 10 1.9283 11 2.4298 5 1.9592 10 1.9283 11 3 S 1.98 4 1.4844 4 1.4765 5 1.4707 6 1.4733 7 4 O 3.264 7 2.4067 5 2.4039 6 2.4007 7 2.8459 9 3.2567 12 2.7525 10 2.7076 11 5 O 3.264 9 2.4067 4 2.4313 6 2.4053 7 2.7919 8 3.1712 10 3.1887 11 2.9901 12 3.0705 10 3.0128 11 6 O 3.264 5 2.4039 4 2.4313 5 2.4148 7 2.7089 10 2.6688 11 7 O 3.264 9 2.4007 4 2.4053 5 2.4148 6 3.1231 8 3.0356 9 3.1905 9 2.7792 12 3.0553 8 3.1316 9 8 O 3.264 7 2.7919 5 3.1231 7 2.8239 9 2.7356 12 3.0553 7 2.7366 9 3.2009 10 9 O 3.264 7 2.8459 4 3.1905 7 3.0356 7 2.8239 8 3.1316 7 2.7366 8 2.7616 12 10 O 3.264 8 3.1712 5 2.7379 11 2.7525 4 3.0705 5 2.7089 6 3.2009 8 3.2214 10 2.7599 11 11 O 3.264 7 3.1887 5 2.7379 10 2.7076 4 3.0128 5 2.6688 6 2.7599 10 3.1972 11 12 O 3.264 5 3.2567 4 2.9901 5 2.7792 7 2.7356 8 2.7616 9 13 H 1.632 1 0.9427 8 14 H 1.632 1 0.8627 8 15 H 1.632 1 0.7609 9 16 H 1.632 1 0.7923 9 17 H 1.632 1 0.7902 10 18 H 1.632 1 0.8916 10 19 H 1.632 1 0.6806 11 20 H 1.632 1 0.7564 11 21 H 1.632 1 0.8484 12 22 H 1.632 1 0.7952 12 X-ray diffraction powder data (II), X-Ray W.L. = 1.54056(angs.): No H K L Theta 2*Theta S LPG MF F I int. ( degree ) *100 1 0 1 0 4.235 8.471 0.048 363.68 2 9.1 46.0 2 1 0 0 7.72 15.441 0.087 107.87 2 36.6 219.0 3 0 0 1 7.8 15.6 0.088 105.64 2 25.6 105.2 4 -1 1 0 8.079 16.159 0.091 98.31 2 51.4 394.2 5 0 2 0 8.494 16.988 0.096 88.73 2 22.7 69.1 6 0 1 1 8.609 17.219 0.097 86.31 2 31.8 132.4 7 0 -1 1 9.159 18.317 0.103 76.01 2 18.8 40.6 8 -1 0 1 9.341 18.681 0.105 73.0 2 23.3 60.0 9 -1 1 1 9.384 18.768 0.106 72.3 2 82.5 747.7 10 1 1 0 9.502 19.003 0.107 70.47 2 37.4 149.5 11 -1 2 0 10.365 20.729 0.117 58.88 2 30.7 84.3 12 -1 -1 1 11.091 22.183 0.125 51.15 2 36.7 104.3 13 0 2 1 11.137 22.274 0.125 50.71 2 78.9 479.0 14 -1 2 1 11.202 22.403 0.126 50.1 2 14.5 15.9 15 0 -2 1 11.991 23.982 0.135 43.46 2 92.2 560.5 16 1 0 1 12.465 24.93 0.14 40.06 2 21.3 27.5 17 1 2 0 12.57 25.14 0.141 39.36 2 49.2 144.5 18 0 3 0 12.801 25.602 0.144 37.88 2 22.7 29.7 19 1 -1 1 12.889 25.778 0.145 37.34 2 39.8 89.7 20 1 1 1 13.479 26.957 0.151 33.97 2 84.9 371.8 21 -1 3 0 13.675 27.35 0.153 32.94 2 53.8 144.8 22 -1 -2 1 14.007 28.014 0.157 31.3 2 44.3 93.0 23 -1 3 1 14.154 28.309 0.159 30.61 2 0.8 0.0 24 0 3 1 14.551 29.101 0.163 28.86 2 45.8 91.7 25 1 -2 1 14.635 29.269 0.164 28.51 2 60.2 156.7 26 -2 1 1 14.985 29.97 0.168 27.1 2 15.5 9.9 27 -2 1 0 15.358 30.716 0.172 25.71 2 35.8 50.1 28 -1 1 2 15.37 30.74 0.172 25.67 2 14.6 8.3 29 -2 0 1 15.382 30.764 0.172 25.62 2 11.3 4.9 30 -1 0 2 15.506 31.012 0.174 25.19 2 17.9 12.3 31 0 -3 1 15.553 31.107 0.174 25.02 2 17.8 12.0 32 2 0 0 15.586 31.171 0.174 24.91 2 58.2 127.9 33 1 2 1 15.673 31.346 0.175 24.61 2 2.5 0.2 34 0 0 2 15.749 31.498 0.176 24.36 2 20.8 16.0 35 -2 2 1 15.813 31.627 0.177 24.14 2 92.0 310.1 36 0 1 2 16.024 32.048 0.179 23.46 2 53.8 103.0 37 1 3 0 16.258 32.517 0.182 22.74 2 103.5 369.3 38 -2 2 0 16.325 32.65 0.182 22.54 2 6.1 1.3 39 -1 2 2 16.424 32.848 0.184 22.25 2 48.3 78.8 40 0 -1 2 16.645 33.291 0.186 21.61 2 31.5 32.6 41 -1 -1 2 16.806 33.613 0.188 21.16 2 80.0 205.6 42 -2 -1 1 16.927 33.855 0.189 20.83 2 9.4 2.8 43 2 1 0 16.965 33.93 0.189 20.73 2 19.9 12.5 44 0 4 0 17.183 34.365 0.192 20.17 2 4.3 0.6 45 1 -3 1 17.339 34.678 0.193 19.77 2 30.4 27.7 46 0 2 2 17.421 34.843 0.194 19.57 2 15.6 7.2 47 -1 4 0 17.49 34.98 0.195 19.4 2 42.5 53.3 48 -1 -3 1 17.564 35.128 0.196 19.22 2 22.8 15.1 49 -2 3 1 17.713 35.427 0.197 18.87 2 4.0 0.5 50 -1 4 1 17.733 35.466 0.198 18.82 2 35.3 35.7 51 -2 3 0 18.319 36.638 0.204 17.53 2 36.6 35.7 52 0 4 1 18.42 36.839 0.205 17.32 2 50.7 67.5 53 -2 1 2 18.473 36.946 0.206 17.21 2 1.4 0.1 54 -1 3 2 18.486 36.973 0.206 17.18 2 24.1 15.2 55 0 -2 2 18.563 37.125 0.207 17.03 2 88.2 201.2 56 1 3 1 18.676 37.351 0.208 16.8 2 53.7 73.5 57 -2 0 2 18.942 37.883 0.211 16.28 2 0.4 0.0 58 -2 2 2 19.032 38.064 0.212 16.11 2 44.1 47.6 59 -1 -2 2 19.06 38.12 0.212 16.06 2 38.8 36.7 60 2 2 0 19.278 38.556 0.214 15.66 2 36.4 31.6 61 -2 -2 1 19.379 38.757 0.215 15.48 2 12.2 3.5 62 2 -1 1 19.395 38.789 0.216 15.46 2 1.0 0.0 63 2 0 1 19.447 38.895 0.216 15.36 2 16.2 6.1 64 0 -4 1 19.51 39.021 0.217 15.25 2 33.9 26.6 65 1 0 2 19.549 39.098 0.217 15.19 2 23.8 13.1 66 0 3 2 19.732 39.463 0.219 14.88 2 23.4 12.3 67 1 -1 2 19.966 39.932 0.222 14.49 2 32.9 23.8 68 1 1 2 20.112 40.225 0.223 14.26 2 17.7 6.8 69 1 4 0 20.296 40.591 0.225 13.97 2 4.0 0.3 70 2 -2 1 20.321 40.642 0.225 13.93 2 31.3 20.7 71 -2 -1 2 20.377 40.755 0.226 13.85 2 1.8 0.1 72 -2 4 1 20.425 40.851 0.227 13.77 2 40.4 34.0 73 2 1 1 20.473 40.947 0.227 13.7 2 16.8 5.9 74 -2 3 2 20.547 41.095 0.228 13.59 2 55.1 62.7 75 1 -4 1 20.68 41.361 0.229 13.4 2 11.2 2.6 76 -2 4 0 21.089 42.178 0.234 12.82 2 73.6 105.4 77 0 -3 2 21.265 42.53 0.235 12.59 2 18.0 6.2 78 -1 4 2 21.308 42.616 0.236 12.53 2 2.8 0.1 79 1 -2 2 21.316 42.631 0.236 12.52 2 4.9 0.5 80 -1 -4 1 21.512 43.023 0.238 12.27 2 23.7 10.4 81 1 2 2 21.593 43.185 0.239 12.16 2 3.9 0.3 82 -1 5 0 21.613 43.225 0.239 12.14 2 2.9 0.2 83 0 5 0 21.671 43.342 0.24 12.06 2 30.5 17.0 84 -1 5 1 21.695 43.389 0.24 12.04 2 54.2 53.6 85 -1 -3 2 22.021 44.042 0.243 11.64 2 36.9 24.1 86 2 -3 1 22.124 44.248 0.244 11.52 2 1.3 0.0 87 1 4 1 22.22 44.439 0.245 11.4 2 10.4 1.9 88 -3 1 1 22.237 44.474 0.246 11.38 2 28.7 14.2 89 2 3 0 22.282 44.565 0.246 11.33 2 41.8 30.1 90 2 2 1 22.361 44.722 0.247 11.24 2 98.3 164.7 91 -2 -3 1 22.491 44.981 0.248 11.1 2 21.0 7.5 92 -3 2 1 22.534 45.069 0.249 11.05 2 7.7 1.0 93 0 5 1 22.583 45.165 0.249 11.0 2 5.3 0.5 94 -2 -2 2 22.628 45.256 0.25 10.95 2 27.3 12.3 95 0 4 2 22.726 45.451 0.251 10.84 2 48.0 37.9 96 -3 0 1 22.824 45.649 0.252 10.73 2 6.4 0.7 97 -1 1 3 22.847 45.694 0.252 10.71 2 23.0 8.6 98 -2 4 2 22.862 45.725 0.252 10.69 2 67.6 74.2 99 -1 0 3 23.061 46.122 0.254 10.49 2 19.6 6.1 100 -3 1 0 23.314 46.628 0.257 10.23 2 47.2 34.7 101 1 -3 2 23.467 46.935 0.258 10.08 2 56.1 48.2 102 -1 2 3 23.499 46.997 0.259 10.05 2 25.5 9.9 103 -3 3 1 23.69 47.38 0.261 9.87 2 52.1 40.6 104 -3 2 0 23.715 47.429 0.261 9.84 2 42.8 27.4 105 -2 5 1 23.728 47.456 0.261 9.83 2 14.3 3.1 106 0 -5 1 23.742 47.483 0.261 9.82 2 37.6 21.1 107 3 0 0 23.767 47.534 0.262 9.79 2 1.8 0.0 108 1 3 2 23.852 47.705 0.262 9.71 2 75.5 84.0 109 0 0 3 24.025 48.05 0.264 9.56 2 80.3 93.4 110 -3 1 2 24.093 48.186 0.265 9.5 2 50.8 37.3 111 0 1 3 24.107 48.214 0.265 9.48 2 18.6 5.0 112 -1 -1 3 24.123 48.246 0.265 9.47 2 48.7 34.1 113 -3 -1 1 24.246 48.492 0.267 9.36 2 35.0 17.4 114 -3 2 2 24.261 48.522 0.267 9.35 2 3.0 0.1 115 -2 1 3 24.409 48.819 0.268 9.22 2 19.2 5.2 116 -2 5 0 24.431 48.862 0.268 9.2 2 4.4 0.3 117 1 -5 1 24.466 48.932 0.269 9.17 2 31.6 13.9 118 0 -4 2 24.551 49.103 0.27 9.1 2 64.8 58.0 119 1 5 0 24.59 49.179 0.27 9.07 2 28.5 11.2 120 2 -4 1 24.653 49.305 0.271 9.01 2 41.9 24.0 121 -1 5 2 24.689 49.378 0.271 8.98 2 33.8 15.5 122 -2 2 3 24.749 49.497 0.272 8.93 2 23.4 7.4 123 -3 0 2 24.756 49.512 0.272 8.93 2 4.5 0.3 124 0 -1 3 24.775 49.549 0.272 8.91 2 30.1 12.3 125 -2 0 3 24.895 49.791 0.273 8.81 2 96.2 123.8 126 -3 3 0 24.938 49.876 0.274 8.78 2 57.4 43.8 127 2 3 1 24.958 49.916 0.274 8.76 2 8.7 1.0 128 -1 3 3 24.963 49.927 0.274 8.76 2 41.1 22.5 129 0 2 3 25.015 50.029 0.274 8.72 2 24.1 7.7 130 3 1 0 25.039 50.077 0.275 8.7 2 41.9 23.2 131 -3 3 2 25.248 50.496 0.277 8.54 2 74.9 72.7 132 -1 -4 2 25.508 51.015 0.28 8.34 2 3.3 0.1 133 -2 -3 2 25.529 51.057 0.28 8.32 2 20.8 5.5 134 2 0 2 25.574 51.149 0.28 8.29 2 70.0 61.6 135 -3 4 1 25.616 51.231 0.281 8.26 2 33.1 13.8 136 2 -1 2 25.639 51.279 0.281 8.24 2 43.0 23.2 137 -1 -5 1 25.752 51.503 0.282 8.16 2 85.3 90.1 138 2 4 0 25.802 51.603 0.283 8.12 2 49.2 29.8 139 -2 5 2 25.814 51.628 0.283 8.12 2 18.4 4.2 140 -2 3 3 25.889 51.778 0.283 8.06 2 9.8 1.2 141 -1 6 1 25.947 51.893 0.284 8.02 2 7.6 0.7 142 -1 -2 3 25.954 51.907 0.284 8.02 2 35.4 15.3 143 -1 6 0 25.982 51.964 0.284 8.0 2 15.5 2.9 144 -2 -4 1 26.095 52.189 0.286 7.92 2 45.9 25.3 145 1 5 1 26.16 52.321 0.286 7.87 2 62.6 46.9 146 -2 -1 3 26.173 52.346 0.286 7.86 2 7.2 0.6 147 -3 -1 2 26.204 52.408 0.287 7.84 2 33.4 13.3 148 0 5 2 26.235 52.469 0.287 7.82 2 17.0 3.4 149 1 -4 2 26.273 52.547 0.287 7.8 2 0.0 0.0 150 0 -2 3 26.303 52.606 0.288 7.78 2 31.1 11.4 151 0 6 0 26.304 52.607 0.288 7.78 2 29.0 9.9 152 2 1 2 26.305 52.609 0.288 7.78 2 3.1 0.1 153 -3 -2 1 26.401 52.801 0.289 7.71 2 21.6 5.5 154 2 -2 2 26.495 52.99 0.29 7.65 2 34.2 13.6 155 0 3 3 26.686 53.371 0.292 7.52 2 2.9 0.1 156 1 4 2 26.746 53.491 0.292 7.49 2 10.6 1.3 157 -3 4 0 26.901 53.802 0.294 7.39 2 23.2 6.0 158 -3 4 2 26.988 53.977 0.295 7.33 2 4.6 0.2 159 0 6 1 26.993 53.985 0.295 7.33 2 12.8 1.8 160 3 2 0 27.044 54.088 0.295 7.3 2 15.3 2.6 161 3 -1 1 27.055 54.109 0.295 7.29 2 43.3 20.8 162 -1 4 3 27.145 54.29 0.296 7.24 2 25.3 7.0 163 3 0 1 27.36 54.719 0.298 7.11 2 26.7 7.7 164 -2 6 1 27.483 54.965 0.3 7.04 2 58.9 37.0 165 3 -2 1 27.517 55.035 0.3 7.02 2 14.0 2.1 166 1 0 3 27.567 55.135 0.3 6.99 2 9.1 0.9 167 -2 4 3 27.76 55.52 0.302 6.88 2 50.4 26.6 168 2 -5 1 27.767 55.534 0.302 6.87 2 3.5 0.1 169 2 2 2 27.786 55.571 0.303 6.86 2 31.9 10.6 170 1 1 3 27.902 55.804 0.304 6.8 2 54.6 30.7 171 1 -1 3 27.991 55.981 0.305 6.75 2 24.7 6.2 172 2 -3 2 28.091 56.183 0.306 6.7 2 11.8 1.4 173 2 4 1 28.128 56.256 0.306 6.68 2 70.2 49.9 174 -2 -2 3 28.165 56.331 0.306 6.66 2 23.5 5.6 175 -3 5 1 28.199 56.398 0.307 6.64 2 91.8 84.9 176 0 -6 1 28.218 56.435 0.307 6.63 2 44.0 19.5 177 -2 6 0 28.218 56.436 0.307 6.63 2 39.3 15.5 178 0 -5 2 28.293 56.587 0.308 6.59 2 2.4 0.1 179 -3 -2 2 28.352 56.704 0.308 6.56 2 0.8 0.0 180 3 1 1 28.416 56.831 0.309 6.52 2 65.2 42.0 181 -3 1 3 28.446 56.893 0.309 6.51 2 60.1 35.6 182 -1 -3 3 28.449 56.899 0.309 6.51 2 80.1 63.4 183 -3 2 3 28.496 56.993 0.31 6.48 2 20.7 4.2 184 -1 6 2 28.507 57.015 0.31 6.48 2 7.7 0.6 185 0 -3 3 28.523 57.046 0.31 6.47 2 2.1 0.0 186 1 -6 1 28.606 57.212 0.311 6.43 2 6.5 0.4 187 3 -3 1 28.723 57.446 0.312 6.37 2 30.7 9.1 188 -2 -4 2 28.952 57.904 0.314 6.25 2 81.2 62.6 189 1 2 3 28.978 57.956 0.314 6.24 2 30.3 8.7 190 0 4 3 29.03 58.059 0.315 6.22 2 29.8 8.4 191 1 6 0 29.126 58.251 0.316 6.17 2 34.1 10.9 192 -3 0 3 29.137 58.275 0.316 6.16 2 4.7 0.2 193 1 -2 3 29.151 58.301 0.316 6.16 2 1.7 0.0 194 -3 -3 1 29.179 58.357 0.316 6.14 2 34.5 11.1 195 -2 6 2 29.28 58.559 0.317 6.1 2 70.9 46.6 196 -3 3 3 29.285 58.569 0.318 6.09 2 49.1 22.3 197 -3 5 2 29.392 58.783 0.319 6.05 2 21.5 4.2 198 -1 -5 2 29.415 58.83 0.319 6.03 2 49.2 22.2 199 -3 5 0 29.505 59.01 0.32 5.99 2 32.9 9.9 200 1 -5 2 29.616 59.231 0.321 5.94 2 58.7 31.0 201 3 3 0 29.685 59.37 0.321 5.91 2 42.0 15.8 202 2 5 0 29.737 59.474 0.322 5.89 2 27.6 6.8 203 -1 5 3 29.941 59.883 0.324 5.8 2 41.9 15.5 204 2 3 2 29.944 59.888 0.324 5.8 2 19.2 3.2 205 -2 -5 1 30.101 60.202 0.326 5.73 2 28.7 7.1 206 1 5 2 30.161 60.323 0.326 5.7 2 43.5 16.4 207 0 6 2 30.164 60.328 0.326 5.7 2 50.3 21.9 208 3 2 1 30.171 60.342 0.326 5.7 2 16.4 2.3 209 -1 -6 1 30.262 60.525 0.327 5.66 2 4.5 0.2 210 -2 5 3 30.273 60.547 0.327 5.66 2 11.1 1.1 211 2 -4 2 30.352 60.704 0.328 5.63 2 31.9 8.7 212 -4 2 1 30.368 60.736 0.328 5.62 2 66.2 37.3 213 -4 1 1 30.374 60.748 0.328 5.62 2 23.5 4.7 214 1 6 1 30.439 60.878 0.329 5.59 2 8.8 0.7 215 -1 7 1 30.47 60.94 0.329 5.58 2 27.6 6.4 216 -3 -1 3 30.537 61.075 0.33 5.55 2 23.7 4.7 217 -1 7 0 30.597 61.194 0.33 5.53 2 59.2 29.4 218 3 -4 1 30.615 61.23 0.331 5.52 2 35.2 10.4 219 1 3 3 30.745 61.49 0.332 5.47 2 36.8 11.2 220 -3 4 3 30.775 61.551 0.332 5.45 2 43.5 15.7 221 -2 -3 3 30.785 61.57 0.332 5.45 2 15.4 2.0 222 1 -3 3 30.995 61.99 0.334 5.37 2 49.5 19.9 223 -4 3 1 31.073 62.147 0.335 5.34 2 22.6 4.2 224 -4 0 1 31.092 62.183 0.335 5.33 2 59.5 28.6 225 -3 -3 2 31.11 62.22 0.335 5.33 2 25.3 5.2 226 0 7 0 31.13 62.26 0.336 5.32 2 38.3 11.8 227 -4 2 2 31.14 62.279 0.336 5.31 2 40.8 13.4 228 -1 1 4 31.183 62.367 0.336 5.3 2 63.7 32.7 229 -4 1 2 31.24 62.48 0.337 5.28 2 1.9 0.0 230 -3 6 1 31.344 62.688 0.338 5.24 2 26.2 5.5 231 0 -4 3 31.344 62.689 0.338 5.24 2 34.3 9.4 232 2 -6 1 31.371 62.743 0.338 5.23 2 56.9 25.7 233 -1 0 4 31.451 62.902 0.339 5.2 2 14.9 1.7 234 -1 -4 3 31.516 63.033 0.339 5.18 2 6.2 0.3 235 -1 2 4 31.619 63.238 0.34 5.14 2 8.4 0.5 236 -2 7 1 31.623 63.245 0.34 5.14 2 36.2 10.2 237 0 7 1 31.657 63.314 0.341 5.13 2 4.0 0.1 238 -4 3 2 31.742 63.483 0.341 5.1 2 15.5 1.8 239 2 5 1 31.781 63.562 0.342 5.08 2 27.7 5.9 240 -2 1 4 31.82 63.64 0.342 5.07 2 33.9 8.9 241 -4 1 0 31.898 63.795 0.343 5.04 2 4.6 0.2 242 0 5 3 31.96 63.919 0.344 5.02 2 13.6 1.4 243 -4 2 0 31.985 63.97 0.344 5.01 2 19.6 2.9 244 -2 2 4 32.012 64.025 0.344 5.0 2 67.0 34.0 245 -4 0 2 32.04 64.08 0.344 4.99 2 47.0 16.7 246 -2 0 4 32.323 64.645 0.347 4.9 2 23.0 3.9 247 -3 6 2 32.373 64.747 0.348 4.88 2 3.7 0.1 248 -2 7 0 32.392 64.783 0.348 4.88 2 42.5 13.3 249 -1 -1 4 32.412 64.823 0.348 4.87 2 45.8 15.5 250 0 -6 2 32.43 64.861 0.348 4.86 2 14.5 1.6 251 -4 4 1 32.464 64.928 0.348 4.85 2 20.3 3.0 252 -3 -4 1 32.493 64.986 0.349 4.84 2 11.3 0.9 253 -4 -1 1 32.494 64.987 0.349 4.84 2 11.2 0.9 254 4 0 0 32.504 65.008 0.349 4.84 2 67.3 33.3 255 3 3 1 32.56 65.121 0.349 4.82 2 2.1 0.0 256 -3 -2 3 32.593 65.186 0.35 4.81 2 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33.272 66.544 0.356 4.6 2 24.3 4.1 279 2 -1 3 33.275 66.55 0.356 4.6 2 9.6 0.6 280 3 -2 2 33.336 66.673 0.357 4.58 2 7.5 0.4 281 -2 6 3 33.352 66.704 0.357 4.58 2 22.9 3.6 282 1 -6 2 33.423 66.845 0.358 4.56 2 0.4 0.0 283 1 -4 3 33.461 66.922 0.358 4.55 2 11.0 0.8 284 -2 -1 4 33.504 67.007 0.358 4.54 2 9.2 0.6 285 0 2 4 33.51 67.02 0.358 4.53 2 83.1 47.5 286 -4 -1 2 33.511 67.022 0.358 4.53 2 3.0 0.1 287 0 -1 4 33.584 67.169 0.359 4.51 2 14.8 1.5 288 2 1 3 33.662 67.325 0.36 4.49 2 37.1 9.4 289 -1 -6 2 33.702 67.404 0.36 4.48 2 11.6 0.9 290 4 1 0 33.784 67.567 0.361 4.46 2 22.4 3.4 291 3 1 2 33.871 67.741 0.362 4.43 2 16.7 1.9 292 1 7 0 33.93 67.859 0.362 4.42 2 46.5 14.5 293 -2 -4 3 33.959 67.917 0.363 4.41 2 7.6 0.4 294 -1 -2 4 34.035 68.069 0.363 4.39 2 22.3 3.3 295 1 6 2 34.035 68.07 0.363 4.39 2 12.7 1.1 296 2 6 0 34.052 68.104 0.363 4.38 2 46.2 14.2 297 2 -2 3 34.098 68.196 0.364 4.37 2 31.4 6.5 298 -4 4 0 34.207 68.413 0.365 4.34 2 73.0 35.1 299 -4 2 3 34.209 68.419 0.365 4.34 2 16.6 1.8 300 -4 1 3 34.395 68.79 0.367 4.29 2 11.1 0.8 301 -3 -4 2 34.408 68.816 0.367 4.29 2 6.3 0.3 302 -2 4 4 34.436 68.871 0.367 4.28 2 21.8 3.1 303 0 7 2 34.478 68.957 0.367 4.27 2 16.8 1.8 304 -2 -6 1 34.48 68.959 0.367 4.27 2 72.5 34.1 305 -4 5 1 34.496 68.992 0.368 4.27 2 5.9 0.2 306 3 -3 2 34.509 69.018 0.368 4.27 2 23.2 3.5 307 -1 4 4 34.518 69.036 0.368 4.26 2 12.3 1.0 308 -4 -2 1 34.536 69.073 0.368 4.26 2 40.3 10.5 309 -3 2 4 34.65 69.299 0.369 4.23 2 14.8 1.4 310 -4 3 3 34.694 69.388 0.369 4.22 2 24.9 4.0 311 -3 1 4 34.695 69.389 0.369 4.22 2 41.2 10.9 312 0 -5 3 34.699 69.398 0.37 4.22 2 8.2 0.4 313 0 3 4 34.831 69.662 0.371 4.19 2 6.2 0.2 314 2 2 3 34.861 69.723 0.371 4.18 2 15.2 1.5 315 -4 5 2 34.952 69.904 0.372 4.16 2 10.2 0.7 316 0 -2 4 34.952 69.904 0.372 4.16 2 34.5 7.5 317 -3 7 1 34.987 69.975 0.372 4.15 2 25.9 4.2 318 1 7 1 35.053 70.106 0.373 4.13 2 12.6 1.0 319 -1 -7 1 35.067 70.135 0.373 4.13 2 32.5 6.6 320 -1 -5 3 35.091 70.183 0.373 4.12 2 2.7 0.0 321 -4 0 3 35.246 70.493 0.375 4.09 2 52.5 17.1 322 -3 -3 3 35.249 70.497 0.375 4.09 2 58.3 21.0 323 -3 3 4 35.27 70.541 0.375 4.08 2 30.4 5.7 324 -1 8 1 35.289 70.578 0.375 4.08 2 36.7 8.4 325 -2 -2 4 35.33 70.659 0.375 4.07 2 53.5 17.7 326 3 2 2 35.383 70.766 0.376 4.06 2 8.7 0.5 327 -3 0 4 35.404 70.808 0.376 4.05 2 6.5 0.3 328 0 6 3 35.414 70.827 0.376 4.05 2 32.8 6.6 329 2 -7 1 35.419 70.838 0.376 4.05 2 23.5 3.4 330 -1 8 0 35.496 70.992 0.377 4.03 2 21.9 2.9 331 3 4 1 35.524 71.048 0.377 4.02 2 8.5 0.4 332 2 -3 3 35.575 71.149 0.378 4.01 2 3.0 0.1 333 -4 -2 2 35.614 71.228 0.378 4.0 2 55.7 18.9 334 4 -1 1 35.643 71.287 0.378 4.0 2 23.5 3.3 335 -3 6 3 35.646 71.293 0.378 4.0 2 28.8 5.0 336 4 2 0 35.702 71.405 0.379 3.98 2 28.1 4.8 337 4 -2 1 35.814 71.629 0.38 3.96 2 73.4 32.4 338 -4 4 3 35.836 71.673 0.38 3.95 2 51.5 15.9 339 2 6 1 35.875 71.75 0.38 3.95 2 15.5 1.4 340 -3 7 2 35.876 71.751 0.38 3.95 2 42.4 10.7 341 2 5 2 36.005 72.01 0.382 3.92 2 19.5 2.3 342 1 5 3 36.111 72.222 0.383 3.9 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36.783 73.567 0.389 3.76 2 44.7 11.4 365 -1 5 4 36.906 73.812 0.39 3.74 2 41.7 9.8 366 1 -1 4 36.916 73.833 0.39 3.74 2 37.9 8.1 367 -2 7 3 36.946 73.893 0.39 3.73 2 14.5 1.2 368 -2 8 0 36.948 73.895 0.39 3.73 2 39.5 8.8 369 0 -3 4 36.949 73.898 0.39 3.73 2 11.3 0.7 370 0 -7 2 36.955 73.91 0.39 3.73 2 16.1 1.5 371 -1 7 3 37.093 74.187 0.391 3.7 2 51.7 15.0 372 -2 -6 2 37.124 74.249 0.392 3.7 2 29.7 5.0 373 -4 6 1 37.126 74.252 0.392 3.7 2 27.5 4.2 374 -4 -3 1 37.176 74.352 0.392 3.69 2 14.5 1.2 375 4 1 1 37.266 74.531 0.393 3.67 2 15.8 1.4 376 -1 8 2 37.297 74.594 0.393 3.67 2 12.3 0.8 377 -4 6 2 37.482 74.963 0.395 3.63 2 35.6 7.0 378 1 2 4 37.514 75.029 0.395 3.63 2 22.8 2.9 379 3 3 2 37.517 75.034 0.395 3.63 2 48.5 12.9 380 -2 8 2 37.529 75.057 0.395 3.62 2 18.0 1.8 381 -4 5 3 37.612 75.225 0.396 3.61 2 10.4 0.6 382 -2 -5 3 37.643 75.286 0.396 3.6 2 43.5 10.3 383 1 -7 2 37.671 75.342 0.397 3.6 2 30.0 4.9 384 2 -4 3 37.674 75.348 0.397 3.6 2 47.4 12.3 385 -2 -3 4 37.763 75.526 0.398 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472 -5 2 0 41.294 82.589 0.428 3.11 2 18.3 1.6 473 4 4 0 41.323 82.646 0.429 3.1 2 26.7 3.4 474 -3 -3 4 41.324 82.648 0.429 3.1 2 2.7 0.0 475 -2 3 5 41.326 82.653 0.429 3.1 2 2.5 0.0 476 4 -1 2 41.369 82.737 0.429 3.1 2 8.6 0.4 477 4 3 1 41.401 82.801 0.429 3.1 2 30.7 4.4 478 -1 8 3 41.406 82.811 0.429 3.1 2 2.0 0.0 479 -5 1 0 41.432 82.864 0.43 3.09 2 57.2 15.4 480 -4 -3 3 41.57 83.14 0.431 3.08 2 30.8 4.4 481 -4 -4 2 41.577 83.153 0.431 3.08 2 47.4 10.5 482 -5 2 3 41.591 83.182 0.431 3.08 2 16.6 1.3 483 4 -2 2 41.617 83.233 0.431 3.07 2 31.0 4.5 484 0 9 0 41.659 83.318 0.431 3.07 2 16.3 1.2 485 3 -6 2 41.743 83.486 0.432 3.06 2 25.0 2.9 486 4 0 2 41.75 83.501 0.432 3.06 2 29.9 4.1 487 -1 3 5 41.772 83.544 0.432 3.06 2 53.7 13.4 488 -5 3 0 41.787 83.573 0.433 3.06 2 51.8 12.5 489 -1 -1 5 41.807 83.615 0.433 3.06 2 32.7 5.0 490 -5 -1 1 41.821 83.643 0.433 3.05 2 41.2 7.9 491 -5 3 3 41.83 83.66 0.433 3.05 2 29.8 4.1 492 -2 -6 3 41.836 83.672 0.433 3.05 2 53.5 13.2 493 -2 -7 2 41.877 83.754 0.433 3.05 2 2.4 0.0 494 0 -8 2 41.91 83.819 0.434 3.05 2 43.7 8.8 495 -2 9 0 41.931 83.861 0.434 3.04 2 31.6 4.6 496 0 9 1 41.962 83.923 0.434 3.04 2 26.0 3.1 497 -5 1 3 41.981 83.963 0.434 3.04 2 49.8 11.5 498 -4 -1 4 42.002 84.004 0.434 3.04 2 18.0 1.5 499 3 -3 3 42.004 84.008 0.434 3.04 2 58.6 15.8 500 2 0 4 42.007 84.014 0.434 3.04 2 5.2 0.1 501 1 -4 4 42.067 84.135 0.435 3.03 2 0.8 0.0 502 2 5 3 42.164 84.329 0.436 3.02 2 36.8 6.2 503 -5 -1 2 42.173 84.346 0.436 3.02 2 59.3 16.1 504 -4 7 0 42.192 84.383 0.436 3.02 2 27.5 3.5 505 5 0 0 42.198 84.396 0.436 3.02 2 10.0 0.5 506 -3 -5 3 42.223 84.447 0.436 3.02 2 10.2 0.5 507 -5 5 2 42.225 84.449 0.436 3.02 2 15.9 1.2 508 2 -1 4 42.226 84.452 0.436 3.02 2 4.0 0.1 509 -2 -1 5 42.227 84.453 0.436 3.02 2 21.9 2.2 510 -1 9 2 42.316 84.632 0.437 3.01 2 60.4 16.7 511 -2 9 2 42.325 84.65 0.437 3.01 2 5.1 0.1 512 -4 5 4 42.338 84.676 0.437 3.01 2 25.6 3.0 513 -5 5 1 42.379 84.757 0.438 3.0 2 57.1 14.8 514 1 -8 2 42.388 84.776 0.438 3.0 2 5.0 0.1 515 3 2 3 42.408 84.816 0.438 3.0 2 2.3 0.0 516 2 1 4 42.416 84.831 0.438 3.0 2 1.4 0.0 517 -3 2 5 42.46 84.919 0.438 3.0 2 0.8 0.0 518 0 6 4 42.472 84.944 0.438 3.0 2 31.0 4.4 519 4 -3 2 42.492 84.985 0.438 2.99 2 24.5 2.7 520 -1 -5 4 42.51 85.021 0.439 2.99 2 46.9 10.0 521 -3 -6 2 42.519 85.038 0.439 2.99 2 17.7 1.4 522 -3 1 5 42.586 85.172 0.439 2.99 2 30.5 4.2 523 0 1 5 42.624 85.249 0.44 2.98 2 20.6 1.9 524 -2 4 5 42.673 85.346 0.44 2.98 2 41.9 7.9 525 -2 7 4 42.69 85.379 0.44 2.98 2 24.9 2.8 526 -5 4 3 42.696 85.393 0.44 2.98 2 22.5 2.3 527 0 -5 4 42.723 85.447 0.44 2.98 2 36.2 5.9 528 0 0 5 42.731 85.462 0.44 2.98 2 56.2 14.2 529 4 1 2 42.759 85.518 0.441 2.97 2 6.9 0.2 530 -3 8 3 42.768 85.537 0.441 2.97 2 10.6 0.5 531 4 -6 1 42.869 85.737 0.442 2.96 2 43.2 8.4 532 -5 4 0 42.905 85.811 0.442 2.96 2 37.5 6.3 533 0 -7 3 42.921 85.843 0.442 2.96 2 37.5 6.3 534 -3 3 5 42.961 85.921 0.442 2.96 2 52.5 12.4 535 -4 7 3 42.972 85.943 0.442 2.96 2 24.2 2.6 536 -5 0 3 42.998 85.996 0.443 2.95 2 0.8 0.0 537 3 6 1 43.066 86.132 0.443 2.95 2 19.5 1.7 538 2 -2 4 43.072 86.145 0.443 2.95 2 66.4 19.7 539 0 2 5 43.144 86.288 0.444 2.94 2 30.3 4.1 540 1 8 2 43.144 86.289 0.444 2.94 2 25.9 3.0 541 1 -9 1 43.156 86.312 0.444 2.94 2 62.7 17.6 542 -1 4 5 43.332 86.663 0.445 2.93 2 24.8 2.7 543 -3 0 5 43.339 86.678 0.445 2.93 2 18.6 1.5 544 -1 -2 5 43.385 86.769 0.446 2.93 2 20.1 1.8 545 -1 7 4 43.413 86.825 0.446 2.92 2 21.2 2.0 546 2 2 4 43.45 86.9 0.446 2.92 2 42.0 7.8 547 0 -1 5 43.464 86.929 0.447 2.92 2 7.2 0.2 548 0 -9 1 43.475 86.951 0.447 2.92 2 4.1 0.1 549 -1 -8 2 43.507 87.015 0.447 2.92 2 30.7 4.2 550 3 5 2 43.555 87.11 0.447 2.91 2 40.3 7.2 551 5 1 0 43.588 87.177 0.448 2.91 2 6.9 0.2 552 2 -6 3 43.647 87.294 0.448 2.91 2 42.2 7.9 553 1 7 3 43.68 87.36 0.448 2.91 2 48.1 10.2 554 -1 -7 3 43.72 87.441 0.449 2.9 2 41.4 7.5 555 -3 9 1 43.734 87.468 0.449 2.9 2 24.5 2.6 556 1 5 4 43.8 87.601 0.449 2.9 2 47.5 9.9 557 3 -4 3 43.804 87.608 0.449 2.9 2 8.3 0.3 558 0 8 3 43.839 87.678 0.45 2.89 2 50.7 11.3 559 -5 -2 1 43.923 87.846 0.45 2.89 2 12.4 0.7 560 2 8 0 43.926 87.852 0.45 2.89 2 35.1 5.4 561 3 -8 1 43.97 87.941 0.451 2.89 2 16.0 1.1 562 4 -4 2 43.991 87.983 0.451 2.88 2 33.7 5.0 563 -2 -2 5 44.017 88.034 0.451 2.88 2 37.1 6.0 564 -3 7 4 44.039 88.077 0.451 2.88 2 4.8 0.1 565 -3 4 5 44.086 88.173 0.452 2.88 2 8.6 0.3 566 -4 8 1 44.089 88.179 0.452 2.88 2 37.9 6.3 567 -4 -2 4 44.139 88.279 0.452 2.88 2 30.9 4.2 568 -4 -5 1 44.159 88.318 0.452 2.87 2 3.9 0.1 569 2 7 2 44.176 88.352 0.452 2.87 2 12.9 0.7 570 -5 5 3 44.186 88.372 0.452 2.87 2 9.7 0.4 571 1 -7 3 44.194 88.387 0.452 2.87 2 49.8 10.8 572 -4 8 2 44.265 88.529 0.453 2.87 2 31.8 4.4 573 0 3 5 44.289 88.578 0.453 2.87 2 24.2 2.5 574 -5 -2 2 44.357 88.713 0.454 2.86 2 17.3 1.3 575 3 3 3 44.367 88.734 0.454 2.86 2 26.8 3.1 576 -2 -5 4 44.37 88.739 0.454 2.86 2 25.1 2.7 577 4 4 1 44.373 88.746 0.454 2.86 2 48.5 10.2 578 0 9 2 44.379 88.757 0.454 2.86 2 9.0 0.4 579 4 2 2 44.39 88.781 0.454 2.86 2 35.7 5.5 580 -3 9 2 44.406 88.812 0.454 2.86 2 35.8 5.6 581 -5 6 2 44.425 88.85 0.454 2.86 2 2.2 0.0 582 -2 -8 1 44.492 88.984 0.455 2.86 2 41.8 7.6 583 -3 -4 4 44.501 89.003 0.455 2.85 2 4.5 0.1 584 2 -3 4 44.542 89.084 0.455 2.85 2 13.2 0.8 585 -4 6 4 44.585 89.17 0.456 2.85 2 45.0 8.7 586 1 9 0 44.633 89.267 0.456 2.85 2 11.3 0.5 587 -5 -1 3 44.638 89.275 0.456 2.85 2 20.8 1.9 588 -2 5 5 44.64 89.279 0.456 2.85 2 25.5 2.8 589 -5 5 0 44.646 89.292 0.456 2.85 2 8.7 0.3 590 -5 6 1 44.662 89.324 0.456 2.85 2 15.8 1.1 591 -3 -1 5 44.716 89.432 0.457 2.84 2 26.3 3.0 592 0 -2 5 44.822 89.644 0.458 2.84 2 6.9 0.2 593 -4 -4 3 44.876 89.753 0.458 2.83 2 32.4 4.5 594 2 -9 1 44.906 89.812 0.458 2.83 2 12.5 0.7 595 2 -8 2 44.935 89.87 0.458 2.83 2 54.6 12.8 X-ray diffraction powder data (I)...X-Ray wave length = 1.54056 (angs.): No H K L Theta 2*Theta d I int I int.n. I p.h.n. H(Si) ( degree ) (angstrem) *100 *100 1 0 1 0 4.235 8.471 10.42963 46.0 6.1 6.2 5.6 2 1 0 0 7.72 15.441 5.73386 219.0 29.3 29.4 5.6 3 0 0 1 7.8 15.6 5.67585 105.2 14.1 14.1 5.6 4 -1 1 0 8.079 16.159 5.48067 394.2 52.7 52.8 5.6 5 0 2 0 8.494 16.988 5.21482 69.1 9.2 9.3 5.6 6 0 1 1 8.609 17.219 5.14557 132.4 17.7 17.7 5.6 7 0 -1 1 9.159 18.317 4.83935 40.6 5.4 5.4 5.6 8 -1 0 1 9.341 18.681 4.74597 60.0 8.0 8.0 5.6 9 -1 1 1 9.384 18.768 4.72423 747.7 100.0 100.0 5.6 10 1 1 0 9.502 19.003 4.66621 149.5 20.0 20.0 5.6 11 -1 2 0 10.365 20.729 4.28146 84.3 11.3 11.3 5.6 12 -1 -1 1 11.091 22.183 4.00406 104.3 13.9 13.9 5.6 13 0 2 1 11.137 22.274 3.98782 479.0 64.1 63.9 5.6 14 -1 2 1 11.202 22.403 3.9652 15.9 2.1 2.1 5.6 15 0 -2 1 11.991 23.982 3.70765 560.5 75.0 74.7 5.6 16 1 0 1 12.465 24.93 3.56874 27.5 3.7 3.7 5.6 17 1 2 0 12.57 25.14 3.53942 144.5 19.3 19.2 5.6 18 0 3 0 12.801 25.602 3.47654 29.7 4.0 4.0 5.6 19 1 -1 1 12.889 25.778 3.45323 89.7 12.0 11.9 5.6 20 1 1 1 13.479 26.957 3.30475 371.8 49.7 49.4 5.6 21 -1 3 0 13.675 27.35 3.25817 144.8 19.4 19.3 5.6 22 -1 -2 1 14.007 28.014 3.18245 93.0 12.4 12.4 5.6 23 0 3 1 14.551 29.101 3.06595 91.7 12.3 12.2 5.6 24 1 -2 1 14.635 29.269 3.04875 156.7 21.0 20.8 5.6 25 -2 1 1 14.985 29.97 2.97909 9.9 1.3 1.3 5.6 26 -2 1 0 15.358 30.716 2.90838 63.3 8.5 8.4 5.6 27 -1 0 2 15.506 31.012 2.88124 12.3 1.6 1.6 5.6 28 0 -3 1 15.553 31.107 2.87271 12.0 1.6 1.6 5.6 29 2 0 0 15.586 31.171 2.86693 127.9 17.1 17.0 5.6 30 0 0 2 15.749 31.498 2.83792 16.0 2.1 2.1 5.6 31 -2 2 1 15.813 31.627 2.82669 310.1 41.5 41.1 5.6 32 0 1 2 16.024 32.048 2.79044 103.0 13.8 13.6 5.6 33 1 3 0 16.258 32.517 2.75128 369.3 49.4 48.9 5.6 34 -1 2 2 16.424 32.848 2.72434 78.8 10.5 10.4 5.6 35 0 -1 2 16.645 33.291 2.68909 32.6 4.4 4.3 5.6 36 -1 -1 2 16.806 33.613 2.66405 205.6 27.5 27.2 5.7 37 2 1 0 16.965 33.93 2.63987 12.5 1.7 1.7 5.7 38 1 -3 1 17.339 34.678 2.58458 27.7 3.7 3.7 5.7 39 -1 4 0 17.49 34.98 2.56297 53.3 7.1 7.0 5.7 40 -1 -3 1 17.564 35.128 2.55251 15.1 2.0 2.0 5.7 41 -1 4 1 17.733 35.466 2.529 35.7 4.8 4.7 5.7 42 -2 3 0 18.319 36.638 2.45075 35.7 4.8 4.7 5.7 43 0 4 1 18.42 36.839 2.4378 67.5 9.0 8.9 5.7 44 -1 3 2 18.486 36.973 2.42929 15.2 2.0 2.0 5.7 45 0 -2 2 18.563 37.125 2.41967 201.2 26.9 26.5 5.7 46 1 3 1 18.676 37.351 2.40553 73.5 9.8 9.7 5.7 47 -2 2 2 19.032 38.064 2.36211 84.3 11.3 11.1 5.7 48 2 2 0 19.278 38.556 2.33311 31.6 4.2 4.2 5.7 49 0 -4 1 19.51 39.021 2.30637 26.6 3.6 3.5 5.7 50 1 0 2 19.549 39.098 2.30203 13.1 1.7 1.7 5.7 51 0 3 2 19.732 39.463 2.28153 12.3 1.6 1.6 5.7 52 1 -1 2 19.966 39.932 2.25584 23.8 3.2 3.1 5.7 53 2 -2 1 20.321 40.642 2.21807 20.7 2.8 2.7 5.7 54 -2 4 1 20.425 40.851 2.20719 34.0 4.6 4.5 5.7 55 -2 3 2 20.547 41.095 2.19463 62.7 8.4 8.2 5.7 56 -2 4 0 21.089 42.178 2.14073 105.4 14.1 13.8 5.7 57 -1 -4 1 21.512 43.023 2.10064 10.4 1.4 1.4 5.7 58 -1 5 1 21.695 43.389 2.08376 70.7 9.4 9.3 5.7 59 -1 -3 2 22.021 44.042 2.05436 24.1 3.2 3.2 5.7 60 -3 1 1 22.237 44.474 2.0354 16.1 2.2 2.1 5.7 61 2 3 0 22.282 44.565 2.03149 30.1 4.0 3.9 5.7 62 2 2 1 22.361 44.722 2.02469 164.7 22.0 21.5 5.7 63 -2 -2 2 22.628 45.256 2.00203 12.3 1.6 1.6 5.7 64 0 4 2 22.726 45.451 1.99391 37.9 5.1 5.0 5.7 65 -2 4 2 22.862 45.725 1.9826 82.8 11.1 10.8 5.7 66 -3 1 0 23.314 46.628 1.9463 34.7 4.6 4.5 5.7 67 1 -3 2 23.467 46.935 1.93427 48.2 6.4 6.3 5.7 68 -1 2 3 23.499 46.997 1.93186 9.9 1.3 1.3 5.7 69 -3 3 1 23.69 47.38 1.91711 68.0 9.1 8.9 5.7 70 0 -5 1 23.742 47.483 1.91321 24.1 3.2 3.1 5.7 71 1 3 2 23.852 47.705 1.90484 84.0 11.2 10.9 5.7 72 0 0 3 24.025 48.05 1.89195 93.4 12.5 12.2 5.7 73 -3 1 2 24.093 48.186 1.88695 42.2 5.6 5.5 5.7 74 -1 -1 3 24.123 48.246 1.88474 34.1 4.6 4.4 5.7 75 -3 -1 1 24.246 48.492 1.87575 17.6 2.3 2.3 5.7 76 1 -5 1 24.466 48.932 1.85989 13.9 1.9 1.8 5.7 77 0 -4 2 24.551 49.103 1.85383 58.0 7.8 7.5 5.7 78 1 5 0 24.59 49.179 1.85111 11.2 1.5 1.5 5.7 79 2 -4 1 24.653 49.305 1.84668 24.0 3.2 3.1 5.7 80 -1 5 2 24.689 49.378 1.84415 15.5 2.1 2.0 5.7 81 0 -1 3 24.775 49.549 1.83816 20.0 2.7 2.6 5.7 82 -2 0 3 24.895 49.791 1.8298 123.8 16.6 16.1 5.7 83 -3 3 0 24.938 49.876 1.82689 67.3 9.0 8.8 5.7 84 3 1 0 25.039 50.077 1.82001 30.9 4.1 4.0 5.7 85 -3 3 2 25.248 50.496 1.8059 72.7 9.7 9.4 5.8 86 2 0 2 25.574 51.149 1.78437 61.6 8.2 8.0 5.8 87 2 -1 2 25.639 51.279 1.78016 36.9 4.9 4.8 5.8 88 -1 -5 1 25.752 51.503 1.77292 90.1 12.0 11.7 5.8 89 2 4 0 25.802 51.603 1.76971 34.0 4.5 4.4 5.8 90 -1 -2 3 25.954 51.907 1.76007 18.2 2.4 2.4 5.8 91 -2 -4 1 26.095 52.189 1.75121 25.3 3.4 3.3 5.8 92 1 5 1 26.16 52.321 1.74712 47.5 6.4 6.2 5.8 93 -3 -1 2 26.204 52.408 1.74442 13.3 1.8 1.7 5.8 94 0 -2 3 26.303 52.606 1.73831 21.5 2.9 2.8 5.8 95 2 -2 2 26.495 52.99 1.72661 13.6 1.8 1.8 5.8 96 3 -1 1 27.055 54.109 1.69352 23.4 3.1 3.0 5.8 97 3 0 1 27.36 54.719 1.67607 7.7 1.0 1.0 5.8 98 -2 6 1 27.483 54.965 1.66916 37.0 5.0 4.8 5.8 99 -2 4 3 27.76 55.52 1.65378 37.3 5.0 4.8 5.8 100 1 1 3 27.902 55.804 1.64603 30.7 4.1 4.0 5.8 101 2 4 1 28.128 56.256 1.63387 49.9 6.7 6.4 5.8 102 -3 5 1 28.199 56.398 1.63009 119.9 16.0 15.5 5.8 103 3 1 1 28.416 56.831 1.6187 42.0 5.6 5.4 5.8 104 -1 -3 3 28.449 56.899 1.61693 99.0 13.2 12.8 5.8 105 3 -3 1 28.723 57.446 1.60284 9.1 1.2 1.2 5.8 106 -2 -4 2 28.952 57.904 1.59123 71.3 9.5 9.2 5.8 107 0 4 3 29.03 58.059 1.58735 8.4 1.1 1.1 5.8 108 1 6 0 29.126 58.251 1.58257 11.1 1.5 1.4 5.8 109 -3 -3 1 29.179 58.357 1.57995 11.1 1.5 1.4 5.8 110 -2 6 2 29.28 58.559 1.57498 68.9 9.2 8.9 5.8 111 -1 -5 2 29.415 58.83 1.56838 26.4 3.5 3.4 5.8 112 -3 5 0 29.505 59.01 1.56402 9.9 1.3 1.3 5.8 113 1 -5 2 29.616 59.231 1.55871 31.0 4.2 4.0 5.8 114 3 3 0 29.685 59.37 1.5554 15.8 2.1 2.0 5.8 115 -1 5 3 29.941 59.883 1.54329 18.7 2.5 2.4 5.8 116 0 6 2 30.164 60.328 1.53297 40.5 5.4 5.2 5.8 117 -4 2 1 30.368 60.736 1.52365 50.7 6.8 6.5 5.8 118 -1 7 0 30.597 61.194 1.51332 39.8 5.3 5.1 5.8 119 1 3 3 30.745 61.49 1.50675 11.2 1.5 1.4 5.8 120 -3 4 3 30.775 61.551 1.50541 17.6 2.4 2.3 5.8 121 1 -3 3 30.995 61.99 1.4958 19.9 2.7 2.6 5.8 122 -4 0 1 31.092 62.183 1.49161 32.8 4.4 4.2 5.8 123 0 7 0 31.13 62.26 1.48995 30.4 4.1 3.9 5.8 124 -1 1 4 31.183 62.367 1.48766 32.7 4.4 4.2 5.8 125 2 -6 1 31.371 62.743 1.47964 40.5 5.4 5.2 5.9 126 -2 7 1 31.623 63.245 1.4691 10.2 1.4 1.3 5.9 127 -2 1 4 31.82 63.64 1.46093 8.9 1.2 1.1 5.9 128 -2 2 4 32.012 64.025 1.45307 55.1 7.4 7.0 5.9 129 -1 -1 4 32.412 64.823 1.43709 30.4 4.1 3.9 5.9 130 4 0 0 32.504 65.008 1.43347 33.3 4.5 4.2 5.9 131 -1 7 2 32.71 65.421 1.42541 25.4 3.4 3.2 5.9 132 -1 3 4 32.742 65.484 1.42418 7.6 1.0 1.0 5.9 133 3 -1 2 32.832 65.665 1.4207 20.9 2.8 2.7 5.9 134 -3 5 3 32.914 65.829 1.41756 10.1 1.4 1.3 5.9 135 2 0 3 33.129 66.257 1.40943 41.3 5.5 5.2 5.9 136 2 -5 2 33.202 66.404 1.40667 9.3 1.2 1.2 5.9 137 0 2 4 33.51 67.02 1.39522 47.6 6.4 6.0 5.9 138 2 1 3 33.662 67.325 1.38965 9.4 1.3 1.2 5.9 139 1 7 0 33.93 67.859 1.37999 14.9 2.0 1.9 5.9 140 2 6 0 34.052 68.104 1.37564 18.6 2.5 2.3 5.9 141 -4 4 0 34.207 68.413 1.37017 36.9 4.9 4.7 5.9 142 -2 -6 1 34.48 68.959 1.36065 36.2 4.8 4.6 5.9 143 -4 -2 1 34.536 69.073 1.35868 15.0 2.0 1.9 5.9 144 -3 1 4 34.695 69.389 1.35326 15.3 2.0 1.9 5.9 145 0 -2 4 34.952 69.904 1.34455 7.5 1.0 1.0 5.9 146 -1 -7 1 35.067 70.135 1.34069 7.6 1.0 1.0 5.9 147 -3 -3 3 35.249 70.497 1.33469 43.9 5.9 5.5 5.9 148 -1 8 1 35.289 70.578 1.33335 8.4 1.1 1.1 5.9 149 -2 -2 4 35.33 70.659 1.33202 17.7 2.4 2.2 5.9 150 0 6 3 35.414 70.827 1.32927 10.0 1.3 1.3 5.9 151 -4 -2 2 35.614 71.228 1.32277 22.2 3.0 2.8 5.9 152 4 -2 1 35.814 71.629 1.31635 48.3 6.5 6.1 5.9 153 -3 7 2 35.876 71.751 1.31441 12.2 1.6 1.5 5.9 154 -2 8 1 36.137 72.274 1.30618 27.4 3.7 3.4 5.9 155 0 8 0 36.217 72.433 1.3037 8.1 1.1 1.0 5.9 156 -3 -5 1 36.294 72.588 1.30131 10.3 1.4 1.3 6.0 157 -3 7 0 36.33 72.659 1.3002 16.6 2.2 2.1 6.0 158 1 -5 3 36.495 72.991 1.29511 7.5 1.0 0.9 6.0 159 -3 4 4 36.542 73.084 1.29369 13.5 1.8 1.7 6.0 160 0 8 1 36.619 73.239 1.29134 16.9 2.3 2.1 6.0 161 1 1 4 36.665 73.33 1.28995 20.5 2.7 2.6 6.0 162 -3 -1 4 36.762 73.523 1.28705 24.7 3.3 3.1 6.0 163 -1 5 4 36.906 73.812 1.28273 18.0 2.4 2.3 6.0 164 0 -7 2 36.955 73.91 1.28127 12.2 1.6 1.5 6.0 165 -1 7 3 37.093 74.187 1.27716 15.0 2.0 1.9 6.0 166 -2 -6 2 37.124 74.249 1.27625 9.2 1.2 1.2 6.0 167 3 3 2 37.517 75.034 1.26483 17.6 2.4 2.2 6.0 168 -2 -5 3 37.643 75.286 1.26122 15.3 2.0 1.9 6.0 169 2 -4 3 37.674 75.348 1.26035 12.3 1.6 1.5 6.0 170 -3 -5 2 38.209 76.418 1.24534 13.7 1.8 1.7 6.0 171 -1 -7 2 38.379 76.758 1.24067 14.7 2.0 1.8 6.0 172 -3 5 4 38.44 76.881 1.23899 22.4 3.0 2.8 6.0 173 3 -5 2 38.739 77.478 1.23092 18.2 2.4 2.3 6.0 174 -4 -2 3 38.858 77.716 1.22775 16.6 2.2 2.1 6.0 175 -3 7 3 38.933 77.867 1.22575 8.3 1.1 1.0 6.0 176 3 5 1 39.026 78.052 1.2233 23.1 3.1 2.9 6.0 177 2 4 3 39.137 78.275 1.22038 10.1 1.4 1.3 6.0 178 -4 2 4 39.325 78.65 1.2155 28.1 3.8 3.5 6.0 179 -2 6 4 39.358 78.716 1.21464 8.3 1.1 1.0 6.0 180 -5 3 2 39.681 79.362 1.20636 9.1 1.2 1.1 6.0 181 2 6 2 39.823 79.647 1.20277 25.2 3.4 3.1 6.0 182 3 -1 3 40.274 80.547 1.19157 12.6 1.7 1.6 6.1 183 -1 9 1 40.469 80.939 1.18679 19.5 2.6 2.4 6.1 184 -2 8 3 41.046 82.093 1.17301 20.5 2.7 2.5 6.1 185 -5 1 0 41.432 82.864 1.16404 15.4 2.1 1.9 6.1 186 -4 -4 2 41.577 83.153 1.16072 16.2 2.2 2.0 6.1 187 -1 3 5 41.772 83.544 1.15629 37.8 5.1 4.6 6.1 188 -2 -6 3 41.836 83.672 1.15484 25.2 3.4 3.1 6.1 189 0 -8 2 41.91 83.819 1.15319 13.4 1.8 1.6 6.1 190 3 -3 3 42.004 84.008 1.15108 32.0 4.3 3.9 6.1 191 -5 -1 2 42.173 84.346 1.14732 25.8 3.5 3.2 6.1 192 -1 9 2 42.316 84.632 1.14418 19.8 2.6 2.4 6.1 193 -5 5 1 42.379 84.757 1.14281 15.0 2.0 1.8 6.1 194 -1 -5 4 42.51 85.021 1.13993 11.4 1.5 1.4 6.1 195 -2 4 5 42.673 85.346 1.13642 13.0 1.7 1.6 6.1 196 0 0 5 42.731 85.462 1.13517 20.2 2.7 2.5 6.1 197 4 -6 1 42.869 85.737 1.13223 8.4 1.1 1.0 6.1 198 -5 4 0 42.905 85.811 1.13145 12.6 1.7 1.5 6.1 199 -3 3 5 42.961 85.921 1.13028 15.0 2.0 1.8 6.1 200 2 -2 4 43.072 86.145 1.12792 21.4 2.9 2.6 6.1 201 1 -9 1 43.156 86.312 1.12617 24.6 3.3 3.0 6.1 202 2 2 4 43.45 86.9 1.12004 8.1 1.1 1.0 6.1 203 2 -6 3 43.647 87.294 1.116 7.9 1.1 1.0 6.2 204 1 7 3 43.68 87.36 1.11533 10.2 1.4 1.2 6.2 205 -1 -7 3 43.72 87.441 1.11451 10.2 1.4 1.2 6.2 206 1 5 4 43.8 87.601 1.11288 10.2 1.4 1.2 6.2 207 0 8 3 43.839 87.678 1.1121 11.3 1.5 1.4 6.2 208 -2 -2 5 44.017 88.034 1.10852 12.2 1.6 1.5 6.2 209 1 -7 3 44.194 88.387 1.105 10.8 1.4 1.3 6.2 210 4 4 1 44.373 88.746 1.10146 17.7 2.4 2.1 6.2 211 -3 9 2 44.406 88.812 1.10082 11.1 1.5 1.3 6.2 212 -2 -8 1 44.492 88.984 1.09913 7.6 1.0 0.9 6.2 213 -4 6 4 44.585 89.17 1.09732 8.7 1.2 1.1 6.2 214 2 -8 2 44.935 89.87 1.09057 12.8 1.7 1.5 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) |