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 *** *********************** PARAFRANSOLETITE 1 Ca(3)Be(2)[PO(4)](2)[PO(3)OH](2).4H(2)O Triclinic P 1(-) Z = 1 R =0.052 NR =1176 11 .11 .1994 Ref.Str.: Kampf A.R. (1992) * Amer. Mineral., 77, 848-856 Reserv: T.V.Ush. Initial data from BDM-file Lattice parameters (cub. angs.,degr.): a = 7.3275 alpha = 94.9 b = 7.6959 beta = 96.82 c = 7.0606 gamma = 101.86 Unit cell volume (cub. angs.) = 384.41 Molar volume ( cub.cm/mol.) = 231.55 Co-ordinates, thermal parameters, occupation for atomic positions: NoP x/a y/b z/c B(j) atom / occupation 1 0.7103 0.3915 0.9772 1.0 Ca = 1.00 2 0.0 0.0 0.0 1.22 Ca = 1.00 3 0.043 0.302 0.6843 0.75 P = 1.00 4 0.3563 0.302 0.2675 0.76 P = 1.00 5 0.7334 0.4197 0.4862 0.7 Be = 1.00 6 0.9881 0.2891 0.8841 1.2 O = 1.00 7 0.1335 0.1384 0.6353 1.3 OH = 1.00 8 0.195 0.4733 0.6925 1.0 O = 1.00 9 0.8779 0.2872 0.5286 0.8 O = 1.00 10 0.4137 0.3307 0.0716 1.2 O = 1.00 11 0.2592 0.4576 0.317 0.9 O = 1.00 12 0.2159 0.1234 0.2659 1.2 O = 1.00 13 0.5252 0.3028 0.4202 1.1 O = 1.00 14 0.5521 0.127 0.752 1.4 H(2)O = 1.00 15 0.7603 0.1256 0.1473 1.2 H(2)O = 1.00 16 0.133 0.129 0.518 3.2 H = 1.00 17 0.496 0.143 0.632 3.2 H = 1.00 18 0.656 0.098 0.713 3.2 H = 1.00 19 0.817 0.183 0.253 3.2 H = 1.00 20 0.635 0.067 0.154 3.2 H = 1.00 Co-ordinates for all atomic positions : No NoP x/a y/b z/c 1 1 0.7103 0.3915 0.9772 2 2 0.0 0.0 0.0 3 3 0.043 0.302 0.6843 4 4 0.3563 0.302 0.2675 5 5 0.7334 0.4197 0.4862 6 6 0.9881 0.2891 0.8841 7 7 0.1335 0.1384 0.6353 8 8 0.195 0.4733 0.6925 9 9 0.8779 0.2872 0.5286 10 10 0.4137 0.3307 0.0716 11 11 0.2592 0.4576 0.317 12 12 0.2159 0.1234 0.2659 13 13 0.5252 0.3028 0.4202 14 14 0.5521 0.127 0.752 15 15 0.7603 0.1256 0.1473 16 16 0.133 0.129 0.518 17 17 0.496 0.143 0.632 18 18 0.656 0.098 0.713 19 19 0.817 0.183 0.253 20 20 0.635 0.067 0.154 21 1 0.2897 0.6085 0.0228 22 3 0.957 0.698 0.3157 23 4 0.6437 0.698 0.7325 24 5 0.2666 0.5803 0.5138 25 6 0.0119 0.7109 0.1159 26 7 0.8665 0.8616 0.3647 27 8 0.805 0.5267 0.3075 28 9 0.1221 0.7128 0.4714 29 10 0.5863 0.6693 0.9284 30 11 0.7408 0.5424 0.683 31 12 0.7841 0.8766 0.7341 32 13 0.4748 0.6972 0.5798 33 14 0.4479 0.873 0.248 34 15 0.2397 0.8744 0.8527 35 16 0.867 0.871 0.482 36 17 0.504 0.857 0.368 37 18 0.344 0.902 0.287 38 19 0.183 0.817 0.747 39 20 0.365 0.933 0.846 X-ray density (g/cm cub.) = 2.6 MU (1/cm) = 140.286 Mass attenuation coefficient (cm**2/g) = 53.938 Selected interatomic distances (cation-anion,anion-anion): NoP Atom Rad.sph. C.N. Distance NoP N. (angs.) (angs.) 1 Ca 3.048 8 2.4669 6 2.3164 10 2.4605 14 2.5275 15 2.954 6 2.4304 8 2.523 10 2.4758 11 2 Ca 3.048 6 2.4498 6 2.3025 12 2.4619 15 2.4498 6 2.3025 12 2.4619 15 3 P 2.4 4 1.5179 6 1.571 7 1.5329 8 1.5136 9 4 P 2.4 4 1.5136 10 1.5493 11 1.5365 12 1.5404 13 5 Be 2.208 4 1.6344 9 1.5966 13 1.6439 8 1.6007 11 6 O 3.432 8 2.484 7 2.4636 8 2.5417 9 3.1807 10 3.1761 14 2.8453 15 3.2271 11 3.2453 12 7 OH 3.48 10 2.484 6 2.512 8 2.466 9 2.7444 12 3.4664 13 3.1012 14 2.9527 7 3.3602 9 3.1055 12 2.8265 15 8 O 3.432 9 2.4636 6 2.512 7 2.5493 9 3.3382 10 2.7441 11 2.6112 9 3.1509 10 2.641 13 3.1328 15 9 O 3.432 10 2.5417 6 2.466 7 2.5493 8 3.4026 11 2.6368 13 3.1183 14 2.8237 15 3.3602 7 2.6112 8 2.6001 11 10 O 3.432 9 3.1807 6 3.3382 8 2.4226 11 2.5344 12 2.541 13 3.0283 14 3.2707 15 3.1509 8 2.9683 10 11 O 3.432 9 2.7441 8 3.4026 9 2.4226 10 2.5149 12 2.5525 13 3.2271 6 2.6001 9 2.6191 13 3.3133 14 12 O 3.432 9 2.7444 7 2.5344 10 2.5149 11 2.4697 13 3.3479 15 3.2453 6 3.1055 7 2.8242 14 3.3936 15 13 O 3.432 10 2.6368 9 2.541 10 2.5525 11 2.4697 12 2.8106 14 3.1377 15 2.641 8 2.6191 11 3.2549 13 3.3344 14 14 H(2)O 3.6 10 3.1761 6 3.1012 7 3.1183 9 3.0283 10 2.8106 13 3.0196 15 3.3133 11 2.8242 12 3.3344 13 2.884 15 15 H(2)O 3.6 10 2.8453 6 2.8237 9 3.2707 10 3.3479 12 3.1377 13 3.0196 14 2.8265 7 3.1328 8 3.3936 12 2.884 14 16 H 1.8 1 0.8247 7 17 H 1.8 1 0.9263 14 18 H 1.8 1 0.9024 14 19 H 1.8 1 0.8481 15 20 H 1.8 1 0.9446 15 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 5.908 11.816 0.067 185.79 2 35.9 324.6 2 1 0 0 6.228 12.456 0.07 166.98 2 18.8 79.8 3 0 0 1 6.349 12.698 0.072 160.59 2 14.6 46.2 4 -1 1 0 7.6 15.201 0.086 111.38 2 25.6 99.0 5 0 -1 1 8.181 16.362 0.092 95.82 2 7.6 7.6 6 -1 0 1 8.261 16.521 0.093 93.95 2 16.6 34.9 7 0 1 1 9.17 18.341 0.103 75.82 2 7.0 5.0 8 1 1 0 9.499 18.998 0.107 70.51 2 15.5 22.9 9 1 0 1 9.519 19.039 0.107 70.2 2 26.2 65.2 10 -1 1 1 9.795 19.59 0.11 66.18 2 42.1 158.4 11 1 -1 1 10.058 20.116 0.113 62.65 2 38.3 124.4 12 -1 -1 1 10.552 21.104 0.119 56.73 2 14.6 16.4 13 0 2 0 11.88 23.761 0.134 44.31 2 32.5 63.5 14 -1 2 0 12.165 24.331 0.137 42.16 2 17.3 17.1 15 1 1 1 12.301 24.603 0.138 41.19 2 99.9 556.7 16 2 0 0 12.531 25.062 0.141 39.62 2 9.6 5.0 17 -2 1 0 12.646 25.292 0.142 38.86 2 37.4 73.5 18 0 0 2 12.777 25.555 0.144 38.03 2 10.4 5.6 19 0 -2 1 12.85 25.7 0.144 37.57 2 25.9 34.2 20 -2 0 1 13.258 26.516 0.149 35.18 2 67.0 214.0 21 -1 0 2 13.434 26.868 0.151 34.21 2 16.5 12.6 22 0 -1 2 13.483 26.966 0.151 33.94 2 0.0 0.0 23 1 -2 1 13.544 27.087 0.152 33.62 2 77.3 272.1 24 -2 1 1 13.691 27.382 0.154 32.86 2 75.7 255.1 25 -1 2 1 13.989 27.977 0.157 31.39 2 32.2 44.1 26 0 2 1 14.15 28.3 0.159 30.64 2 29.6 36.2 27 1 2 0 14.641 29.283 0.164 28.48 2 6.7 1.7 28 2 -1 1 14.688 29.376 0.165 28.29 2 37.8 54.6 29 -1 -1 2 14.688 29.376 0.165 28.29 2 90.0 310.3 30 0 1 2 14.731 29.462 0.165 28.11 2 25.5 24.7 31 -1 1 2 14.753 29.506 0.165 28.03 2 49.6 93.4 32 2 0 1 14.888 29.775 0.167 27.48 2 47.8 84.8 33 1 0 2 15.046 30.092 0.169 26.87 2 2.7 0.3 34 2 1 0 15.048 30.097 0.169 26.86 2 36.4 48.3 35 -1 -2 1 15.072 30.144 0.169 26.77 2 41.0 61.0 36 1 -1 2 15.112 30.224 0.169 26.62 2 15.1 8.3 37 -2 2 0 15.339 30.677 0.172 25.78 2 18.5 12.0 38 -2 -1 1 15.382 30.763 0.172 25.63 2 6.9 1.6 39 -2 2 1 16.498 32.995 0.184 22.03 2 41.4 51.1 40 0 -2 2 16.535 33.07 0.185 21.92 2 44.7 59.2 41 -2 0 2 16.699 33.399 0.187 21.46 2 20.0 11.6 42 2 -2 1 16.823 33.646 0.188 21.12 2 27.8 22.1 43 1 2 1 16.912 33.824 0.189 20.88 2 22.7 14.5 44 1 1 2 17.257 34.514 0.193 19.98 2 73.3 145.2 45 -2 1 2 17.314 34.628 0.193 19.83 2 30.8 25.5 46 2 1 1 17.349 34.699 0.194 19.75 2 50.0 66.7 47 1 -2 2 17.431 34.862 0.194 19.54 2 57.0 85.9 48 -1 3 0 17.708 35.416 0.197 18.88 2 12.3 3.9 49 0 3 0 17.987 35.974 0.2 18.25 2 43.1 45.9 50 -1 -2 2 18.03 36.06 0.201 18.15 2 40.0 39.3 51 -1 2 2 18.138 36.276 0.202 17.92 2 56.8 78.2 52 -2 -1 2 18.22 36.44 0.203 17.74 2 29.7 21.2 53 0 -3 1 18.422 36.844 0.205 17.31 2 31.6 23.4 54 1 -3 1 18.471 36.942 0.206 17.21 2 13.5 4.2 55 0 2 2 18.587 37.173 0.207 16.98 2 8.9 1.8 56 -3 1 0 18.616 37.231 0.207 16.92 2 9.1 1.9 57 2 -1 2 18.918 37.835 0.21 16.33 2 16.0 5.7 58 3 0 0 18.993 37.985 0.211 16.19 2 29.5 19.1 59 -3 1 1 19.06 38.12 0.212 16.06 2 32.4 22.9 60 -3 0 1 19.193 38.387 0.213 15.82 2 52.1 58.2 61 2 2 0 19.272 38.545 0.214 15.67 2 62.2 82.0 62 -1 3 1 19.288 38.577 0.214 15.64 2 40.4 34.5 63 -2 -2 1 19.306 38.613 0.215 15.61 2 34.9 25.8 64 2 0 2 19.315 38.63 0.215 15.6 2 3.2 0.2 65 0 0 3 19.375 38.75 0.215 15.49 2 66.7 93.3 66 -1 0 3 19.53 39.061 0.217 15.22 2 1.3 0.0 67 0 -1 3 19.636 39.273 0.218 15.04 2 41.6 35.3 68 -2 3 0 19.662 39.324 0.218 14.99 2 96.5 188.8 69 0 3 1 19.851 39.702 0.22 14.68 2 23.7 11.2 70 -2 2 2 19.892 39.784 0.221 14.61 2 16.2 5.2 71 -3 2 0 20.186 40.372 0.224 14.14 2 37.3 26.6 72 -1 -1 3 20.224 40.448 0.224 14.08 2 45.4 39.4 73 3 -1 1 20.41 40.82 0.226 13.8 2 13.4 3.3 74 1 3 0 20.421 40.842 0.226 13.78 2 25.7 12.3 75 2 -2 2 20.444 40.888 0.227 13.75 2 24.8 11.4 76 -1 -3 1 20.522 41.043 0.228 13.63 2 89.8 148.7 77 2 -3 1 20.655 41.31 0.229 13.44 2 4.3 0.3 78 -1 1 3 20.723 41.446 0.23 13.34 2 35.4 22.6 79 -3 2 1 20.825 41.65 0.231 13.19 2 26.9 12.9 80 -2 3 1 20.83 41.661 0.231 13.18 2 6.6 0.8 81 3 0 1 20.981 41.962 0.232 12.97 2 55.0 53.0 82 0 1 3 20.995 41.991 0.233 12.95 2 10.0 1.8 83 0 -3 2 21.034 42.069 0.233 12.9 2 47.5 39.4 84 1 2 2 21.118 42.237 0.234 12.78 2 25.6 11.3 85 1 -1 3 21.125 42.25 0.234 12.78 2 38.5 25.7 86 -3 -1 1 21.195 42.39 0.235 12.68 2 18.0 5.6 87 3 1 0 21.23 42.46 0.235 12.63 2 43.5 32.4 88 1 0 3 21.295 42.589 0.236 12.55 2 28.9 14.2 89 1 -3 2 21.363 42.725 0.236 12.46 2 28.7 13.9 90 2 2 1 21.391 42.781 0.237 12.42 2 30.7 15.8 91 -2 -2 2 21.484 42.969 0.238 12.3 2 19.1 6.1 92 -3 0 2 21.532 43.064 0.238 12.24 2 45.0 33.5 93 2 1 2 21.548 43.095 0.238 12.22 2 20.5 7.0 94 -3 1 2 21.627 43.253 0.239 12.12 2 29.5 14.3 95 3 -2 1 21.659 43.317 0.24 12.08 2 12.1 2.4 96 0 -2 3 21.723 43.447 0.24 12.0 2 29.3 13.9 97 -2 0 3 21.724 43.448 0.24 12.0 2 11.2 2.1 98 1 3 1 22.386 44.773 0.247 11.21 2 1.4 0.0 99 -2 1 3 22.43 44.86 0.248 11.17 2 30.4 14.0 100 -1 -2 3 22.661 45.322 0.25 10.91 2 7.9 0.9 101 -1 -3 2 22.666 45.332 0.25 10.9 2 27.6 11.2 102 1 -2 3 22.713 45.426 0.251 10.85 2 13.8 2.8 103 -2 -1 3 22.756 45.511 0.251 10.81 2 38.1 21.2 104 -1 3 2 22.8 45.6 0.252 10.76 2 6.3 0.6 105 -3 -1 2 23.166 46.332 0.255 10.38 2 3.4 0.2 106 1 1 3 23.191 46.382 0.256 10.35 2 35.0 17.1 107 3 1 1 23.263 46.526 0.256 10.28 2 29.8 12.4 108 -3 3 0 23.377 46.755 0.258 10.17 2 67.1 62.0 109 -3 2 2 23.434 46.868 0.258 10.11 2 34.9 16.7 110 0 3 2 23.556 47.113 0.259 9.99 2 34.4 16.0 111 -1 2 3 23.566 47.133 0.26 9.98 2 47.8 30.8 112 2 -3 2 23.586 47.171 0.26 9.97 2 13.7 2.5 113 -1 4 0 23.72 47.439 0.261 9.84 2 45.3 27.3 114 -2 3 2 23.901 47.802 0.263 9.67 2 21.9 6.3 115 3 -1 2 24.027 48.055 0.264 9.55 2 2.3 0.1 116 1 -4 1 24.128 48.256 0.265 9.46 2 7.9 0.8 117 -3 3 1 24.146 48.291 0.266 9.45 2 28.5 10.4 118 0 2 3 24.188 48.377 0.266 9.41 2 13.0 2.2 119 -2 -3 1 24.308 48.617 0.267 9.31 2 16.4 3.4 120 0 4 0 24.314 48.628 0.267 9.3 2 18.3 4.2 121 2 -1 3 24.38 48.759 0.268 9.24 2 91.5 104.6 122 0 -4 1 24.461 48.923 0.269 9.17 2 15.3 2.9 123 2 3 0 24.476 48.953 0.269 9.16 2 11.9 1.7 124 3 -3 1 24.503 49.006 0.269 9.14 2 43.8 23.7 125 -3 -2 1 24.694 49.389 0.271 8.98 2 28.1 9.6 126 3 0 2 24.726 49.452 0.272 8.95 2 17.9 3.9 127 -2 2 3 24.756 49.511 0.272 8.93 2 24.3 7.2 128 2 0 3 24.899 49.798 0.273 8.81 2 20.4 4.9 129 3 2 0 24.919 49.838 0.273 8.8 2 21.0 5.3 130 -2 4 0 24.928 49.855 0.274 8.79 2 11.8 1.7 131 3 -2 2 24.941 49.882 0.274 8.78 2 50.1 29.8 132 -4 1 0 25.06 50.12 0.275 8.68 2 2.3 0.1 133 -4 1 1 25.163 50.326 0.276 8.6 2 14.5 2.5 134 -1 4 1 25.178 50.355 0.276 8.59 2 72.1 60.4 135 2 2 2 25.221 50.442 0.277 8.56 2 49.4 28.2 136 0 -3 3 25.271 50.542 0.277 8.52 2 20.9 5.0 137 -2 -2 3 25.358 50.717 0.278 8.45 2 24.9 7.1 138 2 -2 3 25.453 50.907 0.279 8.38 2 6.8 0.5 139 -3 0 3 25.533 51.065 0.28 8.32 2 31.4 11.1 140 2 -4 1 25.569 51.138 0.28 8.29 2 13.5 2.0 141 -4 0 1 25.63 51.26 0.281 8.25 2 25.7 7.4 142 4 0 0 25.717 51.434 0.282 8.19 2 36.8 15.0 143 1 -3 3 25.803 51.606 0.283 8.12 2 11.1 1.4 144 -3 1 3 25.805 51.609 0.283 8.12 2 42.9 20.3 145 -2 -3 2 25.966 51.933 0.284 8.01 2 12.5 1.7 146 -4 2 0 25.967 51.933 0.284 8.01 2 41.5 18.7 147 0 4 1 25.992 51.984 0.284 7.99 2 22.9 5.7 148 1 3 2 26.047 52.093 0.285 7.95 2 14.7 2.3 149 -2 4 1 26.093 52.187 0.286 7.92 2 44.7 21.4 150 -1 0 4 26.133 52.267 0.286 7.89 2 9.9 1.0 151 0 0 4 26.253 52.505 0.287 7.81 2 42.2 18.8 152 -4 2 1 26.254 52.507 0.287 7.81 2 19.6 4.0 153 0 -1 4 26.274 52.548 0.287 7.8 2 23.2 5.7 154 -3 -2 2 26.278 52.557 0.287 7.79 2 31.9 10.7 155 1 -4 2 26.338 52.677 0.288 7.75 2 24.6 6.4 156 0 -4 2 26.411 52.821 0.289 7.7 2 3.6 0.1 157 2 3 1 26.444 52.889 0.289 7.68 2 6.6 0.5 158 -1 -3 3 26.462 52.924 0.289 7.67 2 20.6 4.4 159 -1 -1 4 26.506 53.012 0.29 7.64 2 10.5 1.1 160 -1 -4 1 26.519 53.038 0.29 7.63 2 31.5 10.2 161 1 2 3 26.526 53.052 0.29 7.63 2 4.0 0.2 162 1 4 0 26.621 53.242 0.291 7.57 2 15.7 2.5 163 -3 3 2 26.685 53.369 0.292 7.53 2 35.2 12.6 164 4 -1 1 26.742 53.484 0.292 7.49 2 7.3 0.5 165 -3 -1 3 26.798 53.597 0.293 7.45 2 45.0 20.4 166 3 2 1 26.919 53.838 0.294 7.38 2 24.0 5.8 167 3 1 2 26.944 53.887 0.294 7.36 2 11.4 1.3 168 2 1 3 26.944 53.888 0.294 7.36 2 4.4 0.2 169 -4 1 2 27.037 54.075 0.295 7.3 2 16.4 2.7 170 -1 1 4 27.277 54.553 0.297 7.16 2 15.9 2.4 171 -4 0 2 27.301 54.602 0.298 7.14 2 17.6 3.0 172 3 -3 2 27.347 54.695 0.298 7.12 2 15.5 2.3 173 4 -2 1 27.43 54.86 0.299 7.07 2 50.6 24.5 174 4 0 1 27.551 55.102 0.3 7.0 2 30.1 8.6 175 -3 2 3 27.582 55.164 0.301 6.98 2 54.1 27.6 176 -4 -1 1 27.598 55.195 0.301 6.97 2 11.6 1.3 177 -1 3 3 27.672 55.345 0.301 6.93 2 12.1 1.4 178 -2 0 4 27.687 55.374 0.302 6.92 2 58.6 32.2 179 1 -1 4 27.713 55.426 0.302 6.9 2 0.1 0.0 180 0 1 4 27.733 55.465 0.302 6.89 2 7.9 0.6 181 -3 4 0 27.764 55.528 0.302 6.88 2 27.6 7.1 182 0 -2 4 27.795 55.59 0.303 6.86 2 21.4 4.2 183 4 1 0 27.859 55.719 0.303 6.82 2 8.2 0.6 184 2 -4 2 27.929 55.858 0.304 6.78 2 21.8 4.4 185 2 -3 3 27.988 55.975 0.305 6.75 2 19.9 3.6 186 1 0 4 28.03 56.06 0.305 6.73 2 33.5 10.2 187 -1 -4 2 28.137 56.274 0.306 6.67 2 16.1 2.4 188 -4 2 2 28.254 56.508 0.307 6.61 2 16.6 2.5 189 -1 4 2 28.29 56.58 0.308 6.59 2 3.9 0.1 190 -4 3 0 28.331 56.661 0.308 6.57 2 30.5 8.3 191 -1 -2 4 28.353 56.706 0.308 6.56 2 10.8 1.0 192 -2 -1 4 28.38 56.761 0.309 6.54 2 53.1 25.0 193 -2 3 3 28.406 56.812 0.309 6.53 2 24.9 5.5 194 1 4 1 28.43 56.861 0.309 6.52 2 38.9 13.3 195 -2 1 4 28.457 56.913 0.309 6.5 2 52.7 24.4 196 0 3 3 28.562 57.124 0.31 6.45 2 17.5 2.7 197 3 -4 1 28.589 57.179 0.311 6.43 2 2.9 0.1 198 -3 4 1 28.621 57.243 0.311 6.42 2 5.3 0.2 199 -4 3 1 28.777 57.553 0.312 6.34 2 23.2 4.6 200 1 -2 4 28.854 57.709 0.313 6.3 2 45.3 17.5 201 -2 4 2 28.911 57.823 0.314 6.27 2 34.7 10.2 202 3 -1 3 28.958 57.916 0.314 6.25 2 2.2 0.0 203 -4 -1 2 29.018 58.035 0.315 6.22 2 18.3 2.8 204 -2 -3 3 29.228 58.455 0.317 6.12 2 30.1 7.5 205 0 4 2 29.269 58.539 0.317 6.1 2 9.3 0.7 206 -3 -3 1 29.304 58.608 0.318 6.09 2 8.7 0.6 207 -3 -2 3 29.464 58.928 0.319 6.01 2 38.9 12.3 208 4 -3 1 29.543 59.087 0.32 5.98 2 33.0 8.8 209 3 -2 3 29.593 59.186 0.321 5.95 2 2.7 0.1 210 3 3 0 29.676 59.351 0.321 5.92 2 46.2 17.1 211 3 0 3 29.745 59.491 0.322 5.88 2 30.2 7.3 212 4 1 1 29.774 59.548 0.322 5.87 2 62.1 30.6 213 1 1 4 29.775 59.55 0.322 5.87 2 34.6 9.5 214 -1 2 4 29.817 59.634 0.323 5.85 2 29.9 7.1 215 0 -4 3 29.913 59.827 0.324 5.81 2 0.3 0.0 216 2 3 2 29.963 59.925 0.324 5.79 2 4.0 0.1 217 4 -1 2 30.0 60.001 0.325 5.77 2 45.2 16.0 218 -2 -4 1 30.052 60.105 0.325 5.75 2 22.3 3.9 219 1 -4 3 30.069 60.138 0.325 5.74 2 7.8 0.5 220 -1 5 0 30.152 60.305 0.326 5.71 2 4.8 0.2 221 2 2 3 30.301 60.603 0.328 5.65 2 19.9 3.0 222 1 -5 1 30.331 60.662 0.328 5.63 2 20.5 3.2 223 2 4 0 30.367 60.734 0.328 5.62 2 59.5 26.9 224 3 2 2 30.452 60.904 0.329 5.58 2 53.6 21.7 225 -4 1 3 30.457 60.913 0.329 5.58 2 14.3 1.6 226 4 -2 2 30.472 60.943 0.329 5.58 2 48.6 17.8 227 -2 -2 4 30.472 60.943 0.329 5.58 2 32.1 7.8 228 -4 0 3 30.533 61.066 0.33 5.55 2 32.6 8.0 229 -3 -3 2 30.556 61.112 0.33 5.54 2 62.1 28.9 230 0 2 4 30.568 61.136 0.33 5.54 2 0.6 0.0 231 -2 2 4 30.617 61.235 0.331 5.52 2 29.5 6.5 232 2 -1 4 30.665 61.33 0.331 5.5 2 9.4 0.7 233 0 -3 4 30.665 61.331 0.331 5.5 2 18.2 2.5 234 -3 3 3 30.688 61.377 0.331 5.49 2 20.1 3.0 235 -3 0 4 30.743 61.487 0.332 5.47 2 3.9 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80.714 0.42 3.21 2 6.5 0.2 474 5 2 1 40.365 80.729 0.42 3.21 2 42.0 7.7 475 2 1 5 40.37 80.739 0.42 3.21 2 20.2 1.8 476 -1 3 5 40.401 80.802 0.421 3.21 2 16.0 1.1 477 4 -2 4 40.422 80.844 0.421 3.2 2 35.1 5.3 478 1 6 0 40.538 81.076 0.422 3.19 2 39.1 6.6 479 -5 0 4 40.558 81.115 0.422 3.19 2 3.5 0.1 480 3 4 2 40.601 81.203 0.422 3.18 2 6.7 0.2 481 6 0 0 40.609 81.218 0.423 3.18 2 6.7 0.2 482 0 -4 5 40.614 81.228 0.423 3.18 2 11.0 0.5 483 -2 3 5 40.628 81.256 0.423 3.18 2 28.1 3.4 484 -4 -4 1 40.644 81.288 0.423 3.18 2 6.6 0.2 485 2 3 4 40.689 81.378 0.423 3.17 2 26.4 3.0 486 -6 2 2 40.777 81.553 0.424 3.16 2 7.9 0.3 487 -4 0 5 40.798 81.595 0.424 3.16 2 15.1 1.0 488 5 -4 2 40.871 81.742 0.425 3.15 2 19.6 1.6 489 -5 -2 3 40.953 81.905 0.425 3.14 2 14.7 0.9 490 -4 1 5 41.028 82.057 0.426 3.14 2 10.9 0.5 491 -6 3 1 41.044 82.088 0.426 3.13 2 40.6 7.0 492 -6 3 0 41.054 82.108 0.426 3.13 2 20.3 1.7 493 -1 -5 4 41.078 82.156 0.427 3.13 2 25.8 2.8 494 -1 0 6 41.084 82.168 0.427 3.13 2 40.1 6.8 495 -1 -1 6 41.085 82.17 0.427 3.13 2 27.8 3.3 496 -6 0 2 41.11 82.221 0.427 3.13 2 0.6 0.0 497 1 -4 5 41.139 82.277 0.427 3.12 2 11.3 0.5 498 5 -2 3 41.139 82.277 0.427 3.12 2 6.7 0.2 499 5 -1 3 41.155 82.311 0.427 3.12 2 27.3 3.2 500 -3 -5 1 41.159 82.318 0.427 3.12 2 15.2 1.0 501 4 3 2 41.167 82.334 0.427 3.12 2 21.1 1.9 502 -1 -6 2 41.193 82.386 0.428 3.12 2 16.4 1.1 503 3 2 4 41.209 82.418 0.428 3.12 2 25.9 2.8 504 2 -5 4 41.222 82.445 0.428 3.11 2 21.3 1.9 505 6 -2 1 41.254 82.508 0.428 3.11 2 8.0 0.3 506 6 -1 1 41.254 82.509 0.428 3.11 2 5.9 0.1 507 0 -1 6 41.287 82.574 0.428 3.11 2 13.7 0.8 508 4 2 3 41.288 82.576 0.428 3.11 2 12.6 0.7 509 4 4 0 41.309 82.618 0.428 3.11 2 25.4 2.7 510 -2 6 2 41.349 82.699 0.429 3.1 2 27.5 3.2 511 -5 2 4 41.384 82.767 0.429 3.1 2 47.0 9.2 512 -1 6 2 41.386 82.771 0.429 3.1 2 32.4 4.4 513 -4 -4 2 41.395 82.789 0.429 3.1 2 10.1 0.4 514 -5 5 0 41.4 82.8 0.429 3.1 2 7.0 0.2 515 4 0 4 41.417 82.833 0.429 3.09 2 4.0 0.1 516 1 -6 3 41.425 82.85 0.429 3.09 2 11.7 0.6 517 3 -6 2 41.429 82.858 0.43 3.09 2 2.7 0.0 518 -1 -4 5 41.452 82.904 0.43 3.09 2 25.9 2.8 519 0 3 5 41.536 83.072 0.43 3.08 2 21.3 1.9 520 0 0 6 41.567 83.134 0.431 3.08 2 16.0 1.1 521 4 -3 4 41.764 83.528 0.432 3.06 2 1.7 0.0 522 3 5 0 41.777 83.554 0.432 3.06 2 22.9 2.2 523 -4 -1 5 41.792 83.584 0.433 3.06 2 5.8 0.1 524 3 -1 5 41.845 83.691 0.433 3.05 2 12.7 0.7 525 0 -6 3 41.852 83.703 0.433 3.05 2 17.3 1.2 526 -5 5 1 41.88 83.761 0.433 3.05 2 15.4 1.0 527 -3 -5 2 41.952 83.905 0.434 3.04 2 21.1 1.8 528 -2 0 6 41.96 83.92 0.434 3.04 2 11.8 0.6 529 -5 -1 4 41.982 83.965 0.434 3.04 2 33.9 4.7 530 -3 -4 4 42.021 84.043 0.435 3.04 2 3.2 0.0 531 2 5 2 42.058 84.117 0.435 3.03 2 2.7 0.0 532 3 -2 5 42.093 84.187 0.435 3.03 2 34.3 4.8 533 -5 -3 1 42.151 84.303 0.436 3.02 2 13.1 0.7 534 1 4 4 42.191 84.381 0.436 3.02 2 25.5 2.7 535 -3 3 5 42.214 84.428 0.436 3.02 2 34.4 4.8 536 0 -2 6 42.229 84.458 0.436 3.02 2 19.4 1.5 537 -2 -1 6 42.242 84.484 0.436 3.02 2 23.5 2.2 538 -4 6 0 42.294 84.588 0.437 3.01 2 29.2 3.5 539 -6 -1 1 42.304 84.607 0.437 3.01 2 18.9 1.5 540 -1 1 6 42.305 84.611 0.437 3.01 2 41.5 7.0 541 -1 -2 6 42.309 84.617 0.437 3.01 2 27.4 3.1 542 -4 -3 4 42.314 84.629 0.437 3.01 2 1.9 0.0 543 5 -5 1 42.33 84.659 0.437 3.01 2 50.3 10.3 544 1 6 1 42.33 84.66 0.437 3.01 2 9.8 0.4 545 5 -3 3 42.344 84.688 0.437 3.01 2 5.8 0.1 546 2 -6 3 42.356 84.711 0.437 3.01 2 2.0 0.0 547 5 0 3 42.394 84.788 0.438 3.0 2 7.6 0.2 548 -6 3 2 42.445 84.889 0.438 3.0 2 9.7 0.4 549 6 -3 1 42.475 84.949 0.438 3.0 2 14.9 0.9 550 6 0 1 42.477 84.953 0.438 3.0 2 7.7 0.2 551 -4 2 5 42.48 84.96 0.438 3.0 2 5.3 0.1 552 -5 4 3 42.531 85.062 0.439 2.99 2 41.1 6.9 553 -3 6 2 42.669 85.339 0.44 2.98 2 16.2 1.1 554 1 5 3 42.691 85.382 0.44 2.98 2 30.1 3.7 555 0 6 2 42.778 85.555 0.441 2.97 2 0.9 0.0 556 -3 -3 5 42.814 85.629 0.441 2.97 2 32.8 4.3 557 3 0 5 42.817 85.635 0.441 2.97 2 9.1 0.3 558 1 -1 6 42.844 85.687 0.441 2.97 2 16.3 1.1 559 -6 1 3 42.846 85.691 0.441 2.97 2 48.4 9.4 560 -5 -3 2 42.853 85.705 0.441 2.97 2 42.9 7.4 561 5 3 0 42.857 85.714 0.442 2.97 2 11.2 0.5 562 4 -6 1 42.88 85.761 0.442 2.96 2 1.3 0.0 563 -4 4 4 42.882 85.764 0.442 2.96 2 15.6 1.0 564 -2 1 6 42.898 85.796 0.442 2.96 2 8.0 0.3 565 6 1 0 42.906 85.812 0.442 2.96 2 33.4 4.5 566 -4 5 3 42.947 85.893 0.442 2.96 2 18.3 1.3 567 2 -4 5 43.016 86.033 0.443 2.95 2 21.0 1.8 568 0 1 6 43.066 86.131 0.443 2.95 2 1.3 0.0 569 -6 -1 2 43.108 86.215 0.444 2.95 2 3.0 0.0 570 -4 6 1 43.113 86.227 0.444 2.95 2 9.3 0.3 571 4 -5 3 43.135 86.269 0.444 2.94 2 13.5 0.7 572 4 4 1 43.378 86.755 0.446 2.93 2 19.3 1.5 573 1 0 6 43.402 86.803 0.446 2.92 2 28.4 3.2 574 -6 2 3 43.436 86.872 0.446 2.92 2 16.9 1.1 575 -6 0 3 43.472 86.943 0.447 2.92 2 5.9 0.1 576 1 -2 6 43.502 87.004 0.447 2.92 2 27.0 2.9 577 2 2 5 43.506 87.012 0.447 2.92 2 42.2 7.0 578 -4 -4 3 43.548 87.096 0.447 2.91 2 4.4 0.1 579 3 -3 5 43.558 87.117 0.447 2.91 2 16.3 1.0 580 -5 3 4 43.623 87.245 0.448 2.91 2 26.1 2.7 581 -1 -6 3 43.629 87.259 0.448 2.91 2 50.2 9.9 582 -2 -4 5 43.639 87.277 0.448 2.91 2 16.8 1.1 583 -6 4 0 43.641 87.283 0.448 2.91 2 40.7 6.5 584 -2 -6 1 43.684 87.368 0.448 2.9 2 18.2 1.3 585 4 1 4 43.739 87.478 0.449 2.9 2 37.9 5.7 586 -2 -5 4 43.739 87.478 0.449 2.9 2 14.3 0.8 587 -2 -2 6 43.74 87.48 0.449 2.9 2 2.0 0.0 588 5 2 2 43.742 87.484 0.449 2.9 2 26.1 2.7 589 -5 5 2 43.765 87.529 0.449 2.9 2 10.3 0.4 590 -6 4 1 43.779 87.558 0.449 2.9 2 19.2 1.4 591 3 5 1 43.798 87.596 0.449 2.9 2 15.2 0.9 592 3 -5 4 43.978 87.956 0.451 2.89 2 23.2 2.1 593 -4 -2 5 43.998 87.997 0.451 2.88 2 18.2 1.3 594 1 3 5 44.017 88.033 0.451 2.88 2 10.7 0.4 595 -2 5 4 44.058 88.116 0.451 2.88 2 20.2 1.6 596 -3 -5 3 44.147 88.294 0.452 2.88 2 7.4 0.2 597 -3 0 6 44.184 88.368 0.452 2.87 2 3.2 0.0 598 -1 5 4 44.2 88.399 0.453 2.87 2 17.5 1.2 599 6 -2 2 44.224 88.449 0.453 2.87 2 5.8 0.1 600 2 6 0 44.253 88.506 0.453 2.87 2 15.9 1.0 601 4 -4 4 44.314 88.628 0.453 2.87 2 18.5 1.3 602 6 -1 2 44.373 88.745 0.454 2.86 2 4.2 0.1 603 0 -3 6 44.384 88.768 0.454 2.86 2 21.0 1.7 604 -2 -6 2 44.517 89.034 0.455 2.85 2 17.8 1.2 605 -5 -2 4 44.614 89.229 0.456 2.85 2 1.0 0.0 606 3 -6 3 44.633 89.266 0.456 2.85 2 14.6 0.8 607 5 -5 2 44.659 89.318 0.456 2.85 2 9.7 0.4 608 1 -7 1 44.68 89.361 0.456 2.84 2 6.6 0.2 609 -1 2 6 44.736 89.473 0.457 2.84 2 24.1 2.2 610 -1 -3 6 44.742 89.484 0.457 2.84 2 19.5 1.5 611 -3 -1 6 44.743 89.487 0.457 2.84 2 4.1 0.1 612 5 -4 3 44.76 89.519 0.457 2.84 2 16.3 1.0 613 -1 7 0 44.82 89.64 0.458 2.84 2 49.0 9.2 614 -3 1 6 44.839 89.678 0.458 2.84 2 22.4 1.9 615 5 1 3 44.843 89.685 0.458 2.84 2 11.6 0.5 616 4 -6 2 44.868 89.736 0.458 2.84 2 11.5 0.5 617 -2 7 0 44.889 89.779 0.458 2.83 2 0.7 0.0 618 6 -4 1 44.906 89.811 0.458 2.83 2 9.0 0.3 619 6 1 1 44.909 89.818 0.458 2.83 2 0.3 0.0 620 2 -7 1 44.942 89.884 0.459 2.83 2 6.3 0.2 621 -5 -3 3 44.954 89.908 0.459 2.83 2 30.8 3.6 622 5 3 1 44.963 89.926 0.459 2.83 2 30.3 3.5 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 0 1 0 5.908 11.816 7.48316 324.6 58.3 58.8 5.6 2 1 0 0 6.228 12.456 7.10052 79.8 14.3 14.5 5.6 3 0 0 1 6.349 12.698 6.96567 46.2 8.3 8.4 5.6 4 -1 1 0 7.6 15.201 5.82388 99.0 17.8 17.9 5.6 5 0 -1 1 8.181 16.362 5.41302 7.6 1.4 1.4 5.6 6 -1 0 1 8.261 16.521 5.36128 34.9 6.3 6.3 5.6 7 1 0 1 9.519 19.039 4.65758 88.1 15.8 15.9 5.6 8 -1 1 1 9.795 19.59 4.52779 158.4 28.5 28.6 5.6 9 1 -1 1 10.058 20.116 4.41048 124.4 22.3 22.4 5.6 10 -1 -1 1 10.552 21.104 4.20633 16.4 2.9 3.0 5.6 11 0 2 0 11.88 23.761 3.74158 63.5 11.4 11.4 5.6 12 -1 2 0 12.165 24.331 3.65519 17.1 3.1 3.1 5.6 13 1 1 1 12.301 24.603 3.61542 556.7 100.0 100.0 5.6 14 -2 1 0 12.646 25.292 3.51848 73.5 13.2 13.2 5.6 15 0 -2 1 12.85 25.7 3.46348 34.2 6.1 6.1 5.6 16 -2 0 1 13.258 26.516 3.3588 214.0 38.4 38.4 5.6 17 -1 0 2 13.434 26.868 3.31557 12.6 2.3 2.3 5.6 18 1 -2 1 13.544 27.087 3.28917 272.1 48.9 48.8 5.6 19 -2 1 1 13.691 27.382 3.25439 255.1 45.8 45.7 5.6 20 -1 2 1 13.989 27.977 3.18656 44.1 7.9 7.9 5.6 21 0 2 1 14.15 28.3 3.15097 36.2 6.5 6.5 5.6 22 -1 -1 2 14.688 29.376 3.0379 364.9 65.5 65.3 5.6 23 -1 1 2 14.753 29.506 3.02484 118.1 21.2 21.1 5.6 24 2 0 1 14.888 29.775 2.99806 84.8 15.2 15.2 5.6 25 -1 -2 1 15.072 30.144 2.96223 109.3 19.6 19.6 5.6 26 1 -1 2 15.112 30.224 2.9546 8.3 1.5 1.5 5.6 27 -2 2 0 15.339 30.677 2.91194 12.0 2.2 2.1 5.6 28 -2 2 1 16.498 32.995 2.71249 51.1 9.2 9.1 5.6 29 0 -2 2 16.535 33.07 2.70651 59.2 10.6 10.6 5.6 30 -2 0 2 16.699 33.399 2.68064 11.6 2.1 2.1 5.7 31 2 -2 1 16.823 33.646 2.6615 22.1 4.0 3.9 5.7 32 1 2 1 16.912 33.824 2.6479 14.5 2.6 2.6 5.7 33 1 1 2 17.257 34.514 2.59652 145.2 26.1 25.9 5.7 34 -2 1 2 17.314 34.628 2.5882 25.5 4.6 4.5 5.7 35 2 1 1 17.349 34.699 2.58311 66.7 12.0 11.9 5.7 36 1 -2 2 17.431 34.862 2.5714 85.9 15.4 15.3 5.7 37 0 3 0 17.987 35.974 2.49439 45.9 8.2 8.2 5.7 38 -1 -2 2 18.03 36.06 2.48867 39.3 7.1 7.0 5.7 39 -1 2 2 18.138 36.276 2.47434 78.2 14.0 13.9 5.7 40 -2 -1 2 18.22 36.44 2.46361 21.2 3.8 3.8 5.7 41 0 -3 1 18.422 36.844 2.43747 23.4 4.2 4.2 5.7 42 2 -1 2 18.918 37.835 2.37589 5.7 1.0 1.0 5.7 43 3 0 0 18.993 37.985 2.36684 19.1 3.4 3.4 5.7 44 -3 1 1 19.06 38.12 2.3588 22.9 4.1 4.1 5.7 45 -3 0 1 19.193 38.387 2.34301 58.2 10.5 10.3 5.7 46 2 2 0 19.272 38.545 2.33377 116.5 20.9 20.7 5.7 47 -2 -2 1 19.306 38.613 2.3298 26.0 4.7 4.6 5.7 48 0 0 3 19.375 38.75 2.32189 93.3 16.8 16.6 5.7 49 -2 3 0 19.662 39.324 2.28932 224.0 40.2 39.7 5.7 50 0 3 1 19.851 39.702 2.26835 11.2 2.0 2.0 5.7 51 -3 2 0 20.186 40.372 2.23224 26.6 4.8 4.7 5.7 52 -1 -1 3 20.224 40.448 2.22821 39.4 7.1 7.0 5.7 53 1 3 0 20.421 40.842 2.20765 27.1 4.9 4.8 5.7 54 -1 -3 1 20.522 41.043 2.19729 148.7 26.7 26.3 5.7 55 -1 1 3 20.723 41.446 2.17686 22.6 4.1 4.0 5.7 56 -3 2 1 20.825 41.65 2.16668 13.7 2.5 2.4 5.7 57 3 0 1 20.981 41.962 2.15126 54.8 9.8 9.7 5.7 58 0 -3 2 21.034 42.069 2.14607 39.4 7.1 7.0 5.7 59 1 -1 3 21.125 42.25 2.13728 37.0 6.6 6.5 5.7 60 -3 -1 1 21.195 42.39 2.13053 5.6 1.0 1.0 5.7 61 3 1 0 21.23 42.46 2.1272 32.4 5.8 5.7 5.7 62 1 0 3 21.295 42.589 2.12103 14.2 2.5 2.5 5.7 63 2 2 1 21.391 42.781 2.11194 29.7 5.3 5.3 5.7 64 -2 -2 2 21.484 42.969 2.10317 6.1 1.1 1.1 5.7 65 -3 0 2 21.532 43.064 2.09875 40.5 7.3 7.2 5.7 66 -3 1 2 21.627 43.253 2.08998 14.3 2.6 2.5 5.7 67 0 -2 3 21.723 43.447 2.08114 16.0 2.9 2.8 5.7 68 -2 1 3 22.43 44.86 2.01882 14.0 2.5 2.5 5.7 69 -1 -3 2 22.666 45.332 1.99888 11.2 2.0 2.0 5.7 70 -2 -1 3 22.756 45.511 1.9914 21.2 3.8 3.7 5.7 71 1 1 3 23.191 46.382 1.95603 17.1 3.1 3.0 5.7 72 3 1 1 23.263 46.526 1.9503 12.4 2.2 2.2 5.7 73 -3 3 0 23.377 46.755 1.94129 62.0 11.1 10.9 5.7 74 -3 2 2 23.434 46.868 1.93688 16.7 3.0 2.9 5.7 75 -1 2 3 23.566 47.133 1.92661 49.3 8.9 8.7 5.7 76 -1 4 0 23.72 47.439 1.91487 27.3 4.9 4.8 5.7 77 -2 3 2 23.901 47.802 1.90119 6.3 1.1 1.1 5.7 78 -3 3 1 24.146 48.291 1.88306 10.4 1.9 1.8 5.7 79 0 4 0 24.314 48.628 1.87079 7.6 1.4 1.3 5.7 80 2 -1 3 24.38 48.759 1.86608 104.6 18.8 18.4 5.7 81 3 -3 1 24.503 49.006 1.85726 23.7 4.3 4.2 5.7 82 -3 -2 1 24.694 49.389 1.84375 9.6 1.7 1.7 5.7 83 -2 2 3 24.756 49.511 1.83949 7.2 1.3 1.3 5.7 84 3 -2 2 24.941 49.882 1.82668 41.7 7.5 7.3 5.7 85 -1 4 1 25.178 50.355 1.81061 62.9 11.3 11.0 5.8 86 2 2 2 25.221 50.442 1.80771 28.2 5.1 4.9 5.8 87 -2 -2 3 25.358 50.717 1.79855 7.1 1.3 1.2 5.8 88 -3 0 3 25.533 51.065 1.78709 11.1 2.0 1.9 5.8 89 -4 0 1 25.63 51.26 1.78076 7.4 1.3 1.3 5.8 90 4 0 0 25.717 51.434 1.77513 15.0 2.7 2.6 5.8 91 -3 1 3 25.805 51.609 1.76953 21.6 3.9 3.8 5.8 92 0 4 1 25.992 51.984 1.75766 26.0 4.7 4.6 5.8 93 -2 4 1 26.093 52.187 1.75129 21.4 3.8 3.7 5.8 94 0 0 4 26.253 52.505 1.74142 39.3 7.1 6.9 5.8 95 1 -4 2 26.338 52.677 1.73616 6.4 1.1 1.1 5.8 96 -1 -4 1 26.519 53.038 1.72517 11.5 2.1 2.0 5.8 97 -3 3 2 26.685 53.369 1.71524 12.6 2.3 2.2 5.8 98 -3 -1 3 26.798 53.597 1.7085 20.4 3.7 3.6 5.8 99 3 2 1 26.919 53.838 1.70142 7.2 1.3 1.3 5.8 100 4 -2 1 27.43 54.86 1.67212 24.5 4.4 4.3 5.8 101 4 0 1 27.551 55.102 1.66534 8.6 1.5 1.5 5.8 102 -3 2 3 27.582 55.164 1.6636 28.9 5.2 5.0 5.8 103 -2 0 4 27.687 55.374 1.65779 33.5 6.0 5.8 5.8 104 -3 4 0 27.764 55.528 1.65357 7.1 1.3 1.2 5.8 105 1 0 4 28.03 56.06 1.63911 10.2 1.8 1.8 5.8 106 -4 3 0 28.331 56.661 1.62315 9.3 1.7 1.6 5.8 107 -2 -1 4 28.38 56.761 1.62054 30.5 5.5 5.3 5.8 108 -2 1 4 28.457 56.913 1.61656 37.8 6.8 6.6 5.8 109 1 -2 4 28.854 57.709 1.59616 17.5 3.1 3.0 5.8 110 -2 4 2 28.911 57.823 1.59328 10.2 1.8 1.8 5.8 111 -2 -3 3 29.228 58.455 1.57753 7.5 1.4 1.3 5.8 112 -3 -2 3 29.464 58.928 1.566 12.3 2.2 2.1 5.8 113 4 -3 1 29.543 59.087 1.56218 8.8 1.6 1.5 5.8 114 3 3 0 29.676 59.351 1.55584 17.1 3.1 3.0 5.8 115 4 1 1 29.774 59.548 1.55116 47.4 8.5 8.2 5.8 116 -1 2 4 29.817 59.634 1.54913 7.1 1.3 1.2 5.8 117 4 -1 2 30.0 60.001 1.54054 16.0 2.9 2.8 5.8 118 2 4 0 30.367 60.734 1.52368 26.9 4.8 4.7 5.8 119 3 2 2 30.452 60.904 1.51985 48.8 8.8 8.4 5.8 120 -3 -3 2 30.556 61.112 1.51516 36.9 6.6 6.4 5.8 121 -2 2 4 30.617 61.235 1.51242 6.5 1.2 1.1 5.8 122 -4 3 2 30.835 61.671 1.50277 6.9 1.2 1.2 5.8 123 -2 5 0 30.87 61.739 1.50127 7.7 1.4 1.3 5.8 124 0 -5 1 30.934 61.868 1.49845 11.5 2.1 2.0 5.8 125 0 5 0 30.976 61.952 1.49663 14.7 2.6 2.5 5.8 126 3 -4 2 31.012 62.023 1.49508 5.8 1.0 1.0 5.8 127 -3 4 2 31.072 62.145 1.49244 27.1 4.9 4.7 5.8 128 -2 -4 2 31.337 62.674 1.48112 6.8 1.2 1.2 5.8 129 -1 -3 4 31.505 63.01 1.47401 9.7 1.7 1.7 5.9 130 -2 5 1 32.053 64.106 1.45142 7.1 1.3 1.2 5.9 131 2 4 1 32.254 64.508 1.44336 12.9 2.3 2.2 5.9 132 0 -5 2 32.46 64.92 1.43518 13.6 2.4 2.3 5.9 133 0 5 1 32.582 65.164 1.4304 10.2 1.8 1.8 5.9 134 4 -4 1 32.913 65.826 1.41762 21.1 3.8 3.6 5.9 135 4 1 2 33.165 66.331 1.40804 7.4 1.3 1.3 5.9 136 4 2 1 33.238 66.477 1.40531 33.8 6.1 5.8 5.9 137 -3 -3 3 33.324 66.648 1.40211 16.7 3.0 2.9 5.9 138 -1 -1 5 33.417 66.834 1.39866 16.3 2.9 2.8 5.9 139 2 -3 4 33.511 67.022 1.3952 14.4 2.6 2.5 5.9 140 -2 -3 4 33.807 67.615 1.38439 7.1 1.3 1.2 5.9 141 -3 -2 4 33.977 67.955 1.3783 12.2 2.2 2.1 5.9 142 -2 -4 3 34.118 68.236 1.3733 8.1 1.5 1.4 5.9 143 -5 -1 1 34.575 69.15 1.35735 13.9 2.5 2.4 5.9 144 -3 4 3 34.925 69.85 1.34547 9.6 1.7 1.6 5.9 145 3 3 2 35.037 70.074 1.3417 24.2 4.3 4.1 5.9 146 -4 -3 1 35.256 70.511 1.33445 7.5 1.4 1.3 5.9 147 1 0 5 35.32 70.64 1.33233 17.0 3.1 2.9 5.9 148 5 -3 1 35.535 71.069 1.32534 13.6 2.4 2.3 5.9 149 0 5 2 35.641 71.282 1.3219 24.0 4.3 4.1 5.9 150 1 -2 5 35.738 71.476 1.31879 38.8 7.0 6.6 5.9 151 3 0 4 35.779 71.558 1.31749 20.6 3.7 3.5 5.9 152 -4 -3 2 36.195 72.39 1.30437 5.9 1.1 1.0 5.9 153 -4 2 4 36.529 73.057 1.2941 9.4 1.7 1.6 6.0 154 5 -1 2 36.736 73.472 1.28781 8.7 1.6 1.5 6.0 155 1 1 5 37.024 74.049 1.27921 11.6 2.1 2.0 6.0 156 -1 6 0 37.108 74.215 1.27675 6.9 1.2 1.2 6.0 157 -2 2 5 37.339 74.679 1.26997 10.7 1.9 1.8 6.0 158 -2 6 0 37.469 74.938 1.26622 8.6 1.5 1.4 6.0 159 2 -6 1 37.676 75.352 1.26029 25.9 4.7 4.4 6.0 160 5 0 2 37.86 75.72 1.25507 9.3 1.7 1.6 6.0 161 5 -4 1 38.353 76.706 1.24137 9.5 1.7 1.6 6.0 162 -1 6 1 38.546 77.092 1.23612 5.6 1.0 0.9 6.0 163 -2 6 1 38.706 77.412 1.2318 16.4 2.9 2.8 6.0 164 -4 3 4 39.119 78.239 1.22085 9.9 1.8 1.7 6.0 165 4 -4 3 39.191 78.382 1.21897 20.8 3.7 3.5 6.0 166 -5 4 2 39.365 78.731 1.21445 8.2 1.5 1.4 6.0 167 -6 1 0 39.526 79.051 1.21033 13.7 2.5 2.3 6.0 168 -6 2 0 39.675 79.35 1.20652 7.0 1.3 1.2 6.0 169 -2 -5 3 39.931 79.861 1.20007 5.9 1.1 1.0 6.0 170 5 2 1 40.365 80.729 1.18935 9.4 1.7 1.6 6.1 171 4 -2 4 40.422 80.844 1.18794 6.5 1.2 1.1 6.1 172 1 6 0 40.538 81.076 1.18514 6.6 1.2 1.1 6.1 173 -6 3 1 41.044 82.088 1.17306 8.7 1.6 1.4 6.1 174 -1 -1 6 41.085 82.17 1.1721 12.9 2.3 2.1 6.1 175 5 -1 3 41.155 82.311 1.17045 6.0 1.1 1.0 6.1 176 2 -5 4 41.222 82.445 1.16889 5.9 1.1 1.0 6.1 177 -5 2 4 41.384 82.767 1.16516 14.3 2.6 2.4 6.1 178 -5 -1 4 41.982 83.965 1.15156 7.1 1.3 1.2 6.1 179 -3 3 5 42.214 84.428 1.14642 11.3 2.0 1.9 6.1 180 -1 1 6 42.305 84.611 1.14441 25.9 4.6 4.3 6.1 181 -5 4 3 42.531 85.062 1.13949 6.9 1.2 1.1 6.1 182 -3 -3 5 42.814 85.629 1.13339 5.7 1.0 0.9 6.1 183 -6 1 3 42.846 85.691 1.13272 17.3 3.1 2.8 6.1 184 2 2 5 43.506 87.012 1.11889 9.9 1.8 1.6 6.1 185 -6 4 0 43.641 87.283 1.11612 20.2 3.6 3.3 6.2 186 4 1 4 43.739 87.478 1.11413 9.6 1.7 1.6 6.2 187 -1 7 0 44.82 89.64 1.09278 11.7 2.1 1.9 6.2 188 -5 -3 3 44.954 89.908 1.09021 7.1 1.3 1.2 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) |