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 *** *********************** FOGOITE-(Y) 1, DN Na(3)Ca(2)Y(2)Ti[Si(2)O(7)](2)OF(3) Triclinic P 1(-) Z = 1 R =0.0281 NR =2157 12 .9 .17 Ref.Str.: Camara F., Sokolova E., Hawthorne F.C., Abdu Y.A.,Chapper T., Dorcet V., Carpentier J.-F. (2017) Mineral. Mag., 81, 369-381 L: $Na2.74 Mn0.15 Ca2.01 Y1.21 La0.01 Ce0.03 Nd0.03 Sm0.02 Gd0.08 Dy0.08 Er0.05 Yb0.04 Lu0.01 Mn0.16 Zr0.11 Na0.09 Fe2+0.07 Ti0.76 Nb0.23 Ta0.01 Si4.03 O15.12 F2.88$ R: Locality - the Lagoa do Fogo, SaoMiguel Island, the Azores. N.A.D. Initial data from BDM-file Lattice parameters (cub. angs.,degr.): a = 9.575 alpha = 89.99 b = 5.685 beta = 100.93 c = 7.279 gamma = 101.3 Unit cell volume (cub. angs.) = 381.21 Molar volume ( cub.cm/mol.) = 229.62 Co-ordinates, thermal parameters, occupation for atomic positions: NoP x/a y/b z/c B(j) atom / occupation 1 0.6363 0.2204 0.9099 0.0 Y = 0.61, Zr = 0.23, Mn = 0.11, Na = 0.05 2 0.6373 0.2248 0.4107 0.0 Ca = 1.00 3 0.0117 0.0221 0.9963 0.0 Ti = 0.38, Nb = 0.12, Ta = 0.0 4 0.0 0.0 0.5 0.0 Na = 0.96, Na = 0.0 5 0.997 0.4978 0.2468 0.0 Na = 0.89, Mn = 0.08 6 0.7136 0.7452 0.6535 0.0 Si = 1.00 7 0.7201 0.7444 0.2115 0.0 Si = 1.00 8 0.7446 0.7708 0.4393 0.0 O = 1.00 9 0.6138 0.9385 0.6769 0.0 O = 1.00 10 0.6131 0.9248 0.1324 0.0 O = 1.00 11 0.6374 0.4697 0.6756 0.0 O = 1.00 12 0.6552 0.4686 0.1488 0.0 O = 1.00 13 0.8746 0.8111 0.7826 0.0 O = 1.00 14 0.8824 0.8285 0.1703 0.0 O = 1.00 15 0.8787 0.2498 0.9673 0.0 O = 0.56, F = 0.44 16 0.8806 0.2988 0.4721 0.0 F = 1.00 Co-ordinates for all atomic positions : No NoP x/a y/b z/c 1 1 0.6363 0.2204 0.9099 2 2 0.6373 0.2248 0.4107 3 3 0.0117 0.0221 0.9963 4 4 0.0 0.0 0.5 5 5 0.997 0.4978 0.2468 6 6 0.7136 0.7452 0.6535 7 7 0.7201 0.7444 0.2115 8 8 0.7446 0.7708 0.4393 9 9 0.6138 0.9385 0.6769 10 10 0.6131 0.9248 0.1324 11 11 0.6374 0.4697 0.6756 12 12 0.6552 0.4686 0.1488 13 13 0.8746 0.8111 0.7826 14 14 0.8824 0.8285 0.1703 15 15 0.8787 0.2498 0.9673 16 16 0.8806 0.2988 0.4721 17 1 0.3637 0.7796 0.0901 18 2 0.3627 0.7752 0.5893 19 3 0.9883 0.9779 0.0037 20 5 0.003 0.5022 0.7532 21 6 0.2864 0.2548 0.3465 22 7 0.2799 0.2556 0.7885 23 8 0.2554 0.2292 0.5607 24 9 0.3862 0.0615 0.3231 25 10 0.3869 0.0752 0.8676 26 11 0.3626 0.5303 0.3244 27 12 0.3448 0.5314 0.8512 28 13 0.1254 0.1889 0.2174 29 14 0.1176 0.1715 0.8297 30 15 0.1213 0.7502 0.0327 31 16 0.1194 0.7012 0.5279 X-ray density (g/cm cub.) = 3.42 MU (1/cm) = 274.619 Mass attenuation coefficient (cm**2/g) = 80.307 Selected interatomic distances (cation-anion,anion-anion): NoP Atom Rad.sph. C.N. Distance NoP N. (angs.) (angs.) 1 Y ,Zr ,Mn ,Na 2.808 6 2.2842 9 2.3423 10 2.2172 11 2.1979 12 2.2515 15 2.3298 10 2 Ca 2.88 6 2.5446 9 2.5954 10 2.3781 11 2.3693 12 2.242 16 2.3647 9 3 Ti ,Nb ,Ta 2.568 6 2.0472 13 2.0996 14 1.9713 15 1.899 13 1.8299 14 2.0226 15 4 Na ,Na 2.808 8 2.493 8 2.6938 13 2.5542 14 2.2151 16 2.493 8 2.6938 13 2.5542 14 2.2151 16 5 Na ,Mn 2.808 6 2.3715 14 2.4314 15 2.326 16 2.3639 13 2.4365 15 2.3362 16 6 Si 2.1 4 1.6428 8 1.6199 9 1.6148 11 1.6197 13 7 Si 2.1 4 1.6328 8 1.6191 10 1.6014 12 1.6179 14 8 O 3.264 8 2.5998 9 2.5897 10 2.6309 11 2.6258 12 2.5603 13 2.548 14 3.0188 16 3.1944 16 9 O 3.264 7 2.5998 8 2.984 11 2.7186 11 2.7078 13 3.2004 15 3.2152 9 3.0095 10 10 O 3.264 7 2.5897 8 3.0377 12 2.7008 12 2.7033 14 3.2622 15 3.0095 9 2.8772 10 11 O 3.264 4 2.6309 8 2.7186 9 2.984 9 2.671 13 12 O 3.264 6 2.6258 8 2.7008 10 3.0377 10 2.6589 14 3.1605 15 3.1649 16 13 O 3.264 7 2.5603 8 2.7078 9 2.671 11 2.8101 14 2.8236 15 2.7493 14 2.7754 15 14 O 3.264 7 2.548 8 2.7033 10 2.6589 12 2.8101 13 2.8165 15 2.7493 13 2.7753 15 15 O ,F 3.264 7 3.2004 9 3.2622 10 3.1605 12 2.8236 13 2.8165 14 2.7754 13 2.7753 14 16 F 3.228 4 3.1944 8 3.0188 8 3.1649 12 2.8679 16 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 4.796 9.593 0.054 283.08 2 18.7 135.6 2 0 0 1 6.192 12.384 0.07 168.95 2 33.5 260.2 3 -1 0 1 7.067 14.134 0.08 129.17 2 10.4 19.3 4 0 1 0 7.948 15.896 0.09 101.66 2 36.0 181.6 5 -1 1 0 8.431 16.862 0.095 90.09 2 8.0 8.0 6 1 0 1 8.552 17.103 0.097 87.51 2 1.7 0.3 7 2 0 0 9.627 19.254 0.109 68.59 2 19.7 36.6 8 0 -1 1 9.908 19.817 0.112 64.63 2 4.7 2.0 9 1 1 0 10.095 20.19 0.114 62.18 2 15.4 20.3 10 -1 1 1 10.105 20.211 0.114 62.05 2 23.6 47.6 11 0 1 1 10.288 20.576 0.116 59.79 2 50.0 205.4 12 -2 0 1 10.406 20.812 0.117 58.4 2 11.0 9.7 13 1 -1 1 10.856 21.713 0.122 53.48 2 8.8 5.7 14 -1 -1 1 11.2 22.4 0.126 50.12 2 61.4 259.9 15 -2 1 0 11.22 22.44 0.126 49.93 2 82.7 470.5 16 -2 1 1 12.061 24.122 0.136 42.93 2 39.9 94.1 17 0 0 2 12.458 24.915 0.14 40.11 2 20.7 23.7 18 -1 0 2 12.46 24.919 0.14 40.1 2 23.2 29.6 19 2 0 1 12.463 24.926 0.14 40.07 2 46.5 119.1 20 1 1 1 12.519 25.039 0.141 39.7 2 29.4 47.1 21 2 -1 1 13.604 27.208 0.153 33.31 2 62.9 181.1 22 2 1 0 13.727 27.455 0.154 32.67 2 42.3 80.4 23 -2 -1 1 14.158 28.316 0.159 30.6 2 12.5 6.6 24 1 0 2 14.239 28.478 0.16 30.23 2 2.1 0.2 25 -2 0 2 14.245 28.49 0.16 30.2 2 2.1 0.2 26 3 0 0 14.528 29.055 0.163 28.96 2 153.6 939.9 27 -1 1 2 14.577 29.154 0.163 28.75 2 78.6 244.3 28 0 -1 2 14.58 29.159 0.163 28.74 2 73.2 212.0 29 -3 0 1 14.665 29.33 0.164 28.39 2 46.1 82.9 30 0 1 2 15.109 30.217 0.169 26.63 2 169.8 1056.7 31 -1 -1 2 15.115 30.23 0.169 26.61 2 174.8 1119.0 32 -3 1 0 15.139 30.277 0.17 26.52 2 81.6 243.2 33 -3 1 1 15.4 30.799 0.172 25.56 2 37.2 48.7 34 1 -1 2 15.644 31.289 0.175 24.71 2 1.1 0.0 35 -2 1 2 15.645 31.291 0.175 24.71 2 2.7 0.2 36 -1 2 0 15.812 31.623 0.177 24.15 2 71.5 169.8 37 2 1 1 16.01 32.019 0.179 23.51 2 24.1 18.8 38 0 2 0 16.054 32.108 0.18 23.37 2 90.6 263.8 39 -1 2 1 16.917 33.834 0.189 20.86 2 5.6 0.9 40 3 0 1 16.953 33.905 0.189 20.77 2 4.4 0.6 41 0 -2 1 17.035 34.07 0.19 20.55 2 4.2 0.5 42 -2 2 0 17.052 34.104 0.19 20.5 2 132.1 492.5 43 1 1 2 17.106 34.212 0.191 20.36 2 42.1 49.6 44 -2 -1 2 17.115 34.23 0.191 20.34 2 38.7 41.8 45 1 -2 1 17.163 34.326 0.192 20.22 2 15.1 6.4 46 2 0 2 17.302 34.604 0.193 19.86 2 43.3 51.2 47 -3 0 2 17.31 34.62 0.193 19.84 2 44.6 54.3 48 3 -1 1 17.373 34.746 0.194 19.69 2 6.1 1.0 49 0 2 1 17.497 34.995 0.195 19.38 2 13.6 4.9 50 1 2 0 17.726 35.452 0.198 18.84 2 41.5 44.8 51 -2 2 1 17.749 35.498 0.198 18.79 2 6.9 1.2 52 3 1 0 18.038 36.076 0.201 18.13 2 94.2 221.7 53 -3 -1 1 18.041 36.082 0.201 18.13 2 14.4 5.1 54 2 -1 2 18.055 36.11 0.201 18.1 2 90.7 204.8 55 -3 1 2 18.059 36.118 0.201 18.09 2 92.6 213.6 56 -1 -2 1 18.297 36.593 0.204 17.58 2 22.9 12.6 57 -1 0 3 18.552 37.104 0.207 17.05 2 8.0 1.5 58 2 -2 1 18.655 37.309 0.208 16.84 2 2.2 0.1 59 0 0 3 18.879 37.758 0.21 16.4 2 8.1 1.5 60 -4 0 1 19.328 38.656 0.215 15.57 2 35.8 27.5 61 1 2 1 19.379 38.759 0.215 15.48 2 28.3 17.0 62 -4 1 1 19.493 38.987 0.217 15.28 2 16.6 5.8 63 -3 2 0 19.527 39.053 0.217 15.22 2 23.8 11.8 64 -2 0 3 19.528 39.057 0.217 15.22 2 14.7 4.5 65 4 0 0 19.54 39.08 0.217 15.2 2 83.5 145.8 66 -4 1 0 19.6 39.2 0.218 15.1 2 9.4 1.8 67 -3 2 1 19.839 39.678 0.22 14.7 2 2.6 0.1 68 -1 2 2 20.124 40.248 0.223 14.24 2 76.4 114.5 69 0 -2 2 20.13 40.26 0.223 14.23 2 77.6 118.0 70 2 1 2 20.187 40.374 0.224 14.14 2 23.2 10.5 71 3 1 1 20.19 40.381 0.224 14.13 2 11.3 2.5 72 -1 1 3 20.194 40.388 0.224 14.13 2 4.5 0.4 73 -3 -1 2 20.198 40.395 0.224 14.12 2 18.9 6.9 74 0 -1 3 20.302 40.604 0.225 13.96 2 18.1 6.3 75 -1 -1 3 20.403 40.805 0.226 13.81 2 24.7 11.6 76 1 0 3 20.457 40.914 0.227 13.73 2 18.1 6.2 77 2 2 0 20.522 41.044 0.228 13.63 2 64.7 78.5 78 -2 2 2 20.544 41.087 0.228 13.6 2 96.2 173.2 79 1 -2 2 20.547 41.093 0.228 13.59 2 102.1 194.9 80 -2 1 3 20.71 41.42 0.23 13.36 2 7.7 1.1 81 -2 -2 1 20.728 41.456 0.23 13.33 2 1.7 0.1 82 0 1 3 20.899 41.798 0.232 13.09 2 35.1 22.2 83 0 2 2 20.928 41.855 0.232 13.05 2 13.9 3.5 84 -1 -2 2 20.936 41.872 0.232 13.04 2 12.4 2.7 85 3 0 2 21.167 42.334 0.234 12.72 2 23.4 9.6 86 -4 0 2 21.177 42.353 0.234 12.71 2 27.7 13.4 87 3 -2 1 21.264 42.529 0.235 12.59 2 11.0 2.1 88 1 -1 3 21.408 42.816 0.237 12.4 2 13.9 3.3 89 3 -1 2 21.42 42.84 0.237 12.38 2 38.0 24.6 90 -4 1 2 21.426 42.853 0.237 12.38 2 37.9 24.5 91 -3 0 3 21.66 43.32 0.24 12.08 2 17.5 5.1 92 -2 -1 3 21.695 43.391 0.24 12.03 2 20.0 6.6 93 4 -1 1 21.721 43.443 0.24 12.0 2 13.4 3.0 94 4 0 1 21.761 43.523 0.241 11.95 2 26.7 11.8 95 -3 2 2 22.129 44.258 0.245 11.51 2 64.5 65.8 96 2 -2 2 22.129 44.259 0.245 11.51 2 62.5 61.8 97 2 2 1 22.284 44.568 0.246 11.33 2 13.9 3.0 98 -3 1 3 22.378 44.756 0.247 11.22 2 13.8 2.9 99 -4 -1 1 22.462 44.924 0.248 11.13 2 15.4 3.6 100 1 1 3 22.732 45.463 0.251 10.83 2 3.8 0.2 101 4 1 0 22.741 45.483 0.251 10.82 2 11.0 1.8 102 1 2 2 22.849 45.698 0.252 10.71 2 68.6 69.4 103 -2 -2 2 22.859 45.719 0.252 10.7 2 59.6 52.3 104 -4 2 1 22.899 45.798 0.253 10.66 2 33.1 16.1 105 -4 2 0 22.901 45.803 0.253 10.65 2 77.2 87.3 106 2 0 3 23.073 46.146 0.254 10.47 2 36.3 19.0 107 2 -1 3 23.582 47.165 0.26 9.97 2 9.4 1.2 108 -1 3 0 23.984 47.968 0.264 9.59 2 51.3 34.7 109 3 1 2 24.015 48.03 0.264 9.57 2 158.0 328.6 110 -3 -1 3 24.025 48.051 0.264 9.56 2 12.6 2.1 111 -4 -1 2 24.027 48.054 0.264 9.55 2 155.1 316.4 112 -3 -2 1 24.041 48.082 0.264 9.54 2 10.8 1.5 113 -5 1 1 24.057 48.115 0.265 9.53 2 18.4 4.4 114 3 2 0 24.127 48.254 0.265 9.47 2 16.2 3.4 115 -5 0 1 24.272 48.545 0.267 9.34 2 2.4 0.1 116 -5 1 0 24.414 48.828 0.268 9.21 2 122.9 191.4 117 0 3 0 24.508 49.016 0.269 9.13 2 49.6 30.9 118 -2 3 0 24.53 49.059 0.269 9.12 2 26.6 8.9 119 0 -2 3 24.678 49.356 0.271 8.99 2 7.1 0.6 120 3 -2 2 24.7 49.399 0.271 8.97 2 10.6 1.4 121 -4 2 2 24.702 49.404 0.271 8.97 2 16.0 3.2 122 -4 0 3 24.708 49.415 0.271 8.97 2 40.2 20.0 123 4 -2 1 24.709 49.418 0.271 8.97 2 52.7 34.3 124 5 0 0 24.713 49.426 0.271 8.96 2 26.4 8.6 125 -1 2 3 24.755 49.509 0.272 8.93 2 35.3 15.3 126 4 1 1 24.817 49.634 0.272 8.88 2 1.5 0.0 127 -2 2 3 24.851 49.703 0.273 8.85 2 30.8 11.6 128 -1 3 1 24.865 49.73 0.273 8.84 2 38.8 18.3 129 1 -3 1 24.874 49.747 0.273 8.83 2 32.9 13.2 130 -4 1 3 25.015 50.03 0.274 8.72 2 11.0 1.5 131 -1 0 4 25.042 50.085 0.275 8.7 2 206.7 511.2 132 -1 -2 3 25.11 50.219 0.275 8.64 2 0.5 0.0 133 0 -3 1 25.125 50.25 0.276 8.63 2 1.9 0.0 134 -2 3 1 25.138 50.275 0.276 8.62 2 2.1 0.1 135 1 -2 3 25.293 50.587 0.277 8.5 2 37.1 16.1 136 4 -1 2 25.451 50.902 0.279 8.38 2 71.2 58.5 137 -5 1 2 25.459 50.918 0.279 8.38 2 72.3 60.3 138 2 1 3 25.502 51.004 0.279 8.34 2 37.7 16.3 139 0 0 4 25.558 51.117 0.28 8.3 2 14.0 2.2 140 -2 0 4 25.563 51.126 0.28 8.3 2 24.7 7.0 141 4 0 2 25.571 51.141 0.28 8.29 2 22.0 5.5 142 -5 0 2 25.581 51.163 0.28 8.28 2 24.5 6.9 143 0 3 1 25.632 51.265 0.281 8.25 2 32.4 11.9 144 2 -3 1 25.662 51.324 0.281 8.23 2 24.1 6.6 145 2 2 2 25.692 51.385 0.281 8.2 2 86.1 83.6 146 0 2 3 25.698 51.397 0.281 8.2 2 49.1 27.2 147 -3 -2 2 25.704 51.408 0.282 8.2 2 89.4 90.1 148 3 2 1 25.949 51.898 0.284 8.02 2 21.6 5.2 149 -3 2 3 25.98 51.959 0.284 8.0 2 4.8 0.3 150 1 3 0 26.054 52.107 0.285 7.95 2 12.4 1.7 151 -3 3 0 26.095 52.19 0.286 7.92 2 63.4 43.8 152 -1 -3 1 26.395 52.789 0.289 7.71 2 33.6 12.0 153 -3 3 1 26.427 52.854 0.289 7.69 2 8.9 0.8 154 -1 1 4 26.44 52.879 0.289 7.68 2 19.5 4.0 155 -1 -1 4 26.446 52.891 0.289 7.68 2 15.4 2.5 156 5 -1 1 26.477 52.953 0.289 7.66 2 13.8 2.0 157 3 0 3 26.494 52.988 0.29 7.65 2 23.8 5.9 158 -2 -2 3 26.552 53.103 0.29 7.61 2 72.1 54.5 159 -2 1 4 26.612 53.225 0.291 7.57 2 31.5 10.3 160 0 -1 4 26.614 53.227 0.291 7.57 2 34.8 12.6 161 3 -1 3 26.627 53.253 0.291 7.56 2 1.3 0.0 162 -5 2 1 26.68 53.361 0.291 7.53 2 18.9 3.7 163 5 0 1 26.84 53.681 0.293 7.43 2 45.3 20.9 164 2 -2 3 26.904 53.808 0.294 7.39 2 40.6 16.8 165 -5 2 0 26.931 53.862 0.294 7.37 2 77.6 61.0 166 1 0 4 27.068 54.137 0.295 7.28 2 6.6 0.4 167 -3 0 4 27.078 54.155 0.295 7.28 2 2.6 0.1 168 -4 -1 3 27.194 54.388 0.297 7.21 2 46.5 21.4 169 0 1 4 27.262 54.525 0.297 7.17 2 31.5 9.8 170 -2 -1 4 27.273 54.545 0.297 7.16 2 26.6 7.0 171 -5 -1 1 27.277 54.553 0.297 7.16 2 4.2 0.2 172 1 3 1 27.377 54.754 0.298 7.1 2 7.0 0.5 173 -1 3 2 27.39 54.78 0.299 7.09 2 121.9 145.0 174 0 -3 2 27.398 54.795 0.299 7.09 2 114.1 126.9 175 -2 3 2 27.401 54.803 0.299 7.08 2 90.3 79.6 176 1 -3 2 27.406 54.813 0.299 7.08 2 92.7 83.7 177 3 -3 1 27.425 54.851 0.299 7.07 2 24.7 5.9 178 1 2 3 27.605 55.211 0.301 6.97 2 43.6 18.2 179 5 1 0 27.762 55.525 0.302 6.88 2 70.6 47.1 180 1 -1 4 27.765 55.529 0.302 6.88 2 54.0 27.6 181 -3 1 4 27.768 55.536 0.302 6.87 2 49.3 23.0 182 -4 -2 1 28.017 56.034 0.305 6.74 2 40.6 15.3 183 -4 2 3 28.051 56.102 0.305 6.72 2 43.4 17.4 184 4 -2 2 28.062 56.123 0.305 6.71 2 106.4 104.6 185 -5 2 2 28.066 56.132 0.305 6.71 2 102.4 96.9 186 4 2 0 28.334 56.667 0.308 6.57 2 80.9 59.1 187 0 3 2 28.349 56.697 0.308 6.56 2 33.4 10.0 188 -1 -3 2 28.358 56.716 0.308 6.55 2 38.4 13.3 189 -3 3 2 28.381 56.762 0.309 6.54 2 36.0 11.7 190 2 -3 2 28.384 56.768 0.309 6.54 2 32.6 9.5 191 4 1 2 28.396 56.792 0.309 6.53 2 15.0 2.0 192 -5 -1 2 28.409 56.817 0.309 6.53 2 17.8 2.9 193 -5 1 3 28.43 56.86 0.309 6.52 2 23.8 5.1 194 -5 0 3 28.465 56.931 0.309 6.5 2 10.6 1.0 195 2 3 0 28.503 57.006 0.31 6.48 2 58.1 30.1 196 -4 3 0 28.561 57.122 0.31 6.45 2 41.5 15.3 197 -2 -3 1 28.587 57.174 0.311 6.44 2 24.1 5.1 198 -4 3 1 28.637 57.274 0.311 6.41 2 48.1 20.4 199 5 -2 1 28.788 57.577 0.313 6.33 2 14.2 1.7 200 -3 -2 3 28.898 57.796 0.314 6.28 2 4.8 0.2 201 -6 1 1 28.996 57.992 0.315 6.23 2 11.1 1.1 202 1 1 4 29.023 58.046 0.315 6.22 2 31.7 8.6 203 3 1 3 29.024 58.049 0.315 6.22 2 26.7 6.1 204 -3 -1 4 29.037 58.075 0.315 6.21 2 24.1 5.0 205 3 2 2 29.274 58.549 0.317 6.1 2 94.5 74.9 206 -4 -2 2 29.288 58.575 0.318 6.09 2 95.4 76.3 207 3 -2 3 29.398 58.795 0.319 6.04 2 6.3 0.3 208 2 0 4 29.468 58.936 0.319 6.01 2 118.0 115.1 209 -4 0 4 29.481 58.962 0.319 6.0 2 119.4 117.8 210 -6 0 1 29.495 58.989 0.32 6.0 2 40.5 13.5 211 -6 1 0 29.544 59.087 0.32 5.98 2 91.7 69.2 212 5 1 1 29.814 59.627 0.323 5.85 2 9.9 0.8 213 2 -1 4 29.822 59.645 0.323 5.85 2 58.4 27.5 214 -4 1 4 29.83 59.66 0.323 5.85 2 61.5 30.4 215 2 3 1 29.984 59.968 0.324 5.78 2 26.3 5.5 216 5 -1 2 29.998 59.995 0.325 5.77 2 90.0 64.4 217 -6 1 2 30.007 60.013 0.325 5.77 2 87.7 61.1 218 4 -3 1 30.048 60.097 0.325 5.75 2 41.4 13.6 219 6 0 0 30.112 60.224 0.326 5.73 2 45.6 16.4 220 4 2 1 30.206 60.412 0.327 5.69 2 40.6 12.9 221 1 3 2 30.216 60.433 0.327 5.68 2 59.7 27.9 222 -2 2 4 30.222 60.445 0.327 5.68 2 59.8 28.0 223 -2 -3 2 30.228 60.455 0.327 5.68 2 58.4 26.7 224 0 -2 4 30.229 60.457 0.327 5.68 2 50.1 19.6 225 -4 3 2 30.268 60.537 0.327 5.66 2 89.8 62.8 226 3 -3 2 30.269 60.538 0.327 5.66 2 89.5 62.3 227 2 2 3 30.355 60.71 0.328 5.62 2 15.1 1.8 228 -1 2 4 30.367 60.734 0.328 5.62 2 57.5 25.6 229 4 -1 3 30.372 60.745 0.328 5.62 2 49.8 19.1 230 -1 -2 4 30.378 60.756 0.328 5.61 2 56.5 24.6 231 5 0 2 30.408 60.817 0.329 5.6 2 71.9 39.9 232 -6 0 2 30.42 60.84 0.329 5.6 2 70.8 38.6 233 4 0 3 30.554 61.107 0.33 5.54 2 3.0 0.1 234 -5 2 3 30.942 61.885 0.334 5.39 2 43.2 13.8 235 -3 2 4 30.992 61.985 0.334 5.37 2 89.0 58.6 236 1 -2 4 30.995 61.989 0.334 5.37 2 87.1 56.1 237 -6 2 1 31.035 62.07 0.335 5.35 2 12.5 1.2 238 -5 -1 3 31.043 62.086 0.335 5.35 2 21.4 3.4 239 -2 3 3 31.075 62.15 0.335 5.34 2 25.0 4.6 240 0 -3 3 31.079 62.159 0.335 5.34 2 27.6 5.6 241 -1 3 3 31.29 62.581 0.337 5.26 2 11.0 0.9 242 1 -3 3 31.313 62.626 0.337 5.25 2 10.4 0.8 243 0 2 4 31.42 62.839 0.338 5.21 2 54.8 21.5 244 -2 -2 4 31.434 62.869 0.339 5.21 2 62.1 27.6 245 -6 2 0 31.487 62.975 0.339 5.19 2 12.3 1.1 246 -3 -3 1 31.581 63.162 0.34 5.15 2 6.9 0.3 247 6 -1 1 31.599 63.198 0.34 5.15 2 4.5 0.1 248 2 1 4 31.623 63.246 0.34 5.14 2 80.2 45.5 249 -4 -1 4 31.641 63.281 0.341 5.13 2 85.3 51.3 250 -5 3 1 31.646 63.293 0.341 5.13 2 14.0 1.4 251 3 3 0 31.726 63.451 0.341 5.1 2 106.9 80.2 252 -1 -3 3 31.747 63.494 0.342 5.09 2 2.0 0.0 253 -3 3 3 31.761 63.523 0.342 5.09 2 2.1 0.0 254 -5 3 0 31.799 63.597 0.342 5.08 2 80.4 45.2 255 -1 0 5 31.973 63.945 0.344 5.02 2 25.9 4.6 256 -4 -2 3 32.027 64.054 0.344 5.0 2 0.3 0.0 257 5 -2 2 32.073 64.147 0.345 4.98 2 93.1 59.5 258 -6 2 2 32.08 64.159 0.345 4.98 2 92.5 58.6 259 -2 0 5 32.198 64.396 0.346 4.94 2 7.3 0.4 260 6 0 1 32.219 64.438 0.346 4.93 2 9.1 0.6 261 0 3 3 32.397 64.794 0.348 4.87 2 10.4 0.7 262 2 -3 3 32.437 64.874 0.348 4.86 2 8.7 0.5 263 -6 -1 1 32.46 64.92 0.348 4.85 2 25.2 4.2 264 -6 1 3 32.487 64.974 0.349 4.84 2 27.4 5.0 265 -5 -2 1 32.539 65.078 0.349 4.83 2 5.3 0.2 266 0 0 5 32.635 65.27 0.35 4.8 2 1.4 0.0 267 2 -2 4 32.638 65.276 0.35 4.8 2 1.8 0.0 268 3 0 4 32.64 65.28 0.35 4.8 2 48.3 15.4 269 -4 2 4 32.64 65.28 0.35 4.8 2 9.3 0.6 270 4 -2 3 32.654 65.307 0.35 4.79 2 28.4 5.3 271 -5 0 4 32.656 65.313 0.35 4.79 2 46.9 14.5 272 3 -1 4 32.685 65.369 0.351 4.78 2 8.8 0.5 273 -5 1 4 32.696 65.392 0.351 4.78 2 1.9 0.0 274 -6 0 3 32.811 65.621 0.352 4.74 2 16.3 1.7 275 -1 4 0 32.863 65.726 0.352 4.73 2 29.9 5.8 276 2 3 2 32.902 65.803 0.353 4.71 2 49.4 15.9 277 -3 -3 2 32.915 65.829 0.353 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299 -5 -2 2 33.491 66.982 0.358 4.54 2 20.2 2.5 300 1 -4 1 33.523 67.045 0.358 4.53 2 8.9 0.5 301 0 4 0 33.58 67.159 0.359 4.51 2 135.3 113.7 302 -2 4 1 33.597 67.195 0.359 4.51 2 2.9 0.1 303 -2 -1 5 33.619 67.239 0.359 4.5 2 52.1 16.8 304 -1 4 1 33.658 67.315 0.36 4.49 2 35.3 7.7 305 3 2 3 33.835 67.67 0.361 4.44 2 22.6 3.1 306 2 -4 1 33.895 67.791 0.362 4.43 2 9.5 0.6 307 -3 1 5 33.984 67.968 0.363 4.4 2 35.5 7.6 308 0 -4 1 34.017 68.034 0.363 4.39 2 22.8 3.1 309 -3 4 0 34.048 68.096 0.363 4.39 2 118.0 84.0 310 1 0 5 34.158 68.317 0.364 4.36 2 51.7 16.0 311 0 1 5 34.183 68.367 0.365 4.35 2 31.3 5.9 312 -7 1 1 34.313 68.626 0.366 4.32 2 5.2 0.2 313 1 3 3 34.349 68.698 0.366 4.31 2 18.3 2.0 314 -3 4 1 34.402 68.804 0.367 4.29 2 28.1 4.7 315 3 -3 3 34.405 68.811 0.367 4.29 2 25.1 3.7 316 -6 2 3 34.548 69.095 0.368 4.26 2 4.2 0.1 317 0 4 1 34.58 69.16 0.368 4.25 2 1.0 0.0 318 1 -1 5 34.698 69.397 0.37 4.22 2 64.0 23.8 319 5 -1 3 34.721 69.442 0.37 4.21 2 4.0 0.1 320 3 1 4 34.966 69.933 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342 -4 1 5 35.628 71.255 0.378 4.0 2 45.7 11.5 343 -3 -3 3 35.641 71.282 0.378 4.0 2 2.7 0.0 344 6 0 2 35.673 71.347 0.379 3.99 2 33.6 6.2 345 -7 0 2 35.686 71.372 0.379 3.99 2 40.3 8.9 346 -5 3 3 35.689 71.378 0.379 3.99 2 5.4 0.2 347 -6 3 0 35.712 71.425 0.379 3.98 2 64.8 23.0 348 7 0 0 35.825 71.649 0.38 3.96 2 1.8 0.0 349 -5 -2 3 35.845 71.691 0.38 3.95 2 22.0 2.6 350 -1 4 2 35.859 71.718 0.38 3.95 2 36.2 7.1 351 0 -4 2 35.868 71.736 0.38 3.95 2 30.6 5.1 352 -4 4 0 35.908 71.815 0.381 3.94 2 11.7 0.7 353 -7 2 1 35.909 71.818 0.381 3.94 2 19.9 2.1 354 -2 3 4 35.929 71.858 0.381 3.93 2 55.8 16.8 355 0 -3 4 35.94 71.879 0.381 3.93 2 59.4 19.1 356 1 1 5 35.953 71.906 0.381 3.93 2 35.4 6.8 357 2 2 4 36.035 72.071 0.382 3.91 2 8.4 0.4 358 -4 4 1 36.044 72.087 0.382 3.91 2 3.2 0.1 359 -4 -2 4 36.057 72.114 0.382 3.91 2 14.5 1.1 360 -3 4 2 36.165 72.329 0.383 3.88 2 37.1 7.3 361 2 -4 2 36.17 72.339 0.383 3.88 2 34.9 6.5 362 4 -1 4 36.265 72.529 0.384 3.86 2 105.7 59.4 363 -6 1 4 36.279 72.559 0.384 3.86 2 103.1 56.5 364 3 3 2 36.322 72.643 0.384 3.85 2 42.7 9.7 365 1 4 1 36.334 72.669 0.385 3.85 2 10.9 0.6 366 -4 -3 2 36.336 72.672 0.385 3.85 2 40.9 8.9 367 -1 3 4 36.339 72.678 0.385 3.85 2 30.2 4.8 368 -1 -3 4 36.354 72.707 0.385 3.85 2 25.8 3.5 369 -3 3 4 36.36 72.72 0.385 3.84 2 18.8 1.9 370 1 -3 4 36.367 72.733 0.385 3.84 2 23.0 2.8 371 5 -3 2 36.404 72.808 0.385 3.84 2 32.4 5.5 372 -6 3 2 36.407 72.815 0.385 3.84 2 32.4 5.6 373 -2 2 5 36.474 72.948 0.386 3.82 2 13.1 0.9 374 2 0 5 36.492 72.983 0.386 3.82 2 9.0 0.4 375 4 0 4 36.499 72.998 0.386 3.82 2 34.9 6.4 376 -6 0 4 36.519 73.037 0.386 3.81 2 32.8 5.6 377 -7 2 0 36.539 73.079 0.386 3.81 2 16.8 1.5 378 -1 -2 5 36.551 73.101 0.387 3.81 2 18.5 1.8 379 5 -2 3 36.588 73.176 0.387 3.8 2 1.4 0.0 380 0 -2 5 36.624 73.247 0.387 3.79 2 0.8 0.0 381 6 -2 2 36.668 73.336 0.388 3.78 2 51.6 13.9 382 -7 2 2 36.676 73.352 0.388 3.78 2 55.8 16.2 383 2 -1 5 36.742 73.483 0.388 3.77 2 15.1 1.2 384 -1 2 5 36.814 73.629 0.389 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37.624 75.247 0.396 3.61 2 36.7 6.7 407 -7 0 3 37.705 75.409 0.397 3.59 2 10.8 0.6 408 5 1 3 37.904 75.809 0.399 3.56 2 34.6 5.9 409 -5 0 5 37.964 75.928 0.399 3.55 2 54.2 14.4 410 7 0 1 37.976 75.952 0.399 3.55 2 11.5 0.7 411 4 2 3 37.978 75.955 0.399 3.55 2 3.7 0.1 412 0 2 5 37.982 75.965 0.399 3.55 2 1.9 0.0 413 -7 -1 1 38.061 76.122 0.4 3.53 2 14.1 1.0 414 -5 1 5 38.068 76.137 0.4 3.53 2 30.9 4.7 415 5 2 2 38.256 76.513 0.402 3.5 2 85.6 35.3 416 6 2 0 38.265 76.53 0.402 3.5 2 45.9 10.1 417 -6 -2 2 38.272 76.543 0.402 3.5 2 81.3 31.8 418 -4 2 5 38.289 76.579 0.402 3.5 2 16.5 1.3 419 4 -2 4 38.306 76.611 0.402 3.49 2 54.5 14.3 420 -6 2 4 38.315 76.631 0.402 3.49 2 58.1 16.3 421 -5 4 1 38.481 76.962 0.404 3.47 2 18.6 1.7 422 2 1 5 38.512 77.025 0.404 3.46 2 10.4 0.5 423 7 -2 1 38.542 77.083 0.404 3.46 2 45.5 9.9 424 -5 4 0 38.553 77.106 0.405 3.46 2 21.1 2.1 425 6 1 2 38.597 77.193 0.405 3.45 2 31.5 4.7 426 -7 -1 2 38.611 77.223 0.405 3.45 2 32.1 4.9 427 -4 -3 3 38.755 77.51 0.406 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0 4 41.015 82.03 0.426 3.14 2 44.0 8.3 493 0 -1 6 41.037 82.075 0.426 3.13 2 21.0 1.9 494 -7 0 4 41.038 82.075 0.426 3.13 2 39.6 6.8 495 -3 1 6 41.039 82.077 0.426 3.13 2 27.0 3.1 496 7 1 1 41.045 82.09 0.426 3.13 2 14.3 0.9 497 -8 0 1 41.045 82.09 0.426 3.13 2 14.7 0.9 498 6 -2 3 41.174 82.349 0.427 3.12 2 24.9 2.7 499 -4 -2 5 41.259 82.519 0.428 3.11 2 1.4 0.0 500 -6 1 5 41.268 82.536 0.428 3.11 2 1.0 0.0 501 3 -4 3 41.314 82.628 0.429 3.11 2 19.4 1.6 502 -8 2 1 41.331 82.662 0.429 3.1 2 7.6 0.2 503 -6 0 5 41.433 82.865 0.43 3.09 2 9.7 0.4 504 7 0 2 41.435 82.871 0.43 3.09 2 16.6 1.2 505 -8 0 2 41.449 82.899 0.43 3.09 2 16.8 1.2 506 2 4 2 41.578 83.156 0.431 3.08 2 43.9 8.2 507 -3 -4 2 41.592 83.184 0.431 3.08 2 45.4 8.7 508 -2 -4 3 41.603 83.205 0.431 3.08 2 31.6 4.2 509 -6 4 1 41.679 83.357 0.432 3.07 2 37.9 6.1 510 3 -2 5 41.752 83.504 0.432 3.06 2 44.7 8.4 511 3 1 5 41.828 83.655 0.433 3.05 2 11.3 0.5 512 0 1 6 41.829 83.659 0.433 3.05 2 11.5 0.6 513 -3 -1 6 41.845 83.69 0.433 3.05 2 2.2 0.0 514 7 -2 2 41.857 83.715 0.433 3.05 2 55.9 13.1 515 -8 2 2 41.867 83.733 0.433 3.05 2 51.5 11.1 516 -2 3 5 41.869 83.738 0.433 3.05 2 43.3 7.9 517 0 -3 5 41.886 83.772 0.433 3.05 2 38.3 6.2 518 1 0 6 41.941 83.882 0.434 3.04 2 37.3 5.8 519 -6 4 0 41.951 83.902 0.434 3.04 2 103.9 45.2 520 -4 0 6 41.955 83.911 0.434 3.04 2 34.3 4.9 521 8 0 0 41.984 83.968 0.434 3.04 2 116.9 57.1 522 5 3 1 42.048 84.096 0.435 3.03 2 4.0 0.1 523 -3 3 5 42.081 84.162 0.435 3.03 2 2.0 0.0 524 -1 -3 5 42.082 84.163 0.435 3.03 2 1.6 0.0 525 -8 2 0 42.137 84.274 0.435 3.03 2 19.2 1.5 526 7 -3 1 42.153 84.306 0.436 3.02 2 9.2 0.4 527 3 4 1 42.18 84.361 0.436 3.02 2 18.6 1.4 528 5 -2 4 42.238 84.476 0.436 3.02 2 12.2 0.6 529 -7 2 4 42.251 84.502 0.436 3.02 2 8.3 0.3 530 -8 1 3 42.366 84.732 0.437 3.01 2 23.0 2.2 531 1 -1 6 42.382 84.763 0.438 3.0 2 71.4 21.1 532 -4 1 6 42.389 84.777 0.438 3.0 2 68.3 19.3 533 -5 4 3 42.391 84.783 0.438 3.0 2 7.5 0.2 534 2 3 4 42.446 84.891 0.438 3.0 2 86.6 31.0 535 -1 3 5 42.462 84.925 0.438 3.0 2 43.3 7.7 536 -4 -3 4 42.471 84.942 0.438 3.0 2 95.2 37.4 537 1 -3 5 42.496 84.992 0.439 2.99 2 35.2 5.1 538 4 -3 4 42.521 85.043 0.439 2.99 2 74.9 23.1 539 -6 3 4 42.526 85.052 0.439 2.99 2 73.5 22.2 540 -5 -3 3 42.6 85.2 0.439 2.99 2 20.9 1.8 541 -7 3 3 42.678 85.357 0.44 2.98 2 33.9 4.7 542 -2 5 0 42.695 85.391 0.44 2.98 2 12.6 0.7 543 2 2 5 42.708 85.416 0.44 2.98 2 27.1 3.0 544 1 4 3 42.719 85.439 0.44 2.98 2 21.9 2.0 545 5 -4 2 42.746 85.491 0.441 2.97 2 52.9 11.5 546 -6 4 2 42.746 85.493 0.441 2.97 2 55.0 12.4 547 5 2 3 42.779 85.558 0.441 2.97 2 8.0 0.3 548 -1 5 0 42.816 85.631 0.441 2.97 2 20.5 1.7 549 -2 -3 5 43.081 86.162 0.443 2.95 2 47.5 9.2 550 -4 3 5 43.097 86.193 0.443 2.95 2 19.5 1.5 551 4 -1 5 43.131 86.261 0.444 2.94 2 6.3 0.2 552 8 -1 1 43.169 86.337 0.444 2.94 2 2.7 0.0 553 -8 0 3 43.191 86.383 0.444 2.94 2 3.8 0.1 554 -7 -2 1 43.199 86.398 0.444 2.94 2 15.9 1.0 555 6 1 3 43.246 86.492 0.445 2.94 2 10.6 0.5 556 -2 5 1 43.291 86.582 0.445 2.93 2 0.7 0.0 557 -6 2 5 43.306 86.611 0.445 2.93 2 1.1 0.0 558 1 -5 1 43.356 86.711 0.446 2.93 2 23.0 2.1 559 -3 5 0 43.378 86.756 0.446 2.93 2 20.3 1.7 560 4 0 5 43.421 86.841 0.446 2.92 2 54.5 12.0 561 2 -5 1 43.436 86.871 0.446 2.92 2 22.6 2.1 562 -2 4 4 43.481 86.961 0.447 2.92 2 25.4 2.6 563 0 -4 4 43.496 86.991 0.447 2.92 2 36.4 5.3 564 6 -4 1 43.559 87.119 0.447 2.91 2 20.6 1.7 565 -1 5 1 43.611 87.223 0.448 2.91 2 11.2 0.5 566 -3 4 4 43.627 87.254 0.448 2.91 2 63.8 16.3 567 1 -4 4 43.638 87.277 0.448 2.91 2 67.1 18.0 568 4 2 4 43.643 87.287 0.448 2.91 2 31.2 3.9 569 6 2 2 43.653 87.305 0.448 2.91 2 80.5 25.9 570 -2 2 6 43.662 87.324 0.448 2.91 2 47.3 9.0 571 -7 -2 2 43.669 87.339 0.448 2.91 2 85.0 28.9 572 4 -4 3 43.67 87.34 0.448 2.91 2 23.2 2.2 573 -6 -2 4 43.671 87.343 0.448 2.91 2 27.9 3.1 574 -1 -2 6 43.673 87.346 0.448 2.91 2 57.0 13.0 575 1 1 6 43.699 87.399 0.448 2.9 2 5.0 0.1 576 5 1 4 43.707 87.413 0.449 2.9 2 57.6 13.3 577 -4 -1 6 43.72 87.441 0.449 2.9 2 1.0 0.0 578 -7 -1 4 43.734 87.467 0.449 2.9 2 59.2 14.0 579 -8 2 3 43.738 87.475 0.449 2.9 2 42.4 7.2 580 0 5 0 43.738 87.477 0.449 2.9 2 37.6 5.6 581 -3 5 1 43.773 87.546 0.449 2.9 2 21.2 1.8 582 -6 -1 5 43.795 87.591 0.449 2.9 2 13.7 0.8 583 0 3 5 43.857 87.714 0.45 2.89 2 19.6 1.5 584 2 -3 5 43.907 87.813 0.45 2.89 2 9.5 0.4 585 -3 2 6 43.937 87.875 0.45 2.89 2 73.2 21.3 586 0 -2 6 43.943 87.886 0.45 2.89 2 74.2 21.9 587 7 2 0 44.063 88.126 0.451 2.88 2 39.4 6.1 588 -3 -4 3 44.071 88.142 0.451 2.88 2 1.1 0.0 589 0 -5 1 44.078 88.155 0.452 2.88 2 18.7 1.4 590 -4 -4 1 44.123 88.247 0.452 2.88 2 30.3 3.6 591 -1 4 4 44.136 88.272 0.452 2.88 2 110.6 48.4 592 -1 -4 4 44.155 88.309 0.452 2.87 2 107.1 45.3 593 -1 2 6 44.188 88.376 0.452 2.87 2 7.9 0.2 594 -8 -1 1 44.202 88.404 0.453 2.87 2 3.6 0.1 595 -2 -2 6 44.205 88.41 0.453 2.87 2 9.9 0.4 596 8 0 1 44.255 88.509 0.453 2.87 2 27.4 3.0 597 8 -2 1 44.276 88.552 0.453 2.87 2 14.1 0.8 598 3 -5 1 44.318 88.635 0.453 2.87 2 2.2 0.0 599 2 0 6 44.348 88.695 0.454 2.86 2 17.8 1.3 600 -5 0 6 44.367 88.735 0.454 2.86 2 28.1 3.1 601 -5 -2 5 44.405 88.809 0.454 2.86 2 42.1 7.0 602 4 4 0 44.518 89.037 0.455 2.85 2 17.8 1.2 603 7 1 2 44.521 89.043 0.455 2.85 2 41.8 6.9 604 2 -1 6 44.521 89.043 0.455 2.85 2 28.0 3.1 605 -5 1 6 44.534 89.068 0.455 2.85 2 34.1 4.6 606 -8 -1 2 44.538 89.075 0.455 2.85 2 36.1 5.1 607 -4 4 4 44.575 89.15 0.456 2.85 2 103.9 42.4 608 2 -4 4 44.582 89.165 0.456 2.85 2 100.2 39.4 609 -6 -3 1 44.662 89.323 0.456 2.85 2 14.7 0.8 610 0 5 1 44.733 89.466 0.457 2.84 2 31.5 3.9 611 -8 3 1 44.769 89.538 0.457 2.84 2 13.8 0.7 612 4 3 3 44.779 89.558 0.457 2.84 2 29.3 3.4 613 -4 5 0 44.861 89.723 0.458 2.84 2 25.0 2.4 614 -3 -3 5 44.879 89.758 0.458 2.83 2 30.8 3.7 615 6 -3 3 44.881 89.761 0.458 2.83 2 32.1 4.0 616 -5 3 5 44.911 89.822 0.458 2.83 2 52.3 10.6 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 4.796 9.593 9.21219 135.6 5.6 5.7 5.6 2 0 0 1 6.192 12.384 7.14163 260.2 10.8 10.9 5.6 3 0 1 0 7.948 15.896 5.5707 181.6 7.5 7.6 5.6 4 2 0 0 9.627 19.254 4.6061 36.6 1.5 1.5 5.6 5 -1 1 1 10.105 20.211 4.39005 67.8 2.8 2.8 5.6 6 0 1 1 10.288 20.576 4.31301 205.4 8.5 8.6 5.6 7 -2 1 0 11.22 22.44 3.95883 730.4 30.2 30.4 5.6 8 -2 1 1 12.061 24.122 3.68645 94.1 3.9 3.9 5.6 9 2 0 1 12.463 24.926 3.56923 172.5 7.1 7.2 5.6 10 1 1 1 12.519 25.039 3.55346 47.1 1.9 2.0 5.6 11 2 -1 1 13.604 27.208 3.27486 181.1 7.5 7.5 5.6 12 2 1 0 13.727 27.455 3.24598 80.4 3.3 3.3 5.6 13 3 0 0 14.528 29.055 3.07073 939.9 38.9 38.9 5.6 14 -1 1 2 14.577 29.154 3.06058 456.3 18.9 18.9 5.6 15 -3 0 1 14.665 29.33 3.04256 82.9 3.4 3.4 5.6 16 -1 -1 2 15.115 30.23 2.95397 2418.9 100.0 100.0 5.6 17 -3 1 1 15.4 30.799 2.90071 48.7 2.0 2.0 5.6 18 -1 2 0 15.812 31.623 2.82697 169.8 7.0 7.0 5.6 19 0 2 0 16.054 32.108 2.78535 263.8 10.9 10.9 5.6 20 -2 2 0 17.052 34.104 2.62678 492.5 20.4 20.3 5.7 21 1 1 2 17.106 34.212 2.61874 91.5 3.8 3.8 5.7 22 -3 0 2 17.31 34.62 2.58881 105.5 4.4 4.3 5.7 23 1 2 0 17.726 35.452 2.52997 46.0 1.9 1.9 5.7 24 3 1 0 18.038 36.076 2.48757 645.2 26.7 26.5 5.7 25 -4 0 1 19.328 38.656 2.32728 27.5 1.1 1.1 5.7 26 4 0 0 19.54 39.08 2.30305 162.2 6.7 6.7 5.7 27 0 -2 2 20.13 40.26 2.23822 232.5 9.6 9.5 5.7 28 1 -2 2 20.547 41.093 2.19473 446.6 18.5 18.3 5.7 29 -4 1 2 21.426 42.853 2.10859 52.3 2.2 2.1 5.7 30 -3 2 2 22.129 44.258 2.04483 127.6 5.3 5.2 5.7 31 1 2 2 22.849 45.698 1.98372 121.7 5.0 5.0 5.7 32 -4 2 0 22.901 45.803 1.97942 103.3 4.3 4.2 5.7 33 -1 3 0 23.984 47.968 1.895 34.7 1.4 1.4 5.7 34 3 1 2 24.015 48.03 1.89269 648.7 26.8 26.3 5.7 35 -5 1 0 24.414 48.828 1.86361 191.4 7.9 7.8 5.7 36 0 3 0 24.508 49.016 1.8569 39.8 1.6 1.6 5.7 37 5 0 0 24.713 49.426 1.84244 67.4 2.8 2.7 5.7 38 1 -3 1 24.874 49.747 1.83131 43.0 1.8 1.7 5.7 39 -1 0 4 25.042 50.085 1.81975 512.7 21.2 20.8 5.7 40 -5 1 2 25.459 50.918 1.79192 118.8 4.9 4.8 5.8 41 -3 -2 2 25.704 51.408 1.77596 201.0 8.3 8.1 5.8 42 -3 3 0 26.095 52.19 1.75119 43.8 1.8 1.8 5.8 43 -2 -2 3 26.552 53.103 1.7232 54.5 2.3 2.2 5.8 44 -5 2 0 26.931 53.862 1.70072 77.8 3.2 3.1 5.8 45 -1 3 2 27.39 54.78 1.67435 435.2 18.0 17.5 5.8 46 5 1 0 27.762 55.525 1.65365 97.8 4.0 3.9 5.8 47 -5 2 2 28.066 56.132 1.63719 218.9 9.0 8.8 5.8 48 4 2 0 28.334 56.667 1.62299 82.5 3.4 3.3 5.8 49 -3 3 2 28.381 56.762 1.6205 26.1 1.1 1.0 5.8 50 2 3 0 28.503 57.006 1.61415 30.1 1.2 1.2 5.8 51 -4 -2 2 29.288 58.575 1.57459 151.2 6.3 6.1 5.8 52 -4 0 4 29.481 58.962 1.56519 246.4 10.2 9.9 5.8 53 -6 1 0 29.544 59.087 1.56216 69.2 2.9 2.8 5.8 54 -4 1 4 29.83 59.66 1.54853 57.9 2.4 2.3 5.8 55 -6 1 2 30.007 60.013 1.54025 131.0 5.4 5.2 5.8 56 0 -2 4 30.229 60.457 1.52999 115.0 4.8 4.6 5.8 57 -4 3 2 30.268 60.537 1.52817 125.2 5.2 5.0 5.8 58 -1 -2 4 30.378 60.756 1.52319 71.1 2.9 2.8 5.8 59 5 0 2 30.408 60.817 1.52181 78.4 3.2 3.1 5.8 60 -3 2 4 30.992 61.985 1.49591 114.7 4.7 4.6 5.8 61 -2 -2 4 31.434 62.869 1.47699 49.2 2.0 2.0 5.9 62 -4 -1 4 31.641 63.281 1.46834 98.2 4.1 3.9 5.9 63 3 3 0 31.726 63.451 1.46482 80.3 3.3 3.2 5.9 64 -5 3 0 31.799 63.597 1.46181 45.2 1.9 1.8 5.9 65 5 -2 2 32.073 64.147 1.45061 118.0 4.9 4.7 5.9 66 3 0 4 32.64 65.28 1.42814 35.8 1.5 1.4 5.9 67 2 3 2 32.902 65.803 1.41804 30.1 1.2 1.2 5.9 68 -2 4 0 33.021 66.043 1.41349 87.2 3.6 3.5 5.9 69 6 1 0 33.117 66.234 1.40987 39.4 1.6 1.6 5.9 70 1 2 4 33.331 66.662 1.40184 38.4 1.6 1.5 5.9 71 0 4 0 33.58 67.159 1.39267 113.7 4.7 4.5 5.9 72 -3 4 0 34.048 68.096 1.37578 84.0 3.5 3.3 5.9 73 -5 2 4 35.102 70.203 1.33955 43.8 1.8 1.7 5.9 74 4 3 0 35.626 71.253 1.32238 32.6 1.3 1.3 5.9 75 -6 3 0 35.712 71.425 1.31961 38.3 1.6 1.5 5.9 76 0 -3 4 35.94 71.879 1.31238 44.9 1.9 1.8 5.9 77 4 -1 4 36.265 72.529 1.30221 115.9 4.8 4.5 5.9 78 -7 2 2 36.676 73.352 1.28963 30.1 1.2 1.2 6.0 79 2 4 0 37.512 75.023 1.26499 24.7 1.0 1.0 6.0 80 5 2 2 38.256 76.513 1.24403 77.3 3.2 3.0 6.0 81 -6 2 4 38.315 76.631 1.24241 31.9 1.3 1.2 6.0 82 4 1 4 38.994 77.988 1.22414 34.2 1.4 1.3 6.0 83 3 2 4 39.478 78.955 1.21156 41.4 1.7 1.6 6.0 84 1 3 4 39.623 79.247 1.20783 25.2 1.0 1.0 6.0 85 6 -3 2 40.527 81.054 1.18539 114.3 4.7 4.4 6.1 86 -1 1 6 40.758 81.516 1.17985 89.1 3.7 3.4 6.1 87 -8 1 0 40.957 81.914 1.17512 35.2 1.5 1.4 6.1 88 7 -2 2 41.857 83.715 1.15436 38.3 1.6 1.5 6.1 89 -6 4 0 41.951 83.902 1.15226 56.0 2.3 2.1 6.1 90 8 0 0 41.984 83.968 1.15152 57.1 2.4 2.2 6.1 91 -4 1 6 42.389 84.777 1.14259 42.8 1.8 1.6 6.1 92 -4 -3 4 42.471 84.942 1.14079 76.1 3.1 2.9 6.1 93 -6 3 4 42.526 85.052 1.13959 50.4 2.1 1.9 6.1 94 -6 4 2 42.746 85.493 1.13484 25.8 1.1 1.0 6.1 95 6 2 2 43.653 87.305 1.11589 120.2 5.0 4.6 6.2 96 -7 -1 4 43.734 87.467 1.11424 40.1 1.7 1.5 6.2 97 0 -2 6 43.943 87.886 1.11 43.2 1.8 1.6 6.2 98 -1 4 4 44.136 88.272 1.10614 97.4 4.0 3.7 6.2 99 -4 4 4 44.575 89.15 1.09751 81.8 3.4 3.1 6.2 Reference: Chichagov A.V. et al. Information-Calculating System on Crystal Structure Data of Minerals (MINCRYST) - Kristallographiya, v.35, n.3, 1990, p.610-616 (in Russian) |