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 *** *********************** COQUIMBITE 1, f-coquimbite (Fe,Al)(2)[SO(4)](3).9H(2)O Hexagonal P 3(-)1c Z = 4 R =0.072 NR =625 22 .3 .1989 Ref.Str.: J.H.Fang, P.D.Robinson (1970) * Amer. Mineral., 55, 1534-1540 Ref.Composition & Lattice: C.Giacovazzo, S.Menchetti, F.Scordari (1970) * Atti Accad. Naz. Lincei, 49, 129-140 Initial data from BDM-file Lattice parameters (cub. angs.,degr.): a = 10.916 alpha = 90.0 b = 10.916 beta = 90.0 c = 17.06 gamma = 120.0 Unit cell volume (cub. angs.) = 1760.5 Molar volume ( cub.cm/mol.) = 265.1 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 Al = 0.9 , Fe = 0.1 2 0.3333 0.6667 0.25 0.0 Fe = 1.00 3 0.6667 0.3333 0.0025 0.0 Fe = 1.00 4 0.2444 0.4146 0.1232 0.0 S = 1.00 5 0.3187 0.3451 0.0909 0.0 O = 1.00 6 0.1081 0.3106 0.1548 0.0 O = 1.00 7 0.2197 0.4946 0.0597 0.0 O = 1.00 8 0.3349 0.5158 0.1838 0.0 O = 1.00 9 0.1645 0.0698 0.0622 0.0 O = 1.00 10 0.4485 0.1153 0.2101 0.0 O = 1.00 11 0.572 0.1616 0.072 0.0 O = 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 0.3333 0.6667 0.25 3 3 0.6667 0.3333 0.0025 4 4 0.2444 0.4146 0.1232 5 5 0.3187 0.3451 0.0909 6 6 0.1081 0.3106 0.1548 7 7 0.2197 0.4946 0.0597 8 8 0.3349 0.5158 0.1838 9 9 0.1645 0.0698 0.0622 10 10 0.4485 0.1153 0.2101 11 11 0.572 0.1616 0.072 12 4 0.5854 0.8298 0.1232 13 4 0.1702 0.7556 0.1232 14 5 0.6549 0.9736 0.0909 15 5 0.0264 0.6813 0.0909 16 6 0.6894 0.7975 0.1548 17 6 0.2025 0.8919 0.1548 18 7 0.5054 0.7251 0.0597 19 7 0.2749 0.7803 0.0597 20 8 0.4842 0.8191 0.1838 21 8 0.1809 0.6651 0.1838 22 9 0.9302 0.0947 0.0622 23 9 0.9053 0.8355 0.0622 24 10 0.8847 0.3332 0.2101 25 10 0.6668 0.5515 0.2101 26 11 0.8384 0.4104 0.072 27 11 0.5896 0.428 0.072 28 1 0.0 0.0 0.5 29 2 0.6667 0.3333 0.75 30 3 0.3333 0.6667 0.5025 31 4 0.4146 0.2444 0.6232 32 5 0.3451 0.3187 0.5909 33 6 0.3106 0.1081 0.6548 34 7 0.4946 0.2197 0.5597 35 8 0.5158 0.3349 0.6838 36 9 0.0698 0.1645 0.5622 37 10 0.1153 0.4485 0.7101 38 11 0.1616 0.572 0.572 39 4 0.8298 0.5854 0.6232 40 4 0.7556 0.1702 0.6232 41 5 0.9736 0.6549 0.5909 42 5 0.6813 0.0264 0.5909 43 6 0.7975 0.6894 0.6548 44 6 0.8919 0.2025 0.6548 45 7 0.7251 0.5054 0.5597 46 7 0.7803 0.2749 0.5597 47 8 0.8191 0.4842 0.6838 48 8 0.6651 0.1809 0.6838 49 9 0.0947 0.9302 0.5622 50 9 0.8355 0.9053 0.5622 51 10 0.3332 0.8847 0.7101 52 10 0.5515 0.6668 0.7101 53 11 0.4104 0.8384 0.572 54 11 0.428 0.5896 0.572 55 3 0.3333 0.6667 0.9975 56 4 0.7556 0.5854 0.8768 57 5 0.6813 0.6549 0.9091 58 6 0.8919 0.6894 0.8452 59 7 0.7803 0.5054 0.9403 60 8 0.6651 0.4842 0.8162 61 9 0.8355 0.9302 0.9378 62 10 0.5515 0.8847 0.7899 63 11 0.428 0.8384 0.928 64 4 0.4146 0.1702 0.8768 65 4 0.8298 0.2444 0.8768 66 5 0.3451 0.0264 0.9091 67 5 0.9736 0.3187 0.9091 68 6 0.3106 0.2025 0.8452 69 6 0.7975 0.1081 0.8452 70 7 0.4946 0.2749 0.9403 71 7 0.7251 0.2197 0.9403 72 8 0.5158 0.1809 0.8162 73 8 0.8191 0.3349 0.8162 74 9 0.0698 0.9053 0.9378 75 9 0.0947 0.1645 0.9378 76 10 0.1153 0.6668 0.7899 77 10 0.3332 0.4485 0.7899 78 11 0.1616 0.5896 0.928 79 11 0.4104 0.572 0.928 80 3 0.6667 0.3333 0.4975 81 4 0.5854 0.7556 0.3768 82 5 0.6549 0.6813 0.4091 83 6 0.6894 0.8919 0.3452 84 7 0.5054 0.7803 0.4403 85 8 0.4842 0.6651 0.3162 86 9 0.9302 0.8355 0.4378 87 10 0.8847 0.5515 0.2899 88 11 0.8384 0.428 0.428 89 4 0.1702 0.4146 0.3768 90 4 0.2444 0.8298 0.3768 91 5 0.0264 0.3451 0.4091 92 5 0.3187 0.9736 0.4091 93 6 0.2025 0.3106 0.3452 94 6 0.1081 0.7975 0.3452 95 7 0.2749 0.4946 0.4403 96 7 0.2197 0.7251 0.4403 97 8 0.1809 0.5158 0.3162 98 8 0.3349 0.8191 0.3162 99 9 0.9053 0.0698 0.4378 100 9 0.1645 0.0947 0.4378 101 10 0.6668 0.1153 0.2899 102 10 0.4485 0.3332 0.2899 103 11 0.5896 0.1616 0.428 104 11 0.572 0.4104 0.428 X-ray density (g/cm cub.) = 2.0 MU (1/cm) = 149.677 Mass attenuation coefficient (cm**2/g) = 74.755 Selected interatomic distances (cation-anion,anion-anion): NoP Atom Rad.sph. C.N. Distance NoP N. (angs.) (angs.) 1 Al ,Fe 2.592 6 1.8875 9 1.8875 9 1.8875 9 1.8875 9 1.8875 9 1.8875 9 2 Fe 2.592 6 2.0041 8 2.004 8 2.0039 8 2.0041 8 2.004 8 2.0039 8 3 Fe 2.592 6 2.0126 11 2.0126 11 2.0126 11 1.9654 7 1.9654 7 1.9653 7 4 S 1.98 4 1.4671 5 1.4505 6 1.4981 7 1.4744 8 5 O 3.264 5 2.3978 6 2.4245 7 2.3845 8 2.6544 9 2.6443 11 6 O 3.264 5 2.3978 5 2.3882 7 2.4178 8 2.6916 9 2.7385 10 7 O 3.264 8 2.4245 5 2.3882 6 2.4138 8 2.8653 7 2.8653 7 2.9856 8 2.6803 11 2.8872 11 8 O 3.264 8 2.3845 5 2.4178 6 2.4138 7 2.9856 7 2.8673 8 2.8673 8 2.7853 8 2.8156 8 9 O 3.264 6 2.6544 5 2.6916 6 2.7037 9 2.7037 9 2.6345 9 2.6346 9 10 O 3.264 4 2.6348 11 2.7385 6 2.7445 10 2.7405 10 11 O 3.264 6 2.6348 10 2.6443 5 2.8168 11 2.8168 11 2.8874 7 2.6801 7 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 4.674 9.347 0.053 298.26 6 98.3 557.6 2 0 0 2 5.181 10.362 0.059 242.28 2 131.5 270.2 3 1 0 1 5.345 10.69 0.06 227.5 12 133.0 1558.6 4 1 0 2 6.986 13.972 0.079 132.23 12 39.4 79.7 5 1 1 0 8.113 16.226 0.092 97.47 6 149.5 421.9 6 1 0 3 9.095 18.19 0.103 77.11 12 30.5 27.7 7 2 0 0 9.379 18.758 0.106 72.39 6 128.5 231.4 8 1 1 -2 9.645 19.29 0.109 68.32 6 52.5 36.4 9 1 1 2 9.645 19.29 0.109 68.32 6 174.4 402.4 10 2 0 1 9.736 19.471 0.11 67.02 12 68.4 121.3 11 0 0 4 10.405 20.81 0.117 58.41 2 104.9 41.5 12 2 0 2 10.737 21.475 0.121 54.72 12 9.4 1.9 13 1 0 4 11.428 22.856 0.129 48.06 12 37.4 26.0 14 2 0 3 12.234 24.468 0.138 41.67 12 157.2 398.5 15 2 1 0 12.449 24.899 0.14 40.17 12 71.0 78.4 16 2 1 -1 12.724 25.448 0.143 38.36 12 115.8 199.1 17 2 1 1 12.724 25.448 0.143 38.36 12 0.2 0.0 18 1 1 -4 13.25 26.501 0.149 35.22 6 132.6 119.8 19 1 1 4 13.25 26.501 0.149 35.22 6 278.2 527.6 20 2 1 -2 13.517 27.033 0.152 33.76 12 18.5 4.5 21 2 1 2 13.517 27.033 0.152 33.76 12 42.5 23.6 22 1 0 5 13.887 27.774 0.156 31.88 12 55.9 38.6 23 2 0 4 14.079 28.158 0.158 30.97 12 41.9 21.1 24 3 0 0 14.149 28.298 0.159 30.64 6 47.8 13.5 25 3 0 1 14.393 28.787 0.161 29.54 12 115.1 151.6 26 2 1 -3 14.75 29.5 0.165 28.04 12 149.8 243.7 27 2 1 3 14.75 29.5 0.165 28.04 12 29.3 9.3 28 3 0 2 15.105 30.21 0.169 26.64 12 57.6 34.2 29 0 0 6 15.718 31.437 0.176 24.46 2 63.3 6.3 30 2 0 5 16.166 32.333 0.181 23.02 12 137.8 169.3 31 3 0 3 16.228 32.456 0.181 22.83 12 199.4 351.4 32 2 1 -4 16.334 32.668 0.183 22.51 12 111.4 108.1 33 2 1 4 16.334 32.668 0.183 22.51 12 88.5 68.3 34 2 2 0 16.395 32.79 0.183 22.33 6 46.1 9.2 35 1 0 6 16.433 32.866 0.184 22.22 12 1.9 0.0 36 3 1 0 17.085 34.169 0.191 20.42 12 34.6 9.5 37 2 2 -2 17.239 34.477 0.192 20.02 6 52.0 10.5 38 2 2 2 17.239 34.477 0.192 20.02 6 1.4 0.0 39 3 1 -1 17.291 34.583 0.193 19.89 12 30.6 7.2 40 3 1 1 17.291 34.583 0.193 19.89 12 14.3 1.6 41 3 0 4 17.693 35.387 0.197 18.92 12 151.4 167.9 42 1 1 -6 17.786 35.572 0.198 18.7 6 116.9 49.5 43 1 1 6 17.786 35.572 0.198 18.7 6 37.7 5.2 44 3 1 -2 17.899 35.799 0.2 18.44 12 30.0 6.4 45 3 1 2 17.899 35.799 0.2 18.44 12 56.3 22.6 46 2 1 -5 18.189 36.378 0.203 17.8 12 40.8 11.5 47 2 1 5 18.189 36.378 0.203 17.8 12 10.8 0.8 48 2 0 6 18.43 36.86 0.205 17.3 12 31.8 6.8 49 3 1 -3 18.875 37.75 0.21 16.41 12 85.3 46.2 50 3 1 3 18.875 37.75 0.21 16.41 12 63.0 25.2 51 4 0 0 19.021 38.043 0.212 16.13 6 77.3 18.7 52 1 0 7 19.05 38.1 0.212 16.08 12 26.6 4.4 53 4 0 1 19.21 38.42 0.214 15.79 12 42.5 11.0 54 3 0 5 19.435 38.871 0.216 15.38 12 65.1 25.2 55 2 2 -4 19.578 39.156 0.218 15.14 6 199.3 116.4 56 2 2 4 19.578 39.156 0.218 15.14 6 32.6 3.1 57 4 0 2 19.767 39.535 0.22 14.82 12 22.0 2.8 58 3 1 -4 20.173 40.346 0.224 14.16 12 33.8 6.3 59 3 1 4 20.173 40.346 0.224 14.16 12 31.6 5.5 60 2 1 -6 20.256 40.512 0.225 14.03 12 32.6 5.8 61 2 1 6 20.256 40.512 0.225 14.03 12 35.6 6.9 62 4 0 3 20.668 41.336 0.229 13.42 12 10.4 0.6 63 3 2 0 20.804 41.607 0.231 13.22 12 58.0 17.2 64 2 0 7 20.83 41.66 0.231 13.18 12 19.8 2.0 65 3 2 -1 20.979 41.958 0.232 12.98 12 29.2 4.3 66 3 2 1 20.979 41.958 0.232 12.98 12 59.1 17.5 67 0 0 8 21.175 42.349 0.234 12.71 2 14.0 0.2 68 3 0 6 21.401 42.801 0.237 12.41 12 29.8 4.3 69 3 2 -2 21.498 42.996 0.238 12.28 12 51.3 12.5 70 3 2 2 21.498 42.996 0.238 12.28 12 8.2 0.3 71 1 0 8 21.733 43.467 0.24 11.99 12 23.4 2.5 72 3 1 -5 21.747 43.494 0.241 11.97 12 95.5 42.3 73 3 1 5 21.747 43.494 0.241 11.97 12 42.9 8.5 74 4 0 4 21.877 43.754 0.242 11.81 12 28.7 3.8 75 4 1 0 21.925 43.85 0.242 11.75 12 86.1 33.7 76 4 1 -1 22.093 44.186 0.244 11.55 12 57.3 14.7 77 4 1 1 22.093 44.186 0.244 11.55 12 13.2 0.8 78 3 2 -3 22.341 44.682 0.247 11.27 12 34.5 5.2 79 3 2 3 22.341 44.682 0.247 11.27 12 6.8 0.2 80 2 1 -7 22.494 44.987 0.248 11.09 12 61.1 16.1 81 2 1 7 22.494 44.987 0.248 11.09 12 7.4 0.2 82 4 1 -2 22.591 45.183 0.249 10.99 12 52.1 11.5 83 4 1 2 22.591 45.183 0.249 10.99 12 24.2 2.5 84 1 1 -8 22.818 45.636 0.252 10.74 6 84.1 14.7 85 1 1 8 22.818 45.636 0.252 10.74 6 2.6 0.0 86 2 2 -6 23.031 46.062 0.254 10.52 6 183.4 68.5 87 2 2 6 23.031 46.062 0.254 10.52 6 82.5 13.9 88 2 0 8 23.345 46.69 0.257 10.2 12 80.7 25.7 89 4 0 5 23.358 46.716 0.257 10.19 12 50.1 9.9 90 4 1 -3 23.403 46.807 0.258 10.14 12 0.0 0.0 91 4 1 3 23.403 46.807 0.258 10.14 12 133.5 70.0 92 3 2 -4 23.481 46.962 0.259 10.07 12 19.5 1.5 93 3 2 4 23.481 46.962 0.259 10.07 12 41.7 6.8 94 3 0 7 23.55 47.101 0.259 10.0 12 40.7 6.4 95 3 1 -6 23.555 47.109 0.259 10.0 12 29.0 3.3 96 3 1 6 23.555 47.109 0.259 10.0 12 55.8 12.0 97 5 0 0 24.042 48.084 0.264 9.54 6 23.6 1.0 98 5 0 1 24.198 48.397 0.266 9.4 12 3.2 0.0 99 1 0 9 24.485 48.969 0.269 9.15 12 63.4 14.3 100 4 1 -4 24.505 49.01 0.269 9.14 12 181.6 116.7 101 4 1 4 24.505 49.01 0.269 9.14 12 109.4 42.3 102 5 0 2 24.664 49.327 0.271 9.0 12 30.4 3.2 103 2 1 -8 24.876 49.751 0.273 8.83 12 51.8 9.2 104 2 1 8 24.876 49.751 0.273 8.83 12 16.9 1.0 105 3 2 -5 24.888 49.776 0.273 8.82 12 15.1 0.8 106 3 2 5 24.888 49.776 0.273 8.82 12 17.1 1.0 107 3 3 0 25.049 50.097 0.275 8.69 6 189.9 60.7 108 4 0 6 25.075 50.151 0.275 8.67 12 14.1 0.7 109 5 0 3 25.425 50.85 0.279 8.4 12 4.6 0.1 110 4 2 0 25.541 51.082 0.28 8.31 12 18.3 1.1 111 3 1 -7 25.563 51.127 0.28 8.3 12 38.5 4.8 112 3 1 7 25.563 51.127 0.28 8.3 12 65.0 13.6 113 3 3 -2 25.652 51.305 0.281 8.23 6 159.7 40.6 114 3 3 2 25.652 51.305 0.281 8.23 6 132.9 28.1 115 4 2 -1 25.691 51.381 0.281 8.2 12 28.2 2.5 116 4 2 1 25.691 51.381 0.281 8.2 12 71.6 16.3 117 3 0 8 25.858 51.717 0.283 8.08 12 135.7 57.6 118 4 1 -5 25.87 51.74 0.283 8.08 12 59.9 11.2 119 4 1 5 25.87 51.74 0.283 8.08 12 135.0 57.0 120 2 0 9 25.965 51.93 0.284 8.01 12 45.9 6.5 121 4 2 -2 26.136 52.273 0.286 7.89 12 35.7 3.9 122 4 2 2 26.136 52.273 0.286 7.89 12 33.2 3.4 123 5 0 4 26.464 52.929 0.289 7.67 12 99.2 29.2 124 3 2 -6 26.532 53.063 0.29 7.62 12 96.2 27.3 125 3 2 6 26.532 53.063 0.29 7.62 12 34.6 3.5 126 0 0 10 26.841 53.682 0.293 7.43 2 35.8 0.6 127 4 2 -3 26.868 53.735 0.293 7.41 12 26.7 2.0 128 4 2 3 26.868 53.735 0.293 7.41 12 44.3 5.6 129 5 1 0 26.979 53.958 0.294 7.34 12 71.4 14.5 130 4 0 7 27.001 54.002 0.295 7.33 12 84.5 20.3 131 5 1 -1 27.123 54.247 0.296 7.25 12 27.9 2.2 132 5 1 1 27.123 54.247 0.296 7.25 12 16.4 0.8 133 2 2 -8 27.285 54.569 0.298 7.15 6 155.2 33.4 134 2 2 8 27.285 54.569 0.298 7.15 6 293.1 118.9 135 1 0 10 27.31 54.62 0.298 7.14 12 39.0 4.2 136 2 1 -9 27.387 54.775 0.299 7.09 12 80.0 17.6 137 2 1 9 27.387 54.775 0.299 7.09 12 52.7 7.6 138 3 3 -4 27.406 54.813 0.299 7.08 6 92.7 11.8 139 3 3 4 27.406 54.813 0.299 7.08 6 13.4 0.2 140 4 1 -6 27.472 54.944 0.299 7.04 12 74.4 15.1 141 4 1 6 27.472 54.944 0.299 7.04 12 102.3 28.5 142 5 1 -2 27.553 55.106 0.3 7.0 12 54.1 7.9 143 5 1 2 27.553 55.106 0.3 7.0 12 76.7 15.9 144 3 1 -8 27.749 55.498 0.302 6.88 12 72.4 14.0 145 3 1 8 27.749 55.498 0.302 6.88 12 52.3 7.3 146 5 0 5 27.76 55.52 0.302 6.88 12 6.6 0.1 147 4 2 -4 27.869 55.738 0.303 6.82 12 61.4 9.9 148 4 2 4 27.869 55.738 0.303 6.82 12 9.1 0.2 149 1 1 -10 28.233 56.466 0.307 6.62 6 21.6 0.6 150 1 1 10 28.233 56.466 0.307 6.62 6 10.3 0.1 151 5 1 -3 28.259 56.518 0.307 6.61 12 72.1 13.3 152 5 1 3 28.259 56.518 0.307 6.61 12 44.9 5.2 153 3 0 9 28.308 56.617 0.308 6.58 12 2.9 0.0 154 3 2 -7 28.388 56.775 0.309 6.54 12 69.7 12.3 155 3 2 7 28.388 56.775 0.309 6.54 12 102.2 26.5 156 2 0 10 28.687 57.373 0.312 6.39 12 25.2 1.6 157 4 0 8 29.112 58.224 0.316 6.18 12 18.9 0.9 158 4 2 -5 29.123 58.246 0.316 6.17 12 31.7 2.4 159 4 2 5 29.123 58.246 0.316 6.17 12 7.3 0.1 160 5 1 -4 29.228 58.457 0.317 6.12 12 13.2 0.4 161 5 1 4 29.228 58.457 0.317 6.12 12 38.9 3.6 162 6 0 0 29.267 58.534 0.317 6.1 6 132.1 20.6 163 4 1 -7 29.288 58.576 0.318 6.09 12 122.8 35.5 164 4 1 7 29.288 58.576 0.318 6.09 12 7.6 0.1 165 5 0 6 29.291 58.583 0.318 6.09 12 21.8 1.1 166 6 0 1 29.404 58.808 0.319 6.04 12 21.3 1.1 167 4 3 0 29.711 59.422 0.322 5.9 12 18.3 0.8 168 6 0 2 29.812 59.624 0.323 5.86 12 10.2 0.2 169 4 3 -1 29.847 59.693 0.323 5.84 12 29.2 1.9 170 4 3 1 29.847 59.693 0.323 5.84 12 4.3 0.0 171 2 1 -10 30.022 60.045 0.325 5.76 12 3.2 0.0 172 2 1 10 30.022 60.045 0.325 5.76 12 27.1 1.6 173 3 1 -9 30.095 60.19 0.325 5.73 12 6.8 0.1 174 3 1 9 30.095 60.19 0.325 5.73 12 53.8 6.4 175 3 3 -6 30.175 60.35 0.326 5.7 6 97.2 10.4 176 3 3 6 30.175 60.35 0.326 5.7 6 9.6 0.1 177 1 0 11 30.219 60.438 0.327 5.68 12 14.5 0.5 178 4 3 -2 30.251 60.502 0.327 5.67 12 41.1 3.7 179 4 3 2 30.251 60.502 0.327 5.67 12 50.0 5.5 180 3 2 -8 30.436 60.872 0.329 5.59 12 71.3 11.0 181 3 2 8 30.436 60.872 0.329 5.59 12 75.2 12.3 182 5 1 -5 30.446 60.893 0.329 5.59 12 36.7 2.9 183 5 1 5 30.446 60.893 0.329 5.59 12 11.1 0.3 184 6 0 3 30.484 60.969 0.329 5.57 12 15.7 0.5 185 5 2 0 30.587 61.174 0.33 5.53 12 121.1 31.4 186 4 2 -6 30.611 61.221 0.331 5.52 12 36.2 2.8 187 4 2 6 30.611 61.221 0.331 5.52 12 13.2 0.4 188 5 2 -1 30.72 61.44 0.332 5.48 12 58.0 7.1 189 5 2 1 30.72 61.44 0.332 5.48 12 52.4 5.8 190 3 0 10 30.893 61.786 0.333 5.41 12 98.8 20.4 191 4 3 -3 30.918 61.835 0.334 5.4 12 45.9 4.4 192 4 3 3 30.918 61.835 0.334 5.4 12 38.1 3.0 193 5 0 7 31.039 62.079 0.335 5.35 12 15.5 0.5 194 5 2 -2 31.118 62.235 0.335 5.32 12 127.6 33.6 195 5 2 2 31.118 62.235 0.335 5.32 12 15.2 0.5 196 4 1 -8 31.3 62.599 0.337 5.25 12 153.2 47.7 197 4 1 8 31.3 62.599 0.337 5.25 12 139.3 39.5 198 4 0 9 31.394 62.788 0.338 5.22 12 3.7 0.0 199 6 0 4 31.411 62.822 0.338 5.21 12 114.9 26.7 200 2 0 11 31.515 63.029 0.339 5.18 12 40.2 3.2 201 5 2 -3 31.774 63.548 0.342 5.08 12 7.6 0.1 202 5 2 3 31.774 63.548 0.342 5.08 12 0.3 0.0 203 4 3 -4 31.837 63.674 0.342 5.06 12 30.5 1.8 204 4 3 4 31.837 63.674 0.342 5.06 12 16.9 0.6 205 5 1 -6 31.897 63.794 0.343 5.04 12 63.3 7.8 206 5 1 6 31.897 63.794 0.343 5.04 12 66.9 8.7 207 2 2 -10 32.173 64.346 0.346 4.95 6 18.0 0.3 208 2 2 10 32.173 64.346 0.346 4.95 6 31.5 0.9 209 6 1 0 32.297 64.593 0.347 4.91 12 42.3 3.4 210 4 2 -7 32.316 64.632 0.347 4.9 12 85.1 13.7 211 4 2 7 32.316 64.632 0.347 4.9 12 20.1 0.8 212 6 1 -1 32.426 64.852 0.348 4.86 12 20.2 0.8 213 6 1 1 32.426 64.852 0.348 4.86 12 91.7 15.9 214 6 0 5 32.581 65.162 0.35 4.81 12 13.5 0.3 215 3 1 -10 32.594 65.187 0.35 4.81 12 36.6 2.5 216 3 1 10 32.594 65.187 0.35 4.81 12 19.6 0.7 217 3 2 -9 32.663 65.326 0.35 4.79 12 62.0 7.1 218 3 2 9 32.663 65.326 0.35 4.79 12 55.0 5.6 219 5 2 -4 32.68 65.36 0.35 4.78 12 106.8 21.1 220 5 2 4 32.68 65.36 0.35 4.78 12 114.3 24.2 221 2 1 -11 32.781 65.562 0.351 4.75 12 36.6 2.5 222 2 1 11 32.781 65.562 0.351 4.75 12 42.5 3.3 223 0 0 12 32.807 65.615 0.352 4.74 2 46.2 0.7 224 6 1 -2 32.812 65.624 0.352 4.74 12 64.0 7.5 225 6 1 2 32.812 65.624 0.352 4.74 12 65.0 7.8 226 5 0 8 32.989 65.977 0.353 4.69 12 50.4 4.6 227 4 3 -5 32.999 65.998 0.354 4.69 12 8.5 0.1 228 4 3 5 32.999 65.998 0.354 4.69 12 87.3 13.8 229 1 0 12 33.224 66.447 0.356 4.62 12 10.8 0.2 230 6 1 -3 33.45 66.9 0.358 4.55 12 7.0 0.1 231 6 1 3 33.45 66.9 0.358 4.55 12 74.2 9.7 232 4 1 -9 33.495 66.99 0.358 4.54 12 1.5 0.0 233 4 1 9 33.495 66.99 0.358 4.54 12 101.3 18.0 234 5 1 -7 33.567 67.133 0.359 4.52 12 2.6 0.0 235 5 1 7 33.567 67.133 0.359 4.52 12 39.1 2.7 236 3 0 11 33.611 67.223 0.359 4.51 12 7.6 0.1 237 3 3 -8 33.816 67.633 0.361 4.45 6 180.5 28.0 238 3 3 8 33.816 67.633 0.361 4.45 6 60.6 3.2 239 5 2 -5 33.826 67.653 0.361 4.45 12 8.0 0.1 240 5 2 5 33.826 67.653 0.361 4.45 12 24.7 1.1 241 4 0 10 33.839 67.677 0.361 4.44 12 13.8 0.3 242 6 0 6 33.982 67.963 0.363 4.4 12 66.9 7.6 243 1 1 -12 34.048 68.097 0.363 4.39 6 50.7 2.2 244 1 1 12 34.048 68.097 0.363 4.39 6 159.0 21.5 245 4 2 -8 34.226 68.453 0.365 4.34 12 26.8 1.2 246 4 2 8 34.226 68.453 0.365 4.34 12 8.5 0.1 247 6 1 -4 34.333 68.666 0.366 4.31 12 0.5 0.0 248 6 1 4 34.333 68.666 0.366 4.31 12 19.9 0.7 249 4 4 0 34.369 68.737 0.366 4.3 6 127.7 13.6 250 4 3 -6 34.391 68.782 0.367 4.3 12 5.5 0.0 251 4 3 6 34.391 68.782 0.367 4.3 12 9.8 0.2 252 2 0 12 34.457 68.914 0.367 4.28 12 0.7 0.0 253 5 3 0 34.776 69.551 0.37 4.2 12 9.5 0.1 254 7 0 0 34.776 69.551 0.37 4.2 6 10.0 0.1 255 4 4 -2 34.868 69.737 0.371 4.18 6 0.5 0.0 256 4 4 2 34.868 69.737 0.371 4.18 6 197.0 31.4 257 5 3 -1 34.9 69.8 0.371 4.17 12 18.3 0.5 258 5 3 1 34.9 69.8 0.371 4.17 12 48.6 3.8 259 7 0 1 34.9 69.8 0.371 4.17 12 74.7 9.0 260 3 2 -10 35.062 70.124 0.373 4.13 12 49.2 3.9 261 3 2 10 35.062 70.124 0.373 4.13 12 38.8 2.4 262 5 0 9 35.129 70.258 0.374 4.11 12 36.7 2.1 263 5 2 -6 35.203 70.405 0.374 4.1 12 23.1 0.8 264 5 2 6 35.203 70.405 0.374 4.1 12 70.9 8.0 265 3 1 -11 35.243 70.486 0.375 4.09 12 40.2 2.6 266 3 1 11 35.243 70.486 0.375 4.09 12 67.7 7.3 267 5 3 -2 35.273 70.545 0.375 4.08 12 10.9 0.2 268 5 3 2 35.273 70.545 0.375 4.08 12 17.0 0.5 269 7 0 2 35.273 70.545 0.375 4.08 12 10.2 0.2 270 5 1 -8 35.444 70.887 0.376 4.04 12 32.1 1.6 271 5 1 8 35.444 70.887 0.376 4.04 12 14.6 0.3 272 6 1 -5 35.453 70.907 0.377 4.04 12 94.9 14.1 273 6 1 5 35.453 70.907 0.377 4.04 12 9.7 0.1 274 6 0 7 35.602 71.204 0.378 4.01 12 1.6 0.0 275 2 1 -12 35.671 71.342 0.379 3.99 12 85.0 11.2 276 2 1 12 35.671 71.342 0.379 3.99 12 96.1 14.3 277 4 1 -10 35.867 71.734 0.38 3.95 12 121.9 22.7 278 4 1 10 35.867 71.734 0.38 3.95 12 19.2 0.6 279 5 3 -3 35.89 71.78 0.381 3.94 12 95.2 13.8 280 5 3 3 35.89 71.78 0.381 3.94 12 38.2 2.2 281 7 0 3 35.89 71.78 0.381 3.94 12 7.7 0.1 282 6 2 0 35.984 71.969 0.381 3.92 12 18.0 0.5 283 4 3 -7 36.003 72.006 0.382 3.92 12 23.2 0.8 284 4 3 7 36.003 72.006 0.382 3.92 12 70.1 7.5 285 6 2 -1 36.107 72.214 0.383 3.9 12 12.9 0.2 286 6 2 1 36.107 72.214 0.383 3.9 12 95.9 13.9 287 4 2 -9 36.333 72.665 0.385 3.85 12 12.4 0.2 288 4 2 9 36.333 72.665 0.385 3.85 12 72.9 7.9 289 1 0 13 36.341 72.683 0.385 3.85 12 6.8 0.1 290 4 4 -4 36.349 72.698 0.385 3.85 6 115.3 9.9 291 4 4 4 36.349 72.698 0.385 3.85 6 203.0 30.7 292 4 0 11 36.445 72.89 0.386 3.83 12 45.4 3.1 293 3 0 12 36.47 72.94 0.386 3.82 12 148.8 32.8 294 6 2 -2 36.474 72.949 0.386 3.82 12 16.1 0.4 295 6 2 2 36.474 72.949 0.386 3.82 12 33.3 1.6 296 5 3 -4 36.747 73.493 0.388 3.77 12 10.8 0.2 297 5 3 4 36.747 73.493 0.388 3.77 12 35.3 1.8 298 7 0 4 36.747 73.493 0.388 3.77 12 51.6 3.9 299 5 2 -7 36.799 73.599 0.389 3.76 12 15.4 0.3 300 5 2 7 36.799 73.599 0.389 3.76 12 43.0 2.7 301 6 1 -6 36.803 73.605 0.389 3.76 12 35.2 1.8 302 6 1 6 36.803 73.605 0.389 3.76 12 26.0 1.0 303 6 2 -3 37.083 74.167 0.391 3.7 12 2.0 0.0 304 6 2 3 37.083 74.167 0.391 3.7 12 65.5 6.2 305 6 0 8 37.434 74.868 0.395 3.64 12 42.0 2.5 306 5 0 10 37.456 74.911 0.395 3.64 12 14.2 0.3 307 5 1 -9 37.521 75.042 0.395 3.63 12 29.1 1.2 308 5 1 9 37.521 75.042 0.395 3.63 12 25.0 0.9 309 2 0 13 37.529 75.059 0.395 3.62 12 30.3 1.3 310 3 2 -11 37.632 75.264 0.396 3.61 12 42.6 2.5 311 3 2 11 37.632 75.264 0.396 3.61 12 8.7 0.1 312 2 2 -12 37.657 75.313 0.397 3.6 6 27.7 0.5 313 2 2 12 37.657 75.313 0.397 3.6 6 120.7 10.2 314 4 3 -8 37.827 75.655 0.398 3.57 12 9.5 0.1 315 4 3 8 37.827 75.655 0.398 3.57 12 27.3 1.0 316 5 3 -5 37.837 75.674 0.398 3.57 12 0.4 0.0 317 5 3 5 37.837 75.674 0.398 3.57 12 52.3 3.8 318 7 0 5 37.837 75.674 0.398 3.57 12 24.5 0.8 319 6 2 -4 37.93 75.86 0.399 3.56 12 29.9 1.2 320 6 2 4 37.93 75.86 0.399 3.56 12 80.5 8.9 321 7 1 0 37.964 75.928 0.399 3.55 12 79.1 8.6 322 3 1 -12 38.049 76.098 0.4 3.54 12 57.7 4.6 323 3 1 12 38.049 76.098 0.4 3.54 12 3.9 0.0 324 7 1 -1 38.084 76.169 0.4 3.53 12 65.7 5.9 325 7 1 1 38.084 76.169 0.4 3.53 12 70.9 6.9 326 3 3 -10 38.241 76.481 0.402 3.5 6 13.1 0.1 327 3 3 10 38.241 76.481 0.402 3.5 6 76.8 4.0 328 6 1 -7 38.373 76.747 0.403 3.48 12 44.8 2.7 329 6 1 7 38.373 76.747 0.403 3.48 12 63.9 5.5 330 4 1 -11 38.416 76.832 0.403 3.48 12 124.5 20.9 331 4 1 11 38.416 76.832 0.403 3.48 12 64.3 5.6 332 7 1 -2 38.445 76.889 0.404 3.47 12 31.5 1.3 333 7 1 2 38.445 76.889 0.404 3.47 12 1.3 0.0 334 5 2 -8 38.61 77.22 0.405 3.45 12 4.9 0.0 335 5 2 8 38.61 77.22 0.405 3.45 12 79.1 8.4 336 4 2 -10 38.631 77.263 0.405 3.44 12 50.9 3.5 337 4 2 10 38.631 77.263 0.405 3.44 12 8.7 0.1 338 2 1 -13 38.704 77.409 0.406 3.43 12 40.8 2.2 339 2 1 13 38.704 77.409 0.406 3.43 12 53.6 3.8 340 4 4 -6 38.767 77.534 0.406 3.42 6 72.8 3.5 341 4 4 6 38.767 77.534 0.406 3.42 6 127.1 10.7 342 6 2 -5 39.009 78.018 0.409 3.39 12 65.9 5.7 343 6 2 5 39.009 78.018 0.409 3.39 12 66.4 5.8 344 7 1 -3 39.043 78.086 0.409 3.38 12 3.4 0.0 345 7 1 3 39.043 78.086 0.409 3.38 12 74.7 7.3 346 5 3 -6 39.156 78.312 0.41 3.37 12 11.4 0.2 347 5 3 6 39.156 78.312 0.41 3.37 12 43.6 2.5 348 7 0 6 39.156 78.312 0.41 3.37 12 23.6 0.7 349 0 0 14 39.207 78.413 0.41 3.36 2 115.8 2.9 350 4 0 12 39.219 78.438 0.41 3.36 12 30.3 1.2 351 6 0 9 39.473 78.946 0.413 3.32 12 9.6 0.1 352 3 0 13 39.482 78.963 0.413 3.32 12 92.5 11.0 353 5 4 0 39.523 79.045 0.413 3.32 12 12.8 0.2 354 1 0 14 39.594 79.189 0.414 3.31 12 10.6 0.1 355 5 4 -1 39.642 79.283 0.414 3.3 12 17.3 0.4 356 5 4 1 39.642 79.283 0.414 3.3 12 71.0 6.4 357 5 1 -10 39.796 79.592 0.415 3.28 12 50.4 3.2 358 5 1 10 39.796 79.592 0.415 3.28 12 44.7 2.5 359 4 3 -9 39.86 79.721 0.416 3.27 12 33.7 1.4 360 4 3 9 39.86 79.721 0.416 3.27 12 15.3 0.3 361 7 1 -4 39.876 79.752 0.416 3.27 12 10.3 0.1 362 7 1 4 39.876 79.752 0.416 3.27 12 140.4 25.0 363 5 0 11 39.97 79.939 0.417 3.26 12 54.9 3.8 364 5 4 -2 39.998 79.996 0.417 3.25 12 0.4 0.0 365 5 4 2 39.998 79.996 0.417 3.25 12 35.9 1.6 366 6 1 -8 40.162 80.323 0.419 3.23 12 19.9 0.5 367 6 1 8 40.162 80.323 0.419 3.23 12 27.0 0.9 368 6 3 0 40.296 80.591 0.42 3.22 12 153.7 29.4 369 6 2 -6 40.317 80.633 0.42 3.22 12 19.3 0.5 370 6 2 6 40.317 80.633 0.42 3.22 12 34.2 1.5 371 1 1 -14 40.367 80.734 0.42 3.21 6 45.5 1.3 372 1 1 14 40.367 80.734 0.42 3.21 6 47.1 1.4 373 3 2 -12 40.379 80.759 0.421 3.21 12 15.3 0.3 374 3 2 12 40.379 80.759 0.421 3.21 12 3.4 0.0 375 6 3 -1 40.414 80.828 0.421 3.2 12 7.5 0.1 376 6 3 1 40.414 80.828 0.421 3.2 12 20.7 0.5 377 5 4 -3 40.59 81.18 0.422 3.18 12 22.5 0.6 378 5 4 3 40.59 81.18 0.422 3.18 12 31.7 1.2 379 5 2 -9 40.632 81.263 0.423 3.18 12 46.6 2.7 380 5 2 9 40.632 81.263 0.423 3.18 12 35.2 1.5 381 8 0 0 40.681 81.362 0.423 3.17 6 73.0 3.3 382 5 3 -7 40.699 81.397 0.423 3.17 12 47.8 2.8 383 5 3 7 40.699 81.397 0.423 3.17 12 18.0 0.4 384 7 0 7 40.699 81.397 0.423 3.17 12 27.8 1.0 385 2 0 14 40.752 81.504 0.424 3.17 12 12.7 0.2 386 6 3 -2 40.769 81.537 0.424 3.16 12 61.3 4.6 387 6 3 2 40.769 81.537 0.424 3.16 12 72.7 6.5 388 8 0 1 40.799 81.598 0.424 3.16 12 39.9 2.0 389 7 1 -5 40.941 81.882 0.425 3.14 12 29.6 1.1 390 7 1 5 40.941 81.882 0.425 3.14 12 128.3 20.0 391 3 1 -13 41.025 82.049 0.426 3.14 12 33.5 1.4 392 3 1 13 41.025 82.049 0.426 3.14 12 7.1 0.1 393 4 2 -11 41.125 82.249 0.427 3.12 12 58.0 4.1 394 4 2 11 41.125 82.249 0.427 3.12 12 55.5 3.7 395 4 1 -12 41.149 82.297 0.427 3.12 12 12.9 0.2 396 4 1 12 41.149 82.297 0.427 3.12 12 53.5 3.5 397 8 0 2 41.153 82.306 0.427 3.12 12 4.6 0.0 398 6 3 -3 41.358 82.717 0.429 3.1 12 37.3 1.7 399 6 3 3 41.358 82.717 0.429 3.1 12 29.8 1.1 400 5 4 -4 41.416 82.831 0.429 3.09 12 12.2 0.2 401 5 4 4 41.416 82.831 0.429 3.09 12 61.3 4.5 402 6 0 10 41.72 83.439 0.432 3.06 12 79.8 7.6 403 8 0 3 41.741 83.483 0.432 3.06 12 24.8 0.7 404 7 2 0 41.832 83.664 0.433 3.05 12 44.1 2.3 405 6 2 -7 41.85 83.699 0.433 3.05 12 76.4 6.9 406 6 2 7 41.85 83.699 0.433 3.05 12 26.7 0.8 407 2 1 -14 41.903 83.805 0.434 3.05 12 4.8 0.0 408 2 1 14 41.903 83.805 0.434 3.05 12 5.5 0.0 409 7 2 -1 41.949 83.899 0.434 3.04 12 78.1 7.2 410 7 2 1 41.949 83.899 0.434 3.04 12 5.4 0.0 411 4 4 -8 42.081 84.163 0.435 3.03 6 1.8 0.0 412 4 4 8 42.081 84.163 0.435 3.03 6 57.9 2.0 413 4 3 -10 42.102 84.204 0.435 3.03 12 20.7 0.5 414 4 3 10 42.102 84.204 0.435 3.03 12 4.0 0.0 415 6 1 -9 42.166 84.331 0.436 3.02 12 43.8 2.2 416 6 1 9 42.166 84.331 0.436 3.02 12 42.6 2.1 417 4 0 13 42.174 84.348 0.436 3.02 12 57.9 3.9 418 6 3 -4 42.181 84.362 0.436 3.02 12 17.6 0.4 419 6 3 4 42.181 84.362 0.436 3.02 12 69.7 5.7 420 7 1 -6 42.235 84.47 0.436 3.02 12 49.6 2.9 421 7 1 6 42.235 84.47 0.436 3.02 12 98.6 11.3 422 5 1 -11 42.274 84.547 0.437 3.01 12 41.1 2.0 423 5 1 11 42.274 84.547 0.437 3.01 12 94.4 10.4 424 7 2 -2 42.302 84.603 0.437 3.01 12 28.9 1.0 425 7 2 2 42.302 84.603 0.437 3.01 12 40.1 1.9 426 5 3 -8 42.464 84.927 0.438 3.0 12 44.2 2.3 427 5 3 8 42.464 84.927 0.438 3.0 12 25.3 0.7 428 7 0 8 42.464 84.927 0.438 3.0 12 20.2 0.5 429 5 4 -5 42.473 84.946 0.438 3.0 12 35.9 1.5 430 5 4 5 42.473 84.946 0.438 3.0 12 97.9 11.1 431 8 0 4 42.563 85.126 0.439 2.99 12 2.7 0.0 432 3 0 14 42.667 85.334 0.44 2.98 12 18.1 0.4 433 5 0 12 42.679 85.359 0.44 2.98 12 52.4 3.2 434 5 2 -10 42.866 85.732 0.442 2.96 12 16.8 0.3 435 5 2 10 42.866 85.732 0.442 2.96 12 35.6 1.5 436 7 2 -3 42.888 85.775 0.442 2.96 12 22.0 0.6 437 7 2 3 42.888 85.775 0.442 2.96 12 16.5 0.3 438 1 0 15 43.012 86.024 0.443 2.95 12 109.3 13.7 439 6 3 -5 43.236 86.472 0.445 2.94 12 11.1 0.1 440 6 3 5 43.236 86.472 0.445 2.94 12 26.1 0.8 441 3 2 -13 43.319 86.637 0.445 2.93 12 63.6 4.6 442 3 2 13 43.319 86.637 0.445 2.93 12 5.7 0.0 443 3 3 -12 43.442 86.884 0.446 2.92 6 38.0 0.8 444 3 3 12 43.442 86.884 0.446 2.92 6 122.1 8.4 445 6 2 -8 43.607 87.215 0.448 2.91 12 24.8 0.7 446 6 2 8 43.607 87.215 0.448 2.91 12 15.1 0.3 447 8 0 5 43.617 87.234 0.448 2.91 12 27.8 0.9 448 7 2 -4 43.707 87.414 0.449 2.9 12 2.4 0.0 449 7 2 4 43.707 87.414 0.449 2.9 12 27.3 0.8 450 7 1 -7 43.758 87.515 0.449 2.9 12 53.3 3.2 451 7 1 7 43.758 87.515 0.449 2.9 12 5.1 0.0 452 5 4 -6 43.761 87.521 0.449 2.9 12 3.2 0.0 453 5 4 6 43.761 87.521 0.449 2.9 12 3.0 0.0 454 2 2 -14 43.81 87.621 0.449 2.9 6 60.4 2.0 455 2 2 14 43.81 87.621 0.449 2.9 6 14.8 0.1 456 4 2 -12 43.823 87.645 0.449 2.9 12 21.4 0.5 457 4 2 12 43.823 87.645 0.449 2.9 12 43.1 2.1 458 4 1 -13 44.08 88.16 0.452 2.88 12 60.2 4.0 459 4 1 13 44.08 88.16 0.452 2.88 12 12.0 0.2 460 8 1 0 44.121 88.241 0.452 2.88 12 45.9 2.3 461 2 0 15 44.155 88.309 0.452 2.87 12 13.0 0.2 462 6 0 11 44.18 88.359 0.452 2.87 12 7.9 0.1 463 3 1 -14 44.191 88.382 0.452 2.87 12 24.9 0.7 464 3 1 14 44.191 88.382 0.452 2.87 12 51.3 2.9 465 8 1 -1 44.237 88.475 0.453 2.87 12 30.8 1.1 466 8 1 1 44.237 88.475 0.453 2.87 12 6.2 0.0 467 6 1 -10 44.389 88.779 0.454 2.86 12 66.1 4.8 468 6 1 10 44.389 88.779 0.454 2.86 12 44.4 2.2 469 5 3 -9 44.453 88.905 0.455 2.86 12 48.8 2.6 470 5 3 9 44.453 88.905 0.455 2.86 12 17.1 0.3 471 7 0 9 44.453 88.905 0.455 2.86 12 29.1 0.9 472 6 3 -6 44.522 89.044 0.455 2.85 12 3.8 0.0 473 6 3 6 44.522 89.044 0.455 2.85 12 0.2 0.0 474 4 3 -11 44.56 89.12 0.455 2.85 12 55.8 3.4 475 4 3 11 44.56 89.12 0.455 2.85 12 6.4 0.0 476 8 1 -2 44.588 89.176 0.456 2.85 12 83.0 7.6 477 8 1 2 44.588 89.176 0.456 2.85 12 49.8 2.7 478 7 2 -5 44.759 89.517 0.457 2.84 12 2.5 0.0 479 7 2 5 44.759 89.517 0.457 2.84 12 27.4 0.8 480 5 5 0 44.882 89.763 0.458 2.83 6 81.5 3.6 481 8 0 6 44.902 89.804 0.458 2.83 12 7.4 0.1 482 5 1 -12 44.964 89.928 0.459 2.83 12 3.0 0.0 483 5 1 12 44.964 89.928 0.459 2.83 12 6.8 0.1 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 4.674 9.347 9.45353 557.6 35.8 35.8 5.6 2 0 0 2 5.181 10.362 8.53 270.2 17.3 17.3 5.6 3 1 0 1 5.345 10.69 8.26886 1558.6 100.0 100.0 5.6 4 1 0 2 6.986 13.972 6.33303 79.7 5.1 5.1 5.6 5 1 1 0 8.113 16.226 5.458 421.9 27.1 27.0 5.6 6 1 0 3 9.095 18.19 4.87297 27.7 1.8 1.8 5.6 7 2 0 0 9.379 18.758 4.72677 231.4 14.9 14.8 5.6 8 1 1 2 9.645 19.29 4.59741 438.9 28.2 28.0 5.6 9 2 0 1 9.736 19.471 4.55516 121.3 7.8 7.7 5.6 10 0 0 4 10.405 20.81 4.265 41.5 2.7 2.6 5.6 11 1 0 4 11.428 22.856 3.88766 26.0 1.7 1.7 5.6 12 2 0 3 12.234 24.468 3.63501 398.5 25.6 25.3 5.6 13 2 1 0 12.449 24.899 3.5731 78.4 5.0 5.0 5.6 14 2 1 1 12.724 25.448 3.49722 199.1 12.8 12.6 5.6 15 1 1 4 13.25 26.501 3.36064 647.4 41.5 41.1 5.6 16 2 1 2 13.517 27.033 3.29564 28.1 1.8 1.8 5.6 17 1 0 5 13.887 27.774 3.20936 38.6 2.5 2.5 5.6 18 2 0 4 14.079 28.158 3.16651 21.1 1.4 1.3 5.6 19 3 0 1 14.393 28.787 3.09876 151.6 9.7 9.6 5.6 20 2 1 3 14.75 29.5 3.02545 253.1 16.2 16.0 5.6 21 3 0 2 15.105 30.21 2.95592 34.2 2.2 2.2 5.6 22 2 0 5 16.166 32.333 2.76653 169.3 10.9 10.7 5.6 23 3 0 3 16.228 32.456 2.75629 351.4 22.5 22.2 5.6 24 2 1 4 16.334 32.668 2.73894 176.4 11.3 11.1 5.6 25 3 0 4 17.693 35.387 2.53445 167.9 10.8 10.6 5.7 26 1 1 6 17.786 35.572 2.52167 54.6 3.5 3.4 5.7 27 3 1 2 17.899 35.799 2.50621 29.0 1.9 1.8 5.7 28 3 1 3 18.875 37.75 2.38104 71.4 4.6 4.5 5.7 29 4 0 0 19.021 38.043 2.36338 18.7 1.2 1.2 5.7 30 3 0 5 19.435 38.871 2.31494 25.2 1.6 1.6 5.7 31 2 2 4 19.578 39.156 2.29871 119.5 7.7 7.5 5.7 32 3 2 0 20.804 41.607 2.16879 19.3 1.2 1.2 5.7 33 3 2 1 20.979 41.958 2.15147 21.8 1.4 1.4 5.7 34 3 1 5 21.747 43.494 2.079 53.4 3.4 3.3 5.7 35 4 1 0 21.925 43.85 2.06293 33.7 2.2 2.1 5.7 36 2 1 7 22.494 44.987 2.01339 16.3 1.0 1.0 5.7 37 2 2 6 23.031 46.062 1.96887 82.3 5.3 5.1 5.7 38 2 0 8 23.345 46.69 1.94383 35.6 2.3 2.2 5.7 39 4 1 3 23.403 46.807 1.93927 70.0 4.5 4.4 5.7 40 3 1 6 23.555 47.109 1.92751 21.7 1.4 1.4 5.7 41 4 1 4 24.505 49.01 1.8571 173.3 11.1 10.8 5.7 42 3 3 0 25.049 50.097 1.81933 61.3 3.9 3.8 5.7 43 3 1 7 25.563 51.127 1.78508 19.4 1.2 1.2 5.8 44 3 3 2 25.652 51.305 1.77931 68.8 4.4 4.3 5.8 45 4 2 1 25.691 51.381 1.77683 18.8 1.2 1.2 5.8 46 3 0 8 25.858 51.717 1.7661 125.8 8.1 7.8 5.8 47 5 0 4 26.464 52.929 1.72848 29.2 1.9 1.8 5.8 48 3 2 6 26.532 53.063 1.72441 30.9 2.0 1.9 5.8 49 4 0 7 27.001 54.002 1.69664 34.8 2.2 2.1 5.8 50 2 2 8 27.285 54.569 1.68032 156.5 10.0 9.7 5.8 51 2 1 9 27.387 54.775 1.67451 37.2 2.4 2.3 5.8 52 4 1 6 27.472 54.944 1.66975 43.6 2.8 2.7 5.8 53 5 1 2 27.553 55.106 1.66524 23.9 1.5 1.5 5.8 54 3 1 8 27.749 55.498 1.65439 21.4 1.4 1.3 5.8 55 5 1 3 28.259 56.518 1.62693 18.4 1.2 1.1 5.8 56 3 2 7 28.388 56.775 1.62017 38.8 2.5 2.4 5.8 57 4 1 7 29.288 58.576 1.57458 57.4 3.7 3.5 5.8 58 3 2 8 30.436 60.872 1.52057 26.4 1.7 1.6 5.8 59 5 2 0 30.587 61.174 1.51378 34.6 2.2 2.1 5.8 60 3 0 10 30.893 61.786 1.50025 27.9 1.8 1.7 5.8 61 5 2 2 31.118 62.235 1.49049 34.0 2.2 2.1 5.8 62 4 1 8 31.3 62.599 1.4827 87.2 5.6 5.3 5.8 63 6 0 4 31.411 62.822 1.47796 26.7 1.7 1.6 5.9 64 5 1 6 31.897 63.794 1.45777 16.5 1.1 1.0 5.9 65 4 2 7 32.316 64.632 1.44088 17.9 1.1 1.1 5.9 66 6 1 1 32.426 64.852 1.43653 15.9 1.0 1.0 5.9 67 5 2 4 32.68 65.36 1.42658 58.1 3.7 3.5 5.9 68 4 3 5 32.999 65.998 1.41434 18.6 1.2 1.1 5.9 69 4 1 9 33.495 66.99 1.39579 18.0 1.2 1.1 5.9 70 3 3 8 33.816 67.633 1.38407 32.7 2.1 2.0 5.9 71 1 1 12 34.048 68.097 1.37576 23.6 1.5 1.4 5.9 72 4 4 2 34.868 69.737 1.34737 31.4 2.0 1.9 5.9 73 6 1 5 35.453 70.907 1.32798 16.2 1.0 1.0 5.9 74 2 1 12 35.671 71.342 1.32095 25.4 1.6 1.5 5.9 75 4 1 10 35.867 71.734 1.31468 39.4 2.5 2.4 5.9 76 4 4 4 36.349 72.698 1.29961 48.6 3.1 2.9 6.0 77 3 0 12 36.47 72.94 1.29589 37.9 2.4 2.3 6.0 78 4 1 11 38.416 76.832 1.23966 27.8 1.8 1.7 6.0 79 7 1 4 39.876 79.752 1.20144 26.8 1.7 1.6 6.0 80 6 3 0 40.296 80.591 1.19103 31.3 2.0 1.8 6.1 81 7 1 5 40.941 81.882 1.17549 21.1 1.4 1.2 6.1 82 5 4 5 42.473 84.946 1.14075 16.1 1.0 0.9 6.1 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) |