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 *** *********************** SERPENTINE 1, Al Mg(2.0)Al(0.6)(Fe,Ca,K)(0.1)[Si(1.4)Al(0.6)]O(4.6)(OH)(4.4) Hexagonal P 31c Z = 1 R =0.102 NR =144 15 .8 .1991 Ref.Str.: Jahanbagloo I.C., Zoltai T. (1968) * Amer. Mineral., 53, 14-24 Initial data from BDM-file Lattice parameters (cub. angs.,degr.): a = 5.295 alpha = 90.0 b = 5.295 beta = 90.0 c = 63.99 gamma = 120.0 Unit cell volume (cub. angs.) = 1553.73 Molar volume ( cub.cm/mol.) = 935.87 Co-ordinates, thermal parameters, occupation for atomic positions: NoP x/a y/b z/c B(j) atom / occupation 1 0.46 0.0 0.0 2.35 O = 1.00 2 0.3333 0.6667 0.009 1.25 Si = 0.7 , Al = 0.3 3 0.3333 0.6667 0.0353 2.65 O = 1.00 4 0.0 0.0 0.0353 2.65 OH = 1.00 5 0.6667 0.0 0.0513 1.55 Mg = 0.8 , Al = 0.2 6 0.3333 0.0 0.067 2.74 OH = 1.00 Co-ordinates for all atomic positions : No NoP x/a y/b z/c 1 1 0.46 0.0 0.0 2 2 0.3333 0.6667 0.009 3 3 0.3333 0.6667 0.0353 4 4 0.0 0.0 0.0353 5 5 0.6667 0.0 0.0513 6 6 0.3333 0.0 0.067 7 1 0.0 0.46 0.0 8 1 0.54 0.54 0.0 9 5 0.0 0.6667 0.0513 10 5 0.3333 0.3333 0.0513 11 6 0.0 0.3333 0.067 12 6 0.6667 0.6667 0.067 13 1 0.0 0.46 0.5 14 2 0.6667 0.3333 0.509 15 3 0.6667 0.3333 0.5353 16 4 0.0 0.0 0.5353 17 5 0.0 0.6667 0.5513 18 6 0.0 0.3333 0.567 19 1 0.46 0.0 0.5 20 1 0.54 0.54 0.5 21 5 0.6667 0.0 0.5513 22 5 0.3333 0.3333 0.5513 23 6 0.3333 0.0 0.567 24 6 0.6667 0.6667 0.567 X-ray density (g/cm cub.) = 0.5 MU (1/cm) = 13.123 Mass attenuation coefficient (cm**2/g) = 26.212 Selected interatomic distances (cation-anion,anion-anion): NoP Atom Rad.sph. C.N. Distance NoP N. (angs.) (angs.) 1 O 3.312 5 2.7356 3 2.6728 1 2.6728 1 2.6728 1 2.6728 1 2 Si ,Al 2.364 4 1.6471 1 1.6829 3 1.6471 1 1.6472 1 3 O 3.312 9 2.7356 1 3.0571 4 3.057 4 3.0571 4 2.6888 6 2.7356 1 2.7357 1 2.6889 6 2.6889 6 4 OH 3.36 9 3.3219 1 3.0571 3 3.057 3 3.0571 3 2.6888 6 3.3219 1 3.3219 1 2.6888 6 2.6888 6 5 Mg ,Al 2.568 5 2.0405 3 2.0404 4 2.0309 6 2.0309 6 2.0309 6 6 OH 3.36 8 2.6888 3 2.6888 4 3.0571 6 3.057 6 3.0571 6 3.0571 6 3.0571 6 3.057 6 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 0 2 1.38 2.759 0.016 3447.62 2 218.6 13650.8 2 0 0 4 2.76 5.52 0.031 859.66 2 184.2 2415.8 3 0 0 6 4.142 8.284 0.047 380.42 2 134.1 566.9 4 0 0 8 5.526 11.052 0.063 212.69 2 79.1 110.3 5 0 0 10 6.914 13.827 0.078 135.06 2 41.1 18.9 6 0 0 12 8.305 16.611 0.094 92.91 2 55.3 23.5 7 1 0 0 9.67 19.341 0.109 67.96 6 17.8 5.4 8 1 0 1 9.695 19.391 0.109 67.6 12 32.1 34.7 9 0 0 14 9.702 19.404 0.109 67.5 2 82.0 37.6 10 1 0 2 9.77 19.54 0.11 66.53 12 18.4 11.2 11 1 0 3 9.893 19.787 0.112 64.83 12 31.1 31.2 12 1 0 4 10.064 20.127 0.113 62.58 12 20.0 12.5 13 1 0 5 10.279 20.557 0.116 59.9 12 29.2 25.4 14 1 0 6 10.536 21.071 0.119 56.91 12 22.0 13.8 15 1 0 7 10.832 21.664 0.122 53.73 12 26.5 18.7 16 0 0 16 11.105 22.209 0.125 51.02 2 95.9 38.9 17 1 0 8 11.164 22.329 0.126 50.45 12 23.9 14.4 18 1 0 9 11.53 23.06 0.13 47.17 12 23.1 12.5 19 1 0 10 11.926 23.853 0.134 43.95 12 25.3 14.0 20 1 0 11 12.351 24.701 0.139 40.84 12 19.3 7.5 21 0 0 18 12.514 25.028 0.141 39.73 2 95.0 29.7 22 1 0 12 12.8 25.6 0.144 37.89 12 26.0 12.7 23 1 0 13 13.272 26.544 0.149 35.1 12 15.3 4.1 24 1 0 14 13.765 27.53 0.154 32.48 12 25.8 10.7 25 0 0 20 13.931 27.862 0.156 31.67 2 82.3 17.8 26 1 0 15 14.277 28.555 0.16 30.06 12 11.5 2.0 27 1 0 16 14.807 29.614 0.166 27.81 12 24.8 8.5 28 1 0 17 15.352 30.704 0.172 25.73 12 8.5 0.9 29 0 0 22 15.357 30.713 0.172 25.72 2 63.3 8.5 30 1 0 18 15.912 31.824 0.178 23.82 12 23.0 6.3 31 1 0 19 16.485 32.971 0.184 22.07 12 7.3 0.6 32 0 0 24 16.792 33.584 0.188 21.2 2 44.5 3.5 33 1 1 0 16.915 33.829 0.189 20.87 6 14.7 1.1 34 1 1 -2 16.974 33.948 0.19 20.71 6 14.3 1.1 35 1 1 2 16.974 33.948 0.19 20.71 6 23.3 2.8 36 1 0 20 17.071 34.142 0.191 20.45 12 20.7 4.4 37 1 1 -4 17.152 34.304 0.191 20.25 6 14.8 1.1 38 1 1 4 17.152 34.304 0.191 20.25 6 39.7 7.9 39 1 1 -6 17.444 34.888 0.195 19.51 6 12.9 0.8 40 1 1 6 17.444 34.888 0.195 19.51 6 59.4 17.1 41 1 0 21 17.669 35.337 0.197 18.97 12 8.3 0.6 42 1 1 -8 17.847 35.693 0.199 18.56 6 9.3 0.4 43 1 1 8 17.847 35.693 0.199 18.56 6 78.3 28.3 44 0 0 26 18.239 36.477 0.203 17.7 2 31.9 1.5 45 1 0 22 18.277 36.553 0.204 17.62 12 18.0 2.8 46 1 1 -10 18.353 36.705 0.204 17.46 6 5.8 0.1 47 1 1 10 18.353 36.705 0.204 17.46 6 93.0 37.5 48 1 0 23 18.895 37.79 0.21 16.37 12 10.4 0.9 49 1 1 -12 18.955 37.911 0.211 16.26 6 4.7 0.1 50 1 1 12 18.955 37.911 0.211 16.26 6 100.9 41.1 51 1 0 24 19.523 39.046 0.217 15.23 12 15.1 1.7 52 2 0 0 19.631 39.261 0.218 15.05 6 22.2 1.9 53 2 0 1 19.644 39.288 0.218 15.02 12 23.6 4.1 54 1 1 -14 19.647 39.295 0.218 15.02 6 7.6 0.2 55 1 1 14 19.647 39.295 0.218 15.02 6 100.7 37.8 56 2 0 2 19.683 39.366 0.219 14.96 12 21.8 3.5 57 0 0 28 19.697 39.395 0.219 14.93 2 27.4 0.9 58 2 0 3 19.748 39.497 0.219 14.85 12 22.9 3.9 59 2 0 4 19.84 39.679 0.22 14.7 12 20.6 3.1 60 2 0 5 19.956 39.913 0.222 14.51 12 21.6 3.4 61 2 0 6 20.098 40.197 0.223 14.28 12 18.7 2.5 62 1 0 25 20.16 40.32 0.224 14.18 12 12.8 1.1 63 2 0 7 20.265 40.53 0.225 14.02 12 19.8 2.7 64 1 1 -16 20.421 40.842 0.226 13.78 6 13.5 0.6 65 1 1 16 20.421 40.842 0.226 13.78 6 92.9 29.5 66 2 0 8 20.456 40.912 0.227 13.73 12 16.7 1.9 67 2 0 9 20.67 41.341 0.229 13.41 12 17.5 2.1 68 1 0 26 20.806 41.612 0.231 13.22 12 12.2 1.0 69 2 0 10 20.908 41.816 0.232 13.07 12 15.0 1.5 70 2 0 11 21.168 42.337 0.234 12.72 12 15.0 1.4 71 0 0 30 21.169 42.339 0.234 12.72 2 25.8 0.7 72 1 1 -18 21.27 42.54 0.235 12.58 6 21.2 1.4 73 1 1 18 21.27 42.54 0.235 12.58 6 80.0 20.0 74 2 0 12 21.45 42.901 0.237 12.35 12 14.3 1.2 75 1 0 27 21.46 42.92 0.237 12.33 12 14.8 1.4 76 2 0 13 21.753 43.507 0.241 11.96 12 12.3 0.9 77 2 0 14 22.077 44.154 0.244 11.57 12 14.8 1.3 78 1 0 28 22.123 44.245 0.244 11.52 12 9.5 0.5 79 1 1 -20 22.187 44.375 0.245 11.44 6 29.2 2.4 80 1 1 20 22.187 44.375 0.245 11.44 6 67.3 12.9 81 2 0 15 22.421 44.841 0.248 11.18 12 9.9 0.5 82 0 0 32 22.656 45.312 0.25 10.91 2 22.6 0.5 83 2 0 16 22.783 45.567 0.251 10.78 12 16.3 1.4 84 1 0 29 22.793 45.586 0.251 10.77 12 16.5 1.5 85 2 0 17 23.165 46.329 0.255 10.38 12 8.0 0.3 86 1 1 -22 23.168 46.335 0.255 10.38 6 35.9 3.3 87 1 1 22 23.168 46.335 0.255 10.38 6 61.2 9.7 88 1 0 30 23.471 46.942 0.259 10.08 12 7.3 0.3 89 2 0 18 23.564 47.127 0.259 9.99 12 18.2 1.6 90 2 0 19 23.98 47.96 0.264 9.6 12 7.3 0.3 91 1 0 31 24.156 48.313 0.266 9.44 12 17.7 1.5 92 0 0 34 24.159 48.319 0.266 9.44 2 19.0 0.3 93 1 1 -24 24.206 48.412 0.266 9.4 6 39.9 3.7 94 1 1 24 24.206 48.412 0.266 9.4 6 64.7 9.8 95 2 0 20 24.413 48.826 0.268 9.21 12 20.1 1.8 96 1 0 32 24.849 49.699 0.273 8.85 12 5.7 0.1 97 2 0 21 24.862 49.724 0.273 8.84 12 7.9 0.3 98 1 1 -26 25.298 50.595 0.277 8.5 6 40.9 3.5 99 1 1 26 25.298 50.595 0.277 8.5 6 72.9 11.2 100 2 0 22 25.327 50.654 0.278 8.48 12 21.5 2.0 101 1 0 33 25.55 51.099 0.28 8.31 12 18.3 1.4 102 0 0 36 25.68 51.361 0.281 8.21 2 19.7 0.3 103 2 0 23 25.807 51.614 0.283 8.12 12 9.4 0.4 104 1 0 34 26.257 52.515 0.287 7.81 12 4.9 0.1 105 2 0 24 26.301 52.603 0.288 7.78 12 22.4 1.9 106 2 1 0 26.387 52.773 0.288 7.72 12 11.9 0.5 107 2 1 -1 26.397 52.794 0.289 7.71 12 19.2 1.4 108 2 1 1 26.397 52.794 0.289 7.71 12 19.2 1.4 109 2 1 -2 26.428 52.857 0.289 7.69 12 12.5 0.6 110 2 1 2 26.428 52.857 0.289 7.69 12 11.8 0.5 111 1 1 -28 26.44 52.879 0.289 7.68 6 40.1 3.1 112 1 1 28 26.44 52.879 0.289 7.68 6 79.5 12.1 113 2 1 -3 26.48 52.961 0.289 7.66 12 18.7 1.3 114 2 1 3 26.48 52.961 0.289 7.66 12 18.7 1.3 115 2 1 -4 26.553 53.106 0.29 7.61 12 13.3 0.7 116 2 1 4 26.553 53.106 0.29 7.61 12 12.3 0.6 117 2 1 -5 26.647 53.293 0.291 7.55 12 17.7 1.2 118 2 1 5 26.647 53.293 0.291 7.55 12 17.7 1.2 119 2 1 -6 26.76 53.52 0.292 7.48 12 14.0 0.7 120 2 1 6 26.76 53.52 0.292 7.48 12 13.3 0.7 121 2 0 25 26.81 53.62 0.293 7.45 12 11.1 0.5 122 2 1 -7 26.894 53.788 0.294 7.39 12 16.4 1.0 123 2 1 7 26.894 53.788 0.294 7.39 12 16.4 1.0 124 1 0 35 26.973 53.945 0.294 7.34 12 18.4 1.2 125 2 1 -8 27.048 54.097 0.295 7.3 12 14.5 0.8 126 2 1 8 27.048 54.097 0.295 7.3 12 14.5 0.8 127 0 0 38 27.221 54.442 0.297 7.19 2 25.3 0.4 128 2 1 -9 27.222 54.444 0.297 7.19 12 14.7 0.8 129 2 1 9 27.222 54.444 0.297 7.19 12 14.7 0.8 130 2 0 26 27.332 54.665 0.298 7.13 12 22.6 1.8 131 2 1 -10 27.416 54.831 0.299 7.08 12 14.6 0.8 132 2 1 10 27.416 54.831 0.299 7.08 12 15.8 0.9 133 2 1 -11 27.628 55.257 0.301 6.95 12 12.8 0.6 134 2 1 11 27.628 55.257 0.301 6.95 12 12.8 0.6 135 1 1 -30 27.629 55.258 0.301 6.95 6 40.1 2.8 136 1 1 30 27.629 55.258 0.301 6.95 6 80.9 11.3 137 1 0 36 27.695 55.39 0.302 6.92 12 4.8 0.1 138 2 1 -12 27.86 55.72 0.303 6.82 12 14.3 0.7 139 2 1 12 27.86 55.72 0.303 6.82 12 16.8 1.0 140 2 0 27 27.868 55.736 0.303 6.82 12 12.7 0.5 141 2 1 -13 28.11 56.221 0.306 6.69 12 10.8 0.4 142 2 1 13 28.11 56.221 0.306 6.69 12 10.8 0.4 143 2 1 -14 28.379 56.759 0.309 6.54 12 13.6 0.6 144 2 1 14 28.379 56.759 0.309 6.54 12 17.5 1.0 145 2 0 28 28.417 56.834 0.309 6.52 12 22.2 1.6 146 1 0 37 28.425 56.85 0.309 6.52 12 18.1 1.1 147 2 1 -15 28.666 57.333 0.311 6.4 12 9.1 0.3 148 2 1 15 28.666 57.333 0.311 6.4 12 9.1 0.3 149 0 0 40 28.783 57.567 0.313 6.34 2 31.5 0.5 150 1 1 -32 28.864 57.728 0.313 6.3 6 43.9 3.0 151 1 1 32 28.864 57.728 0.313 6.3 6 76.0 9.0 152 2 1 -16 28.971 57.942 0.314 6.24 12 12.5 0.5 153 2 1 16 28.971 57.942 0.314 6.24 12 17.7 1.0 154 2 0 29 28.979 57.958 0.314 6.24 12 14.0 0.6 155 1 0 38 29.163 58.326 0.316 6.15 12 5.0 0.1 156 2 1 -17 29.293 58.586 0.318 6.09 12 7.8 0.2 157 2 1 17 29.293 58.586 0.318 6.09 12 7.8 0.2 158 2 0 30 29.553 59.106 0.32 5.97 12 21.3 1.4 159 2 1 -18 29.632 59.265 0.321 5.94 12 11.0 0.4 160 2 1 18 29.632 59.265 0.321 5.94 12 17.5 0.9 161 1 0 39 29.908 59.816 0.324 5.81 12 17.3 0.9 162 2 1 -19 29.988 59.977 0.324 5.78 12 7.3 0.2 163 2 1 19 29.988 59.977 0.324 5.78 12 7.3 0.2 164 2 0 31 30.14 60.28 0.326 5.71 12 15.0 0.6 165 1 1 -34 30.142 60.285 0.326 5.71 6 51.5 3.8 166 1 1 34 30.142 60.285 0.326 5.71 6 65.5 6.1 167 3 0 0 30.261 60.521 0.327 5.66 6 77.4 8.4 168 3 0 1 30.27 60.54 0.327 5.66 12 0.0 0.0 169 3 0 2 30.299 60.597 0.327 5.65 12 75.5 16.0 170 3 0 3 30.346 60.693 0.328 5.63 12 0.0 0.0 171 2 1 -20 30.361 60.722 0.328 5.62 12 9.4 0.2 172 2 1 20 30.361 60.722 0.328 5.62 12 16.9 0.8 173 0 0 42 30.37 60.739 0.328 5.62 2 35.6 0.6 174 3 0 4 30.413 60.826 0.329 5.6 12 70.0 13.6 175 3 0 5 30.498 60.997 0.329 5.57 12 0.0 0.0 176 3 0 6 30.603 61.206 0.33 5.52 12 61.6 10.4 177 1 0 40 30.661 61.322 0.331 5.5 12 5.2 0.1 178 3 0 7 30.726 61.452 0.332 5.47 12 0.0 0.0 179 2 0 32 30.739 61.477 0.332 5.47 12 20.1 1.1 180 2 1 -21 30.75 61.5 0.332 5.46 12 7.7 0.2 181 2 1 21 30.75 61.5 0.332 5.46 12 7.7 0.2 182 3 0 8 30.867 61.735 0.333 5.42 12 51.6 7.2 183 3 0 9 31.027 62.055 0.335 5.36 12 0.0 0.0 184 2 1 -22 31.154 62.309 0.336 5.31 12 7.6 0.2 185 2 1 22 31.154 62.309 0.336 5.31 12 15.8 0.7 186 3 0 10 31.206 62.411 0.336 5.29 12 41.8 4.6 187 2 0 33 31.349 62.699 0.338 5.24 12 15.5 0.6 188 3 0 11 31.402 62.804 0.338 5.22 12 0.0 0.0 189 1 0 41 31.422 62.844 0.338 5.21 12 16.2 0.7 190 1 1 -36 31.464 62.928 0.339 5.19 6 60.3 4.7 191 1 1 36 31.464 62.928 0.339 5.19 6 51.1 3.4 192 2 1 -23 31.575 63.15 0.34 5.15 12 8.7 0.2 193 2 1 23 31.575 63.15 0.34 5.15 12 8.7 0.2 194 3 0 12 31.616 63.233 0.34 5.14 12 34.4 3.0 195 3 0 13 31.848 63.697 0.343 5.06 12 0.0 0.0 196 2 0 34 31.972 63.944 0.344 5.02 12 18.6 0.9 197 0 0 44 31.982 63.964 0.344 5.01 2 36.7 0.6 198 2 1 -24 32.011 64.021 0.344 5.0 12 5.8 0.1 199 2 1 24 32.011 64.021 0.344 5.0 12 14.5 0.5 200 3 0 14 32.098 64.196 0.345 4.97 12 31.2 2.4 201 1 0 42 32.191 64.383 0.346 4.94 12 5.2 0.1 202 3 0 15 32.365 64.729 0.347 4.88 12 0.0 0.0 203 2 1 -25 32.461 64.923 0.348 4.85 12 10.0 0.2 204 2 1 25 32.461 64.923 0.348 4.85 12 10.0 0.2 205 2 0 35 32.606 65.212 0.35 4.81 12 15.7 0.6 206 3 0 16 32.649 65.297 0.35 4.79 12 31.4 2.4 207 1 1 -38 32.828 65.655 0.352 4.74 6 67.2 5.3 208 1 1 38 32.828 65.655 0.352 4.74 6 34.8 1.4 209 2 1 -26 32.927 65.854 0.353 4.71 12 4.1 0.0 210 2 1 26 32.927 65.854 0.353 4.71 12 13.0 0.4 211 3 0 17 32.949 65.899 0.353 4.7 12 0.0 0.0 212 1 0 43 32.969 65.938 0.353 4.69 12 14.9 0.5 213 2 0 36 33.252 66.504 0.356 4.61 12 17.2 0.7 214 3 0 18 33.267 66.534 0.356 4.61 12 32.8 2.5 215 2 1 -27 33.407 66.815 0.357 4.56 12 11.2 0.3 216 2 1 27 33.407 66.815 0.357 4.56 12 11.2 0.3 217 3 0 19 33.601 67.202 0.359 4.51 12 0.0 0.0 218 0 0 46 33.623 67.246 0.359 4.5 2 35.7 0.5 219 1 0 44 33.755 67.511 0.361 4.47 12 5.1 0.1 220 2 1 -28 33.902 67.805 0.362 4.43 12 2.7 0.0 221 2 1 28 33.902 67.805 0.362 4.43 12 11.4 0.3 222 2 0 37 33.91 67.819 0.362 4.42 12 15.5 0.5 223 3 0 20 33.951 67.903 0.363 4.41 12 33.3 2.4 224 1 1 -40 34.234 68.468 0.365 4.34 6 70.4 5.3 225 1 1 40 34.234 68.468 0.365 4.34 6 18.6 0.4 226 3 0 21 34.318 68.636 0.366 4.31 12 0.0 0.0 227 2 1 -29 34.412 68.823 0.367 4.29 12 12.2 0.3 228 2 1 29 34.412 68.823 0.367 4.29 12 12.2 0.3 229 1 0 45 34.551 69.101 0.368 4.26 12 13.3 0.4 230 2 0 38 34.579 69.158 0.368 4.25 12 16.0 0.5 231 3 0 22 34.7 69.4 0.37 4.22 12 32.0 2.2 232 2 1 -30 34.935 69.87 0.372 4.16 12 1.5 0.0 233 2 1 30 34.935 69.87 0.372 4.16 12 10.0 0.2 234 3 0 23 35.098 70.196 0.373 4.12 12 0.0 0.0 235 2 0 39 35.26 70.52 0.375 4.08 12 14.9 0.5 236 0 0 48 35.296 70.592 0.375 4.08 2 34.3 0.4 237 1 0 46 35.355 70.71 0.376 4.06 12 4.9 0.0 238 2 1 -31 35.473 70.945 0.377 4.03 12 13.0 0.3 239 2 1 31 35.473 70.945 0.377 4.03 12 13.0 0.3 240 3 0 24 35.512 71.024 0.377 4.03 12 29.1 1.7 241 2 2 0 35.584 71.167 0.378 4.01 6 18.7 0.3 242 2 2 -2 35.619 71.238 0.378 4.0 6 32.5 1.1 243 2 2 2 35.619 71.238 0.378 4.0 6 7.3 0.1 244 1 1 -42 35.684 71.368 0.379 3.99 6 68.9 4.7 245 1 1 42 35.684 71.368 0.379 3.99 6 4.5 0.0 246 2 2 -4 35.724 71.448 0.379 3.98 6 45.5 2.0 247 2 2 4 35.724 71.448 0.379 3.98 6 9.9 0.1 248 2 2 -6 35.899 71.798 0.381 3.94 6 55.3 3.0 249 2 2 6 35.899 71.798 0.381 3.94 6 17.5 0.3 250 3 0 25 35.941 71.882 0.381 3.93 12 0.0 0.0 251 2 0 40 35.953 71.906 0.381 3.93 12 15.2 0.5 252 2 1 -32 36.024 72.049 0.382 3.91 12 0.8 0.0 253 2 1 32 36.024 72.049 0.382 3.91 12 8.7 0.1 254 2 2 -8 36.143 72.287 0.383 3.89 6 60.4 3.5 255 2 2 8 36.143 72.287 0.383 3.89 6 23.2 0.5 256 1 0 47 36.169 72.339 0.383 3.88 12 11.7 0.3 257 3 0 26 36.385 72.771 0.385 3.84 12 24.9 1.2 258 2 2 -10 36.457 72.913 0.386 3.83 6 60.0 3.4 259 2 2 10 36.457 72.913 0.386 3.83 6 27.1 0.7 260 2 1 -33 36.59 73.18 0.387 3.8 12 13.5 0.3 261 2 1 33 36.59 73.18 0.387 3.8 12 13.5 0.3 262 2 0 41 36.658 73.315 0.388 3.79 12 14.0 0.4 263 2 2 -12 36.838 73.676 0.389 3.75 6 54.3 2.7 264 2 2 12 36.838 73.676 0.389 3.75 6 29.9 0.8 265 3 0 27 36.845 73.69 0.389 3.75 12 0.0 0.0 266 1 0 48 36.993 73.987 0.391 3.72 12 4.6 0.0 267 0 0 50 37.004 74.009 0.391 3.72 2 34.4 0.4 268 2 1 -34 37.169 74.338 0.392 3.69 12 0.9 0.0 269 2 1 34 37.169 74.338 0.392 3.69 12 7.8 0.1 270 1 1 -44 37.179 74.357 0.392 3.69 6 62.6 3.6 271 1 1 44 37.179 74.357 0.392 3.69 6 7.4 0.0 272 3 1 0 37.276 74.552 0.393 3.67 12 11.9 0.3 273 3 1 -1 37.284 74.569 0.393 3.67 12 14.1 0.4 274 3 1 1 37.284 74.569 0.393 3.67 12 14.1 0.4 275 2 2 -14 37.287 74.574 0.393 3.67 6 44.7 1.8 276 2 2 14 37.287 74.574 0.393 3.67 6 31.8 0.9 277 3 1 -2 37.31 74.621 0.393 3.66 12 11.9 0.3 278 3 1 2 37.31 74.621 0.393 3.66 12 12.1 0.3 279 3 0 28 37.32 74.639 0.394 3.66 12 20.4 0.8 280 3 1 -3 37.353 74.707 0.394 3.66 12 13.8 0.3 281 3 1 3 37.353 74.707 0.394 3.66 12 13.8 0.3 282 2 0 42 37.374 74.749 0.394 3.65 12 14.8 0.4 283 3 1 -4 37.414 74.827 0.394 3.64 12 12.2 0.3 284 3 1 4 37.414 74.827 0.394 3.64 12 12.5 0.3 285 3 1 -5 37.491 74.982 0.395 3.63 12 13.2 0.3 286 3 1 5 37.491 74.982 0.395 3.63 12 13.2 0.3 287 3 1 -6 37.585 75.171 0.396 3.61 12 12.7 0.3 288 3 1 6 37.585 75.171 0.396 3.61 12 12.7 0.3 289 3 1 -7 37.697 75.394 0.397 3.59 12 12.3 0.3 290 3 1 7 37.697 75.394 0.397 3.59 12 12.3 0.3 291 2 1 -35 37.762 75.525 0.398 3.58 12 13.6 0.3 292 2 1 35 37.762 75.525 0.398 3.58 12 13.6 0.3 293 2 2 -16 37.802 75.605 0.398 3.58 6 34.6 1.1 294 2 2 16 37.802 75.605 0.398 3.58 6 32.4 0.9 295 3 0 29 37.809 75.618 0.398 3.58 12 0.0 0.0 296 3 1 -8 37.826 75.651 0.398 3.57 12 13.5 0.3 297 3 1 8 37.826 75.651 0.398 3.57 12 12.8 0.3 298 1 0 49 37.828 75.656 0.398 3.57 12 10.2 0.2 299 3 1 -9 37.971 75.943 0.399 3.55 12 11.2 0.2 300 3 1 9 37.971 75.943 0.399 3.55 12 11.2 0.2 301 2 0 43 38.103 76.207 0.401 3.53 12 13.0 0.3 302 3 1 -10 38.134 76.267 0.401 3.52 12 14.3 0.4 303 3 1 10 38.134 76.267 0.401 3.52 12 12.5 0.3 304 3 1 -11 38.313 76.626 0.402 3.49 12 10.1 0.2 305 3 1 11 38.313 76.626 0.402 3.49 12 10.1 0.2 306 3 0 30 38.314 76.628 0.402 3.49 12 15.8 0.4 307 2 1 -36 38.37 76.739 0.403 3.48 12 1.1 0.0 308 2 1 36 38.37 76.739 0.403 3.48 12 7.2 0.1 309 2 2 -18 38.384 76.767 0.403 3.48 6 29.8 0.8 310 2 2 18 38.384 76.767 0.403 3.48 6 30.8 0.8 311 3 1 -12 38.509 77.018 0.404 3.46 12 15.1 0.4 312 3 1 12 38.509 77.018 0.404 3.46 12 12.0 0.2 313 1 0 50 38.673 77.346 0.406 3.44 12 4.3 0.0 314 1 1 -46 38.72 77.439 0.406 3.43 6 52.6 2.4 315 1 1 46 38.72 77.439 0.406 3.43 6 15.4 0.2 316 3 1 -13 38.722 77.444 0.406 3.43 12 8.9 0.1 317 3 1 13 38.722 77.444 0.406 3.43 12 8.9 0.1 318 0 0 52 38.752 77.504 0.406 3.43 2 36.2 0.4 319 3 0 31 38.833 77.667 0.407 3.41 12 0.0 0.0 320 2 0 44 38.845 77.69 0.407 3.41 12 14.7 0.4 321 3 1 -14 38.951 77.903 0.408 3.4 12 15.6 0.4 322 3 1 14 38.951 77.903 0.408 3.4 12 11.2 0.2 323 2 1 -37 38.991 77.981 0.408 3.39 12 13.5 0.3 324 2 1 37 38.991 77.981 0.408 3.39 12 13.5 0.3 325 2 2 -20 39.03 78.06 0.409 3.39 6 34.2 1.0 326 2 2 20 39.03 78.06 0.409 3.39 6 26.5 0.6 327 3 1 -15 39.197 78.395 0.41 3.36 12 7.8 0.1 328 3 1 15 39.197 78.395 0.41 3.36 12 7.8 0.1 329 3 0 32 39.368 78.735 0.412 3.34 12 11.3 0.2 330 3 1 -16 39.46 78.92 0.413 3.33 12 15.9 0.4 331 3 1 16 39.46 78.92 0.413 3.33 12 10.1 0.2 332 1 0 51 39.53 79.06 0.413 3.32 12 8.7 0.1 333 2 0 45 39.599 79.198 0.414 3.31 12 11.7 0.2 334 2 1 -38 39.626 79.252 0.414 3.3 12 1.1 0.0 335 2 1 38 39.626 79.252 0.414 3.3 12 7.0 0.1 336 3 1 -17 39.739 79.478 0.415 3.29 12 7.1 0.1 337 3 1 17 39.739 79.478 0.415 3.29 12 7.0 0.1 338 2 2 -22 39.741 79.482 0.415 3.29 6 42.8 1.5 339 2 2 22 39.741 79.482 0.415 3.29 6 19.9 0.3 340 3 0 33 39.917 79.834 0.417 3.27 12 0.0 0.0 341 3 1 -18 40.034 80.068 0.418 3.25 12 15.8 0.4 342 3 1 18 40.034 80.068 0.418 3.25 12 8.7 0.1 343 2 1 -39 40.275 80.551 0.42 3.22 12 13.0 0.3 344 2 1 39 40.275 80.551 0.42 3.22 12 13.0 0.3 345 1 1 -48 40.31 80.619 0.42 3.22 6 40.4 1.3 346 1 1 48 40.31 80.619 0.42 3.22 6 20.5 0.3 347 3 1 -19 40.346 80.691 0.42 3.21 12 6.8 0.1 348 3 1 19 40.346 80.691 0.42 3.21 12 6.7 0.1 349 2 0 46 40.366 80.732 0.42 3.21 12 14.7 0.3 350 1 0 52 40.398 80.797 0.421 3.21 12 4.0 0.0 351 3 0 34 40.481 80.962 0.421 3.2 12 6.4 0.1 352 2 2 -24 40.516 81.032 0.422 3.19 6 50.2 2.0 353 2 2 24 40.516 81.032 0.422 3.19 6 13.1 0.1 354 0 0 54 40.544 81.087 0.422 3.19 2 38.3 0.4 355 3 1 -20 40.674 81.347 0.423 3.17 12 15.4 0.4 356 3 1 20 40.674 81.347 0.423 3.17 12 7.3 0.1 357 2 1 -40 40.939 81.878 0.425 3.14 12 1.0 0.0 358 2 1 40 40.939 81.878 0.425 3.14 12 6.9 0.1 359 3 1 -21 41.018 82.035 0.426 3.14 12 6.9 0.1 360 3 1 21 41.018 82.035 0.426 3.14 12 6.9 0.1 361 3 0 35 41.06 82.12 0.426 3.13 12 0.0 0.0 362 2 0 47 41.147 82.294 0.427 3.12 12 10.4 0.2 363 1 0 53 41.279 82.559 0.428 3.11 12 7.6 0.1 364 2 2 -26 41.355 82.71 0.429 3.1 6 54.0 2.2 365 2 2 26 41.355 82.71 0.429 3.1 6 13.2 0.1 366 3 1 -22 41.378 82.755 0.429 3.1 12 14.7 0.3 367 3 1 22 41.378 82.755 0.429 3.1 12 5.8 0.1 368 2 1 -41 41.617 83.234 0.431 3.07 12 12.3 0.2 369 2 1 41 41.617 83.234 0.431 3.07 12 12.3 0.2 370 3 0 36 41.654 83.309 0.431 3.07 12 0.7 0.0 371 3 1 -23 41.754 83.508 0.432 3.06 12 7.5 0.1 372 3 1 23 41.754 83.508 0.432 3.06 12 7.5 0.1 373 2 0 48 41.941 83.883 0.434 3.04 12 14.8 0.3 374 1 1 -50 41.952 83.904 0.434 3.04 6 28.6 0.6 375 1 1 50 41.952 83.904 0.434 3.04 6 23.3 0.4 376 3 1 -24 42.146 84.293 0.436 3.02 12 13.8 0.3 377 3 1 24 42.146 84.293 0.436 3.02 12 4.4 0.0 378 1 0 54 42.174 84.347 0.436 3.02 12 3.8 0.0 379 4 0 0 42.215 84.43 0.436 3.02 6 3.5 0.0 380 4 0 1 42.223 84.446 0.436 3.02 12 12.4 0.2 381 4 0 2 42.248 84.496 0.436 3.02 12 3.4 0.0 382 2 2 -28 42.257 84.514 0.437 3.02 6 53.4 2.1 383 2 2 28 42.257 84.514 0.437 3.02 6 21.2 0.3 384 3 0 37 42.264 84.528 0.437 3.01 12 0.0 0.0 385 4 0 3 42.29 84.58 0.437 3.01 12 12.1 0.2 386 2 1 -42 42.31 84.62 0.437 3.01 12 0.7 0.0 387 2 1 42 42.31 84.62 0.437 3.01 12 6.9 0.1 388 4 0 4 42.348 84.696 0.437 3.01 12 3.0 0.0 389 0 0 56 42.384 84.769 0.438 3.0 2 39.5 0.4 390 4 0 5 42.423 84.846 0.438 3.0 12 11.6 0.2 391 4 0 6 42.515 85.03 0.439 2.99 12 2.5 0.0 392 3 1 -25 42.555 85.11 0.439 2.99 12 8.2 0.1 393 3 1 25 42.555 85.11 0.439 2.99 12 8.2 0.1 394 4 0 7 42.623 85.246 0.44 2.98 12 10.9 0.2 395 4 0 8 42.748 85.496 0.441 2.97 12 2.1 0.0 396 2 0 49 42.75 85.501 0.441 2.97 12 9.1 0.1 397 3 0 38 42.889 85.778 0.442 2.96 12 6.1 0.1 398 4 0 9 42.89 85.779 0.442 2.96 12 10.0 0.1 399 3 1 -26 42.98 85.959 0.443 2.96 12 12.7 0.2 400 3 1 26 42.98 85.959 0.443 2.96 12 3.1 0.0 401 2 1 -43 43.018 86.036 0.443 2.95 12 11.4 0.2 402 2 1 43 43.018 86.036 0.443 2.95 12 11.4 0.2 403 4 0 10 43.048 86.096 0.443 2.95 12 2.3 0.0 404 1 0 55 43.082 86.163 0.443 2.95 12 6.8 0.1 405 4 0 11 43.223 86.445 0.445 2.94 12 9.0 0.1 406 2 2 -30 43.223 86.447 0.445 2.94 6 48.8 1.7 407 2 2 30 43.223 86.447 0.445 2.94 6 30.4 0.7 408 4 0 12 43.414 86.828 0.446 2.92 12 3.0 0.0 409 3 1 -27 43.421 86.841 0.446 2.92 12 9.0 0.1 410 3 1 27 43.421 86.841 0.446 2.92 12 9.0 0.1 411 3 0 39 43.529 87.059 0.447 2.92 12 0.0 0.0 412 2 0 50 43.574 87.148 0.447 2.91 12 14.9 0.3 413 4 0 13 43.622 87.243 0.448 2.91 12 8.1 0.1 414 1 1 -52 43.651 87.302 0.448 2.91 6 20.8 0.3 415 1 1 52 43.651 87.302 0.448 2.91 6 24.5 0.4 416 2 1 -44 43.742 87.483 0.449 2.9 12 0.7 0.0 417 2 1 44 43.742 87.483 0.449 2.9 12 6.8 0.1 418 4 0 14 43.846 87.692 0.45 2.89 12 4.1 0.0 419 3 1 -28 43.878 87.756 0.45 2.89 12 11.6 0.2 420 3 1 28 43.878 87.756 0.45 2.89 12 2.3 0.0 421 1 0 56 44.004 88.009 0.451 2.88 12 3.7 0.0 422 4 0 15 44.087 88.174 0.452 2.88 12 7.2 0.1 423 3 0 40 44.186 88.372 0.452 2.87 12 13.3 0.3 424 2 2 -32 44.254 88.508 0.453 2.87 6 41.3 1.2 425 2 2 32 44.254 88.508 0.453 2.87 6 38.0 1.0 426 0 0 58 44.281 88.562 0.453 2.87 2 38.7 0.4 427 4 0 16 44.344 88.689 0.454 2.86 12 5.2 0.0 428 3 1 -29 44.351 88.702 0.454 2.86 12 9.7 0.1 429 3 1 29 44.351 88.702 0.454 2.86 12 9.7 0.1 430 2 0 51 44.413 88.826 0.454 2.86 12 8.0 0.1 431 2 1 -45 44.481 88.962 0.455 2.86 12 10.4 0.2 432 2 1 45 44.481 88.962 0.455 2.86 12 10.4 0.2 433 4 0 17 44.618 89.237 0.456 2.85 12 6.6 0.1 434 3 1 -30 44.841 89.682 0.458 2.84 12 10.5 0.2 435 3 1 30 44.841 89.682 0.458 2.84 12 2.0 0.0 436 3 0 41 44.858 89.717 0.458 2.84 12 0.0 0.0 437 4 0 18 44.909 89.818 0.458 2.83 12 6.3 0.1 438 1 0 57 44.943 89.886 0.459 2.83 12 6.4 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 0 0 2 1.38 2.759 31.995 13650.8 100.0 100.0 5.5 2 0 0 4 2.76 5.52 15.9975 2415.8 17.7 17.7 5.5 3 0 0 6 4.142 8.284 10.665 566.9 4.2 4.1 5.6 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) |