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 *** *********************** CHAMOSITE 1, f-chlorite, sf-diseptochlorite, s-clinochlore [Mg(2.518)Fe(2.482)][Al(1.2)Si(3.8)]O(18) Triclinic C 1(-) Z = 2 C1(-) 11 .7 .1907 Ref.Str.: Walker J.R., Bish D.L. (1992) * Clays and Clay Minerals, 40, 319-322 Reserv: Lebanon, New Hampshire, USA. N.A.D. Initial data from BDM-file Lattice parameters (cub. angs.,degr.): a = 5.3698 alpha = 90.32 b = 9.3031 beta = 97.23 c = 14.261 gamma = 90.02 Unit cell volume (cub. angs.) = 706.74 Molar volume ( cub.cm/mol.) = 212.85 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 Mg = 0.54, Fe = 0.46 2 0.0141 0.3348 0.0027 0.0 Mg = 0.5 , Fe = 0.5 3 0.0032 0.1683 0.5004 0.0 Mg = 0.49, Fe = 0.51 4 0.0 0.5 0.5 0.0 Al = 1.00 5 0.24 0.17 0.1941 0.0 Si = 0.95, Al = 0.05 6 0.73 0.998 0.1945 0.0 Si = 0.95, Al = 0.05 7 0.191 0.1635 0.0789 0.0 O = 1.00 8 0.705 0.998 0.0756 0.0 O = 1.00 9 0.231 0.336 0.2374 0.0 O = 1.00 10 0.528 0.118 0.2302 0.0 O = 1.00 11 0.018 0.061 0.2306 0.0 O = 1.00 12 0.689 0.3312 0.0742 0.0 O = 1.00 13 0.144 0.999 0.43 0.0 O = 1.00 14 0.143 0.3361 0.4286 0.0 O = 1.00 15 0.643 0.1627 0.4311 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 0.0141 0.3348 0.0027 3 3 0.0032 0.1683 0.5004 4 4 0.0 0.5 0.5 5 5 0.24 0.17 0.1941 6 6 0.73 0.998 0.1945 7 7 0.191 0.1635 0.0789 8 8 0.705 0.998 0.0756 9 9 0.231 0.336 0.2374 10 10 0.528 0.118 0.2302 11 11 0.018 0.061 0.2306 12 12 0.689 0.3312 0.0742 13 13 0.144 0.999 0.43 14 14 0.143 0.3361 0.4286 15 15 0.643 0.1627 0.4311 16 2 0.9859 0.6652 0.9973 17 3 0.9968 0.8317 0.4996 18 5 0.76 0.83 0.8059 19 6 0.27 0.002 0.8055 20 7 0.809 0.8365 0.9211 21 8 0.295 0.002 0.9244 22 9 0.769 0.664 0.7626 23 10 0.472 0.882 0.7698 24 11 0.982 0.939 0.7694 25 12 0.311 0.6688 0.9258 26 13 0.856 0.001 0.57 27 14 0.857 0.6639 0.5714 28 15 0.357 0.8373 0.5689 29 1 0.5 0.5 0.0 30 2 0.4859 0.1652 0.9973 31 3 0.4968 0.3317 0.4996 32 4 0.5 0.0 0.5 33 5 0.26 0.33 0.8059 34 6 0.77 0.502 0.8055 35 7 0.309 0.3365 0.9211 36 8 0.795 0.502 0.9244 37 9 0.269 0.164 0.7626 38 10 0.972 0.382 0.7698 39 11 0.482 0.439 0.7694 40 12 0.811 0.1688 0.9258 41 13 0.356 0.501 0.57 42 14 0.357 0.1639 0.5714 43 15 0.857 0.3373 0.5689 44 2 0.5141 0.8348 0.0027 45 3 0.5032 0.6683 0.5004 46 5 0.74 0.67 0.1941 47 6 0.23 0.498 0.1945 48 7 0.691 0.6635 0.0789 49 8 0.205 0.498 0.0756 50 9 0.731 0.836 0.2374 51 10 0.028 0.618 0.2302 52 11 0.518 0.561 0.2306 53 12 0.189 0.8312 0.0742 54 13 0.644 0.499 0.43 55 14 0.643 0.8361 0.4286 56 15 0.143 0.6627 0.4311 X-ray density (g/cm cub.) = 2.94 MU (1/cm) = 133.721 Mass attenuation coefficient (cm**2/g) = 45.407 Selected interatomic distances (cation-anion,anion-anion): NoP Atom Rad.sph. C.N. Distance NoP N. (angs.) (angs.) 1 Mg ,Fe 2.592 6 2.0787 7 2.0254 8 2.0787 7 2.0254 8 2.0892 12 2.0892 12 2 Mg ,Fe 2.592 6 2.0936 7 2.13 12 2.08 7 2.1772 8 2.1109 12 2.0371 8 3 Mg ,Fe 2.592 6 2.0579 13 2.0638 14 2.0588 15 2.0606 13 2.0377 14 2.0542 15 4 Al 2.316 6 2.0328 14 2.0328 14 2.0421 13 2.0129 15 2.0421 13 2.0129 15 5 Si ,Al 2.316 4 1.6315 7 1.663 9 1.6412 10 1.6975 11 6 Si ,Al 2.316 4 1.684 8 1.678 10 1.672 11 1.6294 9 7 O 3.264 12 3.1664 8 3.0247 8 2.7511 9 2.6715 10 2.6421 11 3.1037 12 3.1087 12 2.7745 8 2.9076 7 2.7951 12 3.1135 8 3.0918 12 8 O 3.264 12 3.0247 7 3.1664 7 2.7408 10 2.6653 11 3.1011 12 2.7745 7 2.8816 8 2.7849 12 3.1135 7 2.7518 9 3.0297 12 3.1731 12 9 O 3.264 7 2.7511 7 2.5901 10 2.7982 11 2.8254 14 2.7518 8 2.8387 10 2.6083 11 10 O 3.264 8 2.6715 7 2.7408 8 2.5901 9 2.6836 11 2.79 11 3.1878 12 2.8816 15 2.8387 9 11 O 3.264 7 2.6421 7 2.6653 8 2.7982 9 2.79 10 2.6836 10 2.9001 13 2.6083 9 12 O 3.264 10 3.1087 7 3.1037 7 3.1011 8 3.1878 10 2.7951 7 2.7849 8 2.7396 12 3.0918 7 3.1731 8 3.0297 8 13 O 3.264 10 2.9001 11 3.1363 14 3.0799 15 3.0936 15 2.675 13 2.6379 15 2.6668 14 3.0811 14 3.0851 14 3.1288 15 14 O 3.264 10 2.8254 9 3.1363 13 3.1292 15 3.1359 15 2.6668 13 2.7353 14 2.6713 15 3.0851 13 3.0811 13 3.0384 15 15 O 3.264 10 2.8816 10 3.0936 13 3.0799 13 3.1359 14 3.1292 14 2.6379 13 2.6713 14 2.6862 15 3.1288 13 3.0384 14 X-ray diffraction powder data (II), X-Ray W.L. = 1.78892(angs.): No H K L Theta 2*Theta S LPG MF F I int. ( degree ) *100 1 0 0 1 3.625 7.25 0.035 497.34 2 56.9 644.4 2 0 0 2 7.264 14.529 0.071 122.13 2 145.1 1030.0 3 0 0 3 10.934 21.868 0.106 52.69 2 109.4 252.5 4 0 2 0 11.087 22.174 0.107 51.19 2 21.1 9.1 5 -1 1 0 11.151 22.302 0.108 50.58 2 81.3 133.9 6 1 1 0 11.162 22.323 0.108 50.48 2 59.7 72.0 7 -1 -1 1 11.35 22.699 0.11 48.75 2 70.8 97.8 8 -1 1 1 11.359 22.719 0.11 48.66 2 27.5 14.7 9 0 -2 1 11.659 23.318 0.113 46.09 2 78.2 113.0 10 0 2 1 11.698 23.397 0.113 45.76 2 37.2 25.4 11 1 -1 1 12.109 24.218 0.117 42.57 2 44.9 34.4 12 1 1 1 12.138 24.276 0.118 42.36 2 9.3 1.5 13 -1 -1 2 12.653 25.305 0.122 38.82 2 42.6 28.2 14 -1 1 2 12.68 25.359 0.123 38.65 2 56.7 49.7 15 0 -2 2 13.271 26.542 0.128 35.1 2 4.6 0.3 16 0 2 2 13.34 26.681 0.129 34.72 2 67.1 62.6 17 1 -1 2 14.009 28.019 0.135 31.29 2 17.2 3.7 18 1 1 2 14.051 28.102 0.136 31.1 2 71.0 62.8 19 0 0 4 14.649 29.298 0.141 28.45 2 223.6 569.3 20 -1 -1 3 14.797 29.593 0.143 27.85 2 55.0 33.7 21 -1 1 3 14.836 29.672 0.143 27.69 2 27.2 8.2 22 0 -2 3 15.625 31.251 0.151 24.77 2 48.5 23.3 23 0 2 3 15.715 31.43 0.151 24.47 2 29.6 8.6 24 1 -1 3 16.556 33.112 0.159 21.86 2 60.9 32.5 25 1 1 3 16.606 33.212 0.16 21.72 2 3.4 0.1 26 -1 -1 4 17.504 35.008 0.168 19.37 2 12.5 1.2 27 -1 1 4 17.551 35.103 0.169 19.25 2 57.9 25.9 28 0 0 5 18.429 36.857 0.177 17.3 2 116.0 93.3 29 0 -2 4 18.472 36.945 0.177 17.21 2 51.1 18.0 30 0 2 4 18.576 37.152 0.178 17.0 2 47.1 15.1 31 -1 3 0 19.487 38.975 0.186 15.29 2 49.9 15.2 32 -2 0 1 19.5 38.999 0.187 15.27 2 35.1 7.5 33 1 3 0 19.506 39.013 0.187 15.26 2 46.4 13.2 34 1 -1 4 19.532 39.065 0.187 15.21 2 16.5 1.7 35 1 1 4 19.588 39.176 0.187 15.12 2 42.7 11.0 36 -1 -3 1 19.608 39.216 0.188 15.08 2 51.3 15.9 37 2 0 0 19.622 39.244 0.188 15.06 2 38.9 9.1 38 -1 3 1 19.626 39.252 0.188 15.05 2 50.9 15.6 39 1 -3 1 20.069 40.138 0.192 14.33 2 164.9 156.0 40 -2 0 2 20.097 40.194 0.192 14.28 2 158.4 143.5 41 1 3 1 20.124 40.248 0.192 14.24 2 151.9 131.5 42 -1 -3 2 20.42 40.84 0.195 13.78 2 135.2 100.8 43 2 0 1 20.454 40.908 0.195 13.73 2 126.9 88.5 44 -1 3 2 20.473 40.946 0.196 13.7 2 135.6 100.9 45 -1 -1 5 20.592 41.184 0.197 13.53 2 69.1 25.9 46 -1 1 5 20.645 41.29 0.197 13.45 2 19.7 2.1 47 1 -3 2 21.322 42.645 0.203 12.51 2 143.7 103.4 48 -2 0 3 21.364 42.728 0.204 12.46 2 141.7 100.1 49 1 3 2 21.409 42.818 0.204 12.4 2 136.2 92.0 50 0 -2 5 21.66 43.32 0.206 12.08 2 36.9 6.6 51 0 2 5 21.773 43.547 0.207 11.94 2 35.6 6.1 52 -1 -3 3 21.877 43.754 0.208 11.81 2 142.3 95.7 53 2 0 2 21.928 43.856 0.209 11.75 2 159.1 119.1 54 -1 3 3 21.961 43.922 0.209 11.71 2 149.8 105.2 55 0 0 6 22.293 44.587 0.212 11.32 2 25.4 2.9 56 0 4 0 22.618 45.237 0.215 10.96 2 25.3 2.8 57 -2 2 1 22.658 45.315 0.215 10.91 2 17.0 1.3 58 -2 -2 1 22.658 45.316 0.215 10.91 2 45.6 9.1 59 -2 2 0 22.755 45.51 0.216 10.81 2 1.0 0.0 60 2 2 0 22.778 45.555 0.216 10.78 2 6.9 0.2 61 1 -1 5 22.816 45.632 0.217 10.74 2 33.9 5.0 62 1 1 5 22.876 45.752 0.217 10.68 2 45.4 8.8 63 0 -4 1 22.917 45.835 0.218 10.64 2 21.6 2.0 64 0 4 1 22.961 45.922 0.218 10.59 2 2.0 0.0 65 1 -3 3 23.159 46.318 0.22 10.39 2 138.1 79.4 66 -2 -2 2 23.178 46.356 0.22 10.37 2 19.7 1.6 67 -2 2 2 23.199 46.398 0.22 10.35 2 29.9 3.7 68 -2 0 4 23.212 46.424 0.22 10.33 2 135.2 75.7 69 1 3 3 23.272 46.545 0.221 10.27 2 138.9 79.3 70 2 -2 1 23.486 46.972 0.223 10.06 2 13.1 0.7 71 2 2 1 23.529 47.058 0.223 10.02 2 13.2 0.7 72 0 -4 2 23.839 47.679 0.226 9.73 2 11.6 0.5 73 -1 -3 4 23.885 47.77 0.226 9.68 2 9.2 0.3 74 0 4 2 23.924 47.847 0.227 9.65 2 14.9 0.9 75 2 0 3 23.95 47.901 0.227 9.62 2 17.3 1.2 76 -1 -1 6 23.961 47.922 0.227 9.61 2 21.3 1.7 77 -1 3 4 23.995 47.99 0.227 9.58 2 11.0 0.5 78 -1 1 6 24.018 48.037 0.228 9.56 2 17.0 1.1 79 -2 -2 3 24.306 48.611 0.23 9.31 2 8.1 0.2 80 -2 2 3 24.346 48.693 0.23 9.27 2 28.4 3.0 81 2 -2 2 24.806 49.612 0.235 8.89 2 51.7 9.5 82 2 2 2 24.868 49.736 0.235 8.84 2 0.1 0.0 83 0 -2 6 25.109 50.218 0.237 8.64 2 24.0 2.0 84 0 2 6 25.231 50.461 0.238 8.55 2 39.2 5.3 85 0 -4 3 25.332 50.665 0.239 8.47 2 19.9 1.3 86 0 4 3 25.453 50.906 0.24 8.38 2 16.0 0.9 87 1 -3 4 25.484 50.968 0.241 8.36 2 61.8 12.8 88 -2 0 5 25.547 51.093 0.241 8.31 2 62.5 13.0 89 1 3 4 25.62 51.239 0.242 8.26 2 61.8 12.6 90 -2 -2 4 25.982 51.963 0.245 8.0 2 5.2 0.1 91 -2 2 4 26.04 52.081 0.245 7.96 2 9.4 0.3 92 0 0 7 26.268 52.537 0.247 7.8 2 75.3 17.7 93 1 -1 6 26.345 52.691 0.248 7.75 2 35.0 3.8 94 -1 -3 5 26.353 52.706 0.248 7.74 2 228.2 161.5 95 1 1 6 26.409 52.818 0.249 7.71 2 14.9 0.7 96 2 0 4 26.43 52.86 0.249 7.69 2 208.4 133.7 97 -1 3 5 26.484 52.969 0.249 7.66 2 216.8 144.1 98 2 -2 3 26.652 53.305 0.251 7.55 2 28.4 2.4 99 2 2 3 26.731 53.461 0.251 7.5 2 73.5 16.2 100 0 -4 4 27.33 54.659 0.257 7.13 2 9.2 0.2 101 0 4 4 27.482 54.964 0.258 7.04 2 52.2 7.7 102 -1 -1 7 27.566 55.132 0.259 6.99 2 10.9 0.3 103 -1 1 7 27.627 55.255 0.259 6.95 2 46.4 6.0 104 -2 -2 5 28.138 56.277 0.264 6.67 2 52.7 7.4 105 -2 2 5 28.213 56.425 0.264 6.63 2 37.5 3.7 106 1 -3 5 28.218 56.437 0.264 6.63 2 151.9 61.2 107 -2 0 6 28.289 56.577 0.265 6.59 2 156.0 64.2 108 1 3 5 28.373 56.746 0.266 6.55 2 152.3 60.8 109 0 -2 7 28.787 57.574 0.269 6.33 2 2.2 0.0 110 0 2 7 28.916 57.832 0.27 6.27 2 13.8 0.5 111 2 -2 4 28.958 57.915 0.271 6.25 2 24.6 1.5 112 2 2 4 29.05 58.1 0.271 6.21 2 14.1 0.5 113 -1 -3 6 29.209 58.418 0.273 6.13 2 99.4 24.3 114 2 0 5 29.297 58.593 0.274 6.09 2 98.3 23.6 115 -1 3 6 29.359 58.718 0.274 6.06 2 108.0 28.3 116 0 -4 5 29.767 59.534 0.278 5.88 2 51.4 6.2 117 0 4 5 29.947 59.895 0.279 5.8 2 31.6 2.3 118 1 -1 7 30.1 60.2 0.28 5.73 2 21.8 1.1 119 1 1 7 30.168 60.335 0.281 5.7 2 11.5 0.3 120 0 0 8 30.384 60.769 0.283 5.61 2 21.9 1.1 121 -3 1 1 30.587 61.174 0.284 5.53 2 26.3 1.5 122 -3 -1 1 30.592 61.183 0.284 5.53 2 4.5 0.0 123 -1 5 0 30.6 61.201 0.285 5.52 2 22.0 1.1 124 -2 4 1 30.613 61.226 0.285 5.52 2 35.4 2.8 125 -2 -4 1 30.614 61.229 0.285 5.52 2 18.7 0.8 126 1 5 0 30.623 61.247 0.285 5.51 2 62.7 8.7 127 -2 4 0 30.684 61.367 0.285 5.49 2 24.4 1.3 128 -1 -5 1 30.688 61.375 0.285 5.49 2 5.4 0.1 129 -1 5 1 30.709 61.418 0.285 5.48 2 60.9 8.1 130 -2 -2 6 30.716 61.432 0.286 5.48 2 18.5 0.8 131 2 4 0 30.72 61.44 0.286 5.48 2 44.8 4.4 132 -2 2 6 30.804 61.608 0.286 5.44 2 32.8 2.3 133 -3 1 0 30.845 61.69 0.287 5.43 2 11.1 0.3 134 -3 -1 2 30.846 61.693 0.287 5.43 2 50.0 5.4 135 -3 1 2 30.85 61.701 0.287 5.43 2 63.8 8.8 136 3 1 0 30.859 61.717 0.287 5.42 2 55.5 6.7 137 1 -5 1 31.013 62.025 0.288 5.36 2 15.2 0.5 138 -2 -4 2 31.029 62.058 0.288 5.36 2 34.8 2.6 139 -2 4 2 31.063 62.127 0.288 5.34 2 11.9 0.3 140 1 5 1 31.079 62.159 0.289 5.34 2 1.0 0.0 141 -1 -5 2 31.27 62.541 0.29 5.27 2 26.1 1.4 142 2 -4 1 31.273 62.545 0.29 5.26 2 45.6 4.4 143 1 -3 6 31.307 62.615 0.29 5.25 2 57.3 6.9 144 -1 5 2 31.336 62.671 0.291 5.24 2 20.6 0.9 145 2 4 1 31.344 62.688 0.291 5.24 2 45.6 4.4 146 -2 0 7 31.385 62.769 0.291 5.22 2 55.9 6.5 147 -1 -1 8 31.395 62.79 0.291 5.22 2 41.0 3.5 148 -1 1 8 31.46 62.921 0.292 5.2 2 2.6 0.0 149 1 3 6 31.478 62.957 0.292 5.19 2 58.0 7.0 150 -3 -1 3 31.615 63.23 0.293 5.14 2 56.2 6.5 151 3 -1 1 31.617 63.234 0.293 5.14 2 47.1 4.6 152 -3 1 3 31.628 63.256 0.293 5.14 2 4.4 0.0 153 3 1 1 31.639 63.279 0.293 5.13 2 12.9 0.3 154 2 -2 5 31.667 63.334 0.293 5.12 2 40.6 3.4 155 2 2 5 31.772 63.544 0.294 5.08 2 24.4 1.2 156 1 -5 2 31.934 63.869 0.296 5.03 2 50.4 5.1 157 -2 -4 3 31.953 63.907 0.296 5.02 2 7.2 0.1 158 -2 4 3 32.022 64.043 0.296 5.0 2 51.1 5.2 159 1 5 2 32.043 64.087 0.297 4.99 2 8.3 0.1 160 -1 -5 3 32.356 64.712 0.299 4.89 2 40.3 3.2 161 2 -4 2 32.364 64.728 0.299 4.88 2 33.2 2.2 162 -1 -3 7 32.407 64.815 0.3 4.87 2 119.8 28.0 163 -1 5 3 32.463 64.926 0.3 4.85 2 46.5 4.2 164 2 4 2 32.468 64.937 0.3 4.85 2 17.9 0.6 165 2 0 6 32.505 65.009 0.3 4.84 2 134.9 35.2 166 -1 3 7 32.575 65.149 0.301 4.82 2 119.0 27.3 167 0 -4 6 32.594 65.189 0.301 4.81 2 21.3 0.9 168 0 -2 8 32.691 65.383 0.302 4.78 2 56.4 6.1 169 0 4 6 32.8 65.6 0.303 4.75 2 22.9 1.0 170 0 2 8 32.828 65.657 0.303 4.74 2 8.4 0.1 171 -3 -1 4 32.878 65.756 0.303 4.72 2 22.6 1.0 172 3 -1 2 32.883 65.767 0.303 4.72 2 27.0 1.4 173 -3 1 4 32.899 65.798 0.304 4.72 2 15.0 0.4 174 3 1 2 32.914 65.827 0.304 4.71 2 68.2 8.8 175 1 -5 3 33.342 66.685 0.307 4.58 2 23.4 1.0 176 -2 -4 4 33.364 66.727 0.307 4.58 2 64.1 7.5 177 -2 4 4 33.464 66.928 0.308 4.55 2 25.4 1.2 178 1 5 3 33.491 66.983 0.308 4.54 2 22.1 0.9 179 -2 -2 7 33.671 67.341 0.31 4.49 2 25.6 1.2 180 -2 2 7 33.771 67.543 0.311 4.46 2 49.4 4.4 181 -1 -5 4 33.919 67.838 0.312 4.42 2 32.0 1.8 182 2 -4 3 33.933 67.865 0.312 4.42 2 18.2 0.6 183 -1 5 4 34.065 68.13 0.313 4.38 2 22.1 0.9 184 2 4 3 34.068 68.136 0.313 4.38 2 29.1 1.5 185 1 -1 8 34.086 68.171 0.313 4.38 2 1.0 0.0 186 1 1 8 34.157 68.314 0.314 4.36 2 1.4 0.0 187 -3 -1 5 34.608 69.216 0.317 4.24 2 35.4 2.1 188 3 -1 3 34.616 69.233 0.318 4.24 2 42.9 3.1 189 -3 1 5 34.637 69.274 0.318 4.23 2 11.8 0.2 190 3 1 3 34.654 69.308 0.318 4.23 2 56.2 5.4 191 0 0 9 34.682 69.364 0.318 4.22 2 57.4 5.6 192 1 -3 7 34.723 69.445 0.318 4.21 2 214.9 77.9 193 2 -2 6 34.743 69.486 0.319 4.21 2 40.9 2.8 194 -2 0 8 34.807 69.614 0.319 4.19 2 216.7 78.8 195 2 2 6 34.86 69.72 0.32 4.18 2 25.5 1.1 196 1 3 7 34.91 69.82 0.32 4.17 2 220.9 81.4 197 1 -5 4 35.209 70.418 0.322 4.1 2 22.6 0.8 198 0 6 0 35.232 70.464 0.322 4.09 2 286.1 134.1 199 -2 -4 5 35.232 70.464 0.322 4.09 2 35.8 2.1 200 -3 3 1 35.232 70.464 0.322 4.09 2 275.2 124.0 201 -3 -3 1 35.246 70.491 0.323 4.09 2 279.0 127.4 202 -2 4 5 35.363 70.727 0.324 4.06 2 17.5 0.5 203 1 5 4 35.395 70.791 0.324 4.05 2 33.4 1.8 204 0 -6 1 35.45 70.9 0.324 4.04 2 25.0 1.0 205 -1 -1 9 35.462 70.924 0.324 4.04 2 6.4 0.1 206 -3 3 0 35.464 70.928 0.324 4.04 2 27.1 1.2 207 -3 -3 2 35.474 70.949 0.324 4.03 2 20.6 0.7 208 -3 3 2 35.486 70.971 0.324 4.03 2 25.2 1.0 209 0 6 1 35.499 70.999 0.325 4.03 2 30.3 1.5 210 3 3 0 35.502 71.005 0.325 4.03 2 31.8 1.6 211 -1 1 9 35.532 71.064 0.325 4.02 2 13.2 0.3 212 0 -4 7 35.782 71.564 0.327 3.97 2 33.4 1.8 213 -1 -3 8 35.929 71.858 0.328 3.93 2 56.3 5.0 214 -1 -5 5 35.931 71.862 0.328 3.93 2 34.3 1.8 215 2 -4 4 35.95 71.9 0.328 3.93 2 32.3 1.6 216 0 4 7 36.012 72.023 0.329 3.92 2 44.5 3.1 217 2 0 7 36.035 72.07 0.329 3.91 2 56.8 5.1 218 -1 3 8 36.113 72.225 0.329 3.9 2 60.2 5.7 219 -1 5 5 36.115 72.229 0.329 3.9 2 52.1 4.2 220 2 4 4 36.115 72.23 0.329 3.9 2 9.1 0.1 221 0 -6 2 36.149 72.299 0.33 3.89 2 131.7 27.0 222 3 -3 1 36.177 72.355 0.33 3.88 2 138.5 29.8 223 -3 -3 3 36.184 72.369 0.33 3.88 2 138.6 29.8 224 -3 3 3 36.22 72.44 0.33 3.87 2 145.8 33.0 225 3 3 1 36.24 72.479 0.33 3.87 2 135.3 28.4 226 0 6 2 36.247 72.495 0.331 3.87 2 135.3 28.4 227 -3 -1 6 36.778 73.556 0.335 3.76 2 9.1 0.1 228 3 -1 4 36.789 73.578 0.335 3.76 2 34.1 1.8 229 -3 1 6 36.814 73.628 0.335 3.76 2 39.6 2.4 230 3 1 4 36.834 73.668 0.335 3.75 2 21.3 0.7 231 0 -2 9 36.843 73.685 0.335 3.75 2 16.0 0.4 232 -2 -2 8 36.981 73.961 0.336 3.72 2 1.3 0.0 233 0 2 9 36.989 73.977 0.336 3.72 2 46.8 3.3 234 -2 2 8 37.094 74.187 0.337 3.7 2 31.5 1.5 235 0 -6 3 37.32 74.639 0.339 3.66 2 54.5 4.4 236 3 -3 2 37.361 74.722 0.339 3.65 2 61.4 5.5 237 -3 -3 4 37.365 74.73 0.339 3.65 2 46.1 3.1 238 -3 3 4 37.424 74.848 0.34 3.64 2 42.3 2.6 239 3 3 2 37.447 74.894 0.34 3.64 2 60.6 5.3 240 0 6 3 37.465 74.93 0.34 3.64 2 46.1 3.1 241 1 -5 5 37.508 75.017 0.34 3.63 2 20.0 0.6 242 -2 -4 6 37.533 75.067 0.341 3.62 2 24.3 0.9 243 -2 4 6 37.694 75.387 0.342 3.6 2 46.5 3.1 244 1 5 5 37.731 75.461 0.342 3.59 2 8.8 0.1 245 2 -2 7 38.172 76.345 0.345 3.52 2 58.8 4.9 246 2 2 7 38.301 76.602 0.346 3.5 2 65.2 5.9 247 1 -1 9 38.33 76.661 0.347 3.49 2 4.6 0.0 248 -1 -5 6 38.369 76.739 0.347 3.48 2 1.3 0.0 249 2 -4 5 38.394 76.787 0.347 3.48 2 3.1 0.0 250 1 1 9 38.407 76.813 0.347 3.48 2 29.2 1.2 251 1 -3 8 38.462 76.924 0.348 3.47 2 42.4 2.5 252 -2 0 9 38.554 77.107 0.348 3.46 2 31.5 1.4 253 2 4 5 38.586 77.173 0.349 3.45 2 15.0 0.3 254 -1 5 6 38.589 77.177 0.349 3.45 2 24.8 0.8 255 1 3 8 38.666 77.332 0.349 3.44 2 39.2 2.1 256 0 -6 4 38.946 77.892 0.351 3.4 2 111.6 16.9 257 3 -3 3 39.0 78.001 0.352 3.39 2 99.2 13.3 258 -3 -3 5 39.001 78.002 0.352 3.39 2 109.0 16.1 259 -3 3 5 39.084 78.167 0.352 3.38 2 107.7 15.7 260 3 3 3 39.109 78.218 0.353 3.37 2 104.6 14.8 261 0 6 4 39.137 78.275 0.353 3.37 2 116.6 18.3 262 0 0 10 39.216 78.433 0.353 3.36 2 152.1 31.1 263 0 -4 8 39.323 78.646 0.354 3.34 2 39.2 2.1 264 -3 -1 7 39.368 78.736 0.355 3.34 2 33.9 1.5 265 3 -1 5 39.382 78.764 0.355 3.34 2 23.2 0.7 266 -3 1 7 39.411 78.823 0.355 3.33 2 14.6 0.3 267 3 1 5 39.434 78.868 0.355 3.33 2 25.6 0.9 268 0 4 8 39.577 79.154 0.356 3.31 2 32.7 1.4 269 -1 -3 9 39.78 79.559 0.358 3.28 2 243.6 78.0 270 -1 -1 10 39.803 79.606 0.358 3.28 2 18.5 0.4 271 -1 1 10 39.878 79.757 0.358 3.27 2 24.4 0.8 272 2 0 8 39.896 79.791 0.359 3.27 2 226.7 67.3 273 -1 3 9 39.981 79.962 0.359 3.26 2 239.4 74.7 274 1 -5 6 40.225 80.449 0.361 3.23 2 18.2 0.4 275 -2 -4 7 40.251 80.503 0.361 3.22 2 51.0 3.4 276 -2 4 7 40.44 80.88 0.363 3.2 2 11.5 0.2 277 1 5 6 40.482 80.963 0.363 3.2 2 15.0 0.3 278 -2 -2 9 40.648 81.295 0.364 3.18 2 55.4 3.9 279 -2 2 9 40.773 81.547 0.365 3.16 2 20.3 0.5 280 0 -6 5 41.016 82.033 0.367 3.14 2 52.8 3.5 281 -3 -3 6 41.081 82.162 0.367 3.13 2 50.9 3.3 282 3 -3 4 41.083 82.166 0.367 3.13 2 58.0 4.2 283 -3 3 6 41.186 82.372 0.368 3.12 2 55.8 3.9 284 3 3 4 41.214 82.428 0.368 3.12 2 65.4 5.3 285 -1 -5 7 41.222 82.445 0.368 3.11 2 45.4 2.6 286 2 -4 6 41.251 82.503 0.369 3.11 2 14.8 0.3 287 0 6 5 41.252 82.504 0.369 3.11 2 61.9 4.8 288 0 -2 10 41.286 82.572 0.369 3.11 2 3.3 0.0 289 0 2 10 41.443 82.886 0.37 3.09 2 7.2 0.1 290 2 4 6 41.472 82.945 0.37 3.09 2 41.7 2.2 291 -1 5 7 41.477 82.954 0.37 3.09 2 14.1 0.2 292 -2 6 1 41.797 83.594 0.373 3.06 2 5.5 0.0 293 -2 -6 1 41.798 83.596 0.373 3.06 2 0.3 0.0 294 -4 0 1 41.807 83.615 0.373 3.06 2 27.3 0.9 295 -2 6 0 41.851 83.702 0.373 3.05 2 7.3 0.1 296 -4 0 2 41.882 83.764 0.373 3.05 2 4.4 0.0 297 2 6 0 41.9 83.799 0.373 3.05 2 2.3 0.0 298 2 -2 8 41.965 83.931 0.374 3.04 2 4.8 0.0 299 2 2 8 42.107 84.214 0.375 3.03 2 43.2 2.3 300 -2 -6 2 42.158 84.315 0.375 3.02 2 161.3 31.5 301 4 0 0 42.193 84.386 0.375 3.02 2 176.1 37.5 302 -2 6 2 42.203 84.406 0.376 3.02 2 161.3 31.5 303 2 -6 1 42.366 84.732 0.377 3.01 2 77.1 7.2 304 -3 -1 8 42.373 84.745 0.377 3.01 2 20.6 0.5 305 3 -1 6 42.39 84.779 0.377 3.0 2 0.0 0.0 306 -4 0 3 42.417 84.835 0.377 3.0 2 93.9 10.6 307 -3 1 8 42.423 84.846 0.377 3.0 2 6.7 0.1 308 3 1 6 42.449 84.897 0.377 3.0 2 13.9 0.2 309 2 6 1 42.461 84.922 0.377 3.0 2 67.7 5.5 310 1 -3 9 42.551 85.102 0.378 2.99 2 70.4 5.9 311 -2 0 10 42.65 85.301 0.379 2.98 2 81.4 7.9 312 1 3 9 42.774 85.548 0.38 2.97 2 70.1 5.9 313 1 -1 10 42.89 85.779 0.38 2.96 2 32.9 1.3 314 1 1 10 42.972 85.943 0.381 2.96 2 26.1 0.8 315 -2 -6 3 42.976 85.952 0.381 2.96 2 120.9 17.3 316 4 0 1 43.038 86.076 0.382 2.95 2 99.2 11.6 317 -2 6 3 43.068 86.136 0.382 2.95 2 109.0 14.0 318 0 -4 9 43.237 86.474 0.383 2.94 2 35.6 1.5 319 2 -6 2 43.339 86.677 0.384 2.93 2 163.1 31.2 320 1 -5 7 43.357 86.714 0.384 2.93 2 3.6 0.0 321 -2 -4 8 43.386 86.772 0.384 2.93 2 12.4 0.2 322 -4 0 4 43.41 86.821 0.384 2.92 2 156.0 28.5 323 2 6 2 43.481 86.961 0.385 2.92 2 161.5 30.5 324 0 4 9 43.518 87.036 0.385 2.92 2 61.8 4.5 325 0 -6 6 43.524 87.049 0.385 2.92 2 74.2 6.4 326 -3 -3 7 43.599 87.197 0.385 2.91 2 78.0 7.1 327 -2 4 8 43.603 87.207 0.386 2.91 2 35.4 1.5 328 3 -3 5 43.604 87.208 0.386 2.91 2 83.6 8.1 329 1 5 7 43.65 87.3 0.386 2.91 2 5.2 0.0 330 -3 3 7 43.726 87.452 0.386 2.9 2 83.1 8.0 331 3 3 5 43.757 87.514 0.387 2.9 2 79.8 7.4 332 0 6 6 43.805 87.61 0.387 2.9 2 74.3 6.4 333 -3 5 1 43.89 87.781 0.388 2.89 2 5.2 0.0 334 -1 7 0 43.907 87.814 0.388 2.89 2 25.6 0.8 335 -3 -5 1 43.912 87.824 0.388 2.89 2 39.5 1.8 336 -4 2 1 43.924 87.848 0.388 2.89 2 28.9 1.0 337 1 7 0 43.935 87.87 0.388 2.89 2 65.4 4.9 338 -4 -2 1 43.941 87.881 0.388 2.89 2 59.7 4.1 339 -1 -7 1 43.984 87.967 0.388 2.89 2 28.4 0.9 340 -1 -3 10 43.995 87.99 0.388 2.88 2 82.2 7.8 341 -4 2 2 44.006 88.013 0.388 2.88 2 57.4 3.8 342 -4 -2 2 44.007 88.015 0.388 2.88 2 18.8 0.4 343 -1 7 1 44.01 88.02 0.388 2.88 2 41.3 2.0 344 0 0 11 44.065 88.13 0.389 2.88 2 24.1 0.7 345 -3 5 0 44.102 88.203 0.389 2.88 2 48.6 2.7 346 -3 -5 2 44.12 88.24 0.389 2.88 2 56.7 3.7 347 2 0 9 44.123 88.245 0.389 2.88 2 76.8 6.8 348 -3 5 2 44.138 88.275 0.389 2.88 2 45.9 2.4 349 3 5 0 44.162 88.324 0.389 2.87 2 6.9 0.1 350 -1 3 10 44.217 88.433 0.39 2.87 2 79.4 7.2 351 -2 -6 4 44.251 88.502 0.39 2.87 2 77.7 6.9 352 1 -7 1 44.262 88.524 0.39 2.87 2 53.2 3.2 353 -4 2 0 44.3 88.601 0.39 2.87 2 13.0 0.2 354 4 2 0 44.332 88.665 0.391 2.86 2 10.4 0.1 355 4 0 2 44.339 88.679 0.391 2.86 2 51.1 3.0 356 1 7 1 44.345 88.689 0.391 2.86 2 12.7 0.2 357 -2 6 4 44.39 88.78 0.391 2.86 2 66.5 5.1 358 -1 -1 11 44.484 88.969 0.392 2.86 2 22.3 0.6 359 -1 -7 2 44.49 88.981 0.392 2.86 2 46.9 2.5 360 -1 -5 8 44.496 88.992 0.392 2.85 2 7.1 0.1 361 2 -4 7 44.53 89.061 0.392 2.85 2 41.0 1.9 362 -4 -2 3 44.532 89.064 0.392 2.85 2 7.9 0.1 363 -4 2 3 44.547 89.093 0.392 2.85 2 1.7 0.0 364 -1 1 11 44.566 89.132 0.392 2.85 2 10.3 0.1 365 -1 7 2 44.571 89.143 0.392 2.85 2 29.7 1.0 366 -2 -2 10 44.702 89.404 0.393 2.84 2 7.2 0.1 367 2 -6 3 44.768 89.536 0.394 2.84 2 14.8 0.3 368 3 -5 1 44.771 89.542 0.394 2.84 2 2.9 0.0 369 2 4 7 44.781 89.561 0.394 2.84 2 17.0 0.3 370 -3 -5 3 44.786 89.572 0.394 2.84 2 15.5 0.3 371 -1 5 8 44.788 89.575 0.394 2.84 2 46.6 2.5 372 -2 2 10 44.842 89.683 0.394 2.84 2 55.6 3.5 373 -3 5 3 44.843 89.686 0.394 2.84 2 34.5 1.4 374 -4 0 5 44.86 89.72 0.394 2.84 2 20.9 0.5 375 3 5 1 44.87 89.74 0.394 2.83 2 48.3 2.6 376 2 6 3 44.956 89.912 0.395 2.83 2 0.7 0.0 X-ray diffraction powder data (I)...X-Ray wave length = 1.78892 (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 1 3.625 7.25 14.14727 644.4 62.6 62.8 5.5 2 0 0 2 7.264 14.529 7.07363 1030.0 100.0 100.0 5.6 3 0 0 3 10.934 21.868 4.71575 252.5 24.5 24.4 5.6 4 -1 1 0 11.151 22.302 4.62498 205.8 20.0 19.9 5.6 5 -1 -1 1 11.35 22.699 4.54513 112.6 10.9 10.9 5.6 6 0 -2 1 11.659 23.318 4.42611 113.0 11.0 10.9 5.6 7 0 2 1 11.698 23.397 4.41145 25.4 2.5 2.5 5.6 8 1 -1 1 12.109 24.218 4.2639 34.4 3.3 3.3 5.6 9 -1 1 2 12.68 25.359 4.07497 77.9 7.6 7.5 5.6 10 0 2 2 13.34 26.681 3.87655 62.6 6.1 6.0 5.6 11 1 1 2 14.051 28.102 3.68414 62.8 6.1 6.0 5.6 12 0 0 4 14.649 29.298 3.53682 569.3 55.3 54.7 5.6 13 -1 -1 3 14.797 29.593 3.50232 33.7 3.3 3.2 5.6 14 0 -2 3 15.625 31.251 3.32088 23.3 2.3 2.2 5.6 15 1 -1 3 16.556 33.112 3.13901 32.5 3.2 3.1 5.6 16 -1 1 4 17.551 35.103 2.96611 25.9 2.5 2.5 5.7 17 0 0 5 18.429 36.857 2.82945 93.3 9.1 8.9 5.7 18 0 -2 4 18.472 36.945 2.823 18.0 1.7 1.7 5.7 19 0 2 4 18.576 37.152 2.80783 15.1 1.5 1.4 5.7 20 -1 3 0 19.487 38.975 2.68125 35.9 3.5 3.4 5.7 21 -1 -3 1 19.608 39.216 2.66537 51.6 5.0 4.9 5.7 22 1 -3 1 20.069 40.138 2.60658 299.5 29.1 28.5 5.7 23 1 3 1 20.124 40.248 2.59977 131.5 12.8 12.5 5.7 24 -1 -3 2 20.42 40.84 2.56364 100.8 9.8 9.6 5.7 25 -1 3 2 20.473 40.946 2.55729 189.4 18.4 18.0 5.7 26 -1 -1 5 20.592 41.184 2.54318 25.9 2.5 2.5 5.7 27 1 -3 2 21.322 42.645 2.4599 103.4 10.0 9.8 5.7 28 -2 0 3 21.364 42.728 2.45535 100.1 9.7 9.5 5.7 29 1 3 2 21.409 42.818 2.45041 92.0 8.9 8.7 5.7 30 -1 -3 3 21.877 43.754 2.40049 95.7 9.3 9.1 5.7 31 2 0 2 21.928 43.856 2.39519 119.1 11.6 11.3 5.7 32 -1 3 3 21.961 43.922 2.39178 105.2 10.2 10.0 5.7 33 -2 -2 1 22.658 45.316 2.32187 10.3 1.0 1.0 5.7 34 1 -3 3 23.159 46.318 2.27433 81.0 7.9 7.7 5.7 35 -2 0 4 23.212 46.424 2.26943 79.4 7.7 7.5 5.7 36 1 3 3 23.272 46.545 2.26386 79.3 7.7 7.5 5.7 37 1 -3 4 25.484 50.968 2.07887 12.8 1.2 1.2 5.8 38 -2 0 5 25.547 51.093 2.07414 13.0 1.3 1.2 5.8 39 1 3 4 25.62 51.239 2.06861 12.6 1.2 1.2 5.8 40 0 0 7 26.268 52.537 2.02104 17.7 1.7 1.7 5.8 41 -1 -3 5 26.353 52.706 2.01501 165.3 16.0 15.5 5.8 42 2 0 4 26.43 52.86 2.00954 133.7 13.0 12.5 5.8 43 -1 3 5 26.484 52.969 2.00573 144.1 14.0 13.5 5.8 44 2 2 3 26.731 53.461 1.98859 16.2 1.6 1.5 5.8 45 1 -3 5 28.218 56.437 1.8917 64.9 6.3 6.1 5.8 46 -2 0 6 28.289 56.577 1.88739 64.2 6.2 6.0 5.8 47 1 3 5 28.373 56.746 1.88226 60.8 5.9 5.7 5.8 48 -1 -3 6 29.209 58.418 1.83293 24.3 2.4 2.3 5.8 49 2 0 5 29.297 58.593 1.82793 23.6 2.3 2.2 5.8 50 -1 3 6 29.359 58.718 1.82438 28.3 2.7 2.6 5.8 51 1 5 0 30.623 61.247 1.75594 14.9 1.4 1.4 5.8 52 -1 5 1 30.709 61.418 1.75151 13.9 1.4 1.3 5.8 53 3 1 0 30.859 61.717 1.74385 21.0 2.0 1.9 5.8 54 -3 -1 3 31.615 63.23 1.7063 11.4 1.1 1.1 5.9 55 -1 -3 7 32.407 64.815 1.66897 28.0 2.7 2.6 5.9 56 2 0 6 32.505 65.009 1.66452 35.2 3.4 3.2 5.9 57 -1 3 7 32.575 65.149 1.66134 28.2 2.7 2.6 5.9 58 0 0 9 34.682 69.364 1.57192 10.9 1.1 1.0 5.9 59 1 -3 7 34.723 69.445 1.57032 80.7 7.8 7.4 5.9 60 -2 0 8 34.807 69.614 1.56699 78.8 7.7 7.2 5.9 61 1 3 7 34.91 69.82 1.56295 81.4 7.9 7.4 5.9 62 0 6 0 35.232 70.464 1.55049 387.5 37.6 35.4 5.9 63 3 -3 1 36.177 72.355 1.5153 86.7 8.4 7.9 5.9 64 -3 3 3 36.22 72.44 1.51376 89.7 8.7 8.2 5.9 65 3 3 2 37.447 74.894 1.47109 11.0 1.1 1.0 6.0 66 0 -6 4 38.946 77.892 1.42296 16.9 1.6 1.5 6.0 67 -3 -3 5 39.001 78.002 1.42128 29.5 2.9 2.7 6.0 68 -3 3 5 39.084 78.167 1.41875 30.5 3.0 2.7 6.0 69 0 6 4 39.137 78.275 1.41712 18.3 1.8 1.6 6.0 70 0 0 10 39.216 78.433 1.41473 31.1 3.0 2.8 6.0 71 -1 -3 9 39.78 79.559 1.39795 78.4 7.6 7.0 6.0 72 2 0 8 39.896 79.791 1.39456 67.3 6.5 6.0 6.0 73 -1 3 9 39.981 79.962 1.39208 74.7 7.3 6.7 6.0 74 -2 -6 2 42.158 84.315 1.33268 31.5 3.1 2.8 6.1 75 4 0 0 42.193 84.386 1.33177 69.0 6.7 6.1 6.1 76 -4 0 3 42.417 84.835 1.32606 10.6 1.0 0.9 6.1 77 -2 -6 3 42.976 85.952 1.31212 17.3 1.7 1.5 6.1 78 -2 6 3 43.068 86.136 1.30986 25.6 2.5 2.3 6.1 79 2 -6 2 43.339 86.677 1.30329 31.2 3.0 2.7 6.1 80 -4 0 4 43.41 86.821 1.30156 28.5 2.8 2.5 6.1 81 2 6 2 43.481 86.961 1.29988 30.5 3.0 2.7 6.1 82 0 -6 6 43.524 87.049 1.29883 10.9 1.1 1.0 6.1 83 3 -3 5 43.604 87.208 1.29694 16.7 1.6 1.5 6.2 84 -4 -2 1 43.941 87.881 1.28901 11.8 1.1 1.0 6.2 85 -1 -3 10 43.995 87.99 1.28774 14.0 1.4 1.2 6.2 86 2 0 9 44.123 88.245 1.28478 15.7 1.5 1.4 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) |