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 *** *********************** KAOLINITE 2, f-kaolinite-halloysite, sf-kaolinite Al(2)Si(2)O(5)(OH)(4) Triclinic C 1 Z = 2 R =0.12 20 .11 .1992 Ref.Str.: Collins D.R., Catlow C.R.A. (1991) * Acta Cryst., B 47, 678-682 Initial data from BDM-file Lattice parameters (cub. angs.,degr.): a = 5.1554 alpha = 91.7 b = 8.9448 beta = 104.86 c = 7.4048 gamma = 89.82 Unit cell volume (cub. angs.) = 329.89 Molar volume ( cub.cm/mol.) = 99.35 Co-ordinates, thermal parameters, occupation for atomic positions: NoP x/a y/b z/c B(j) atom / occupation 1 0.0501 0.3539 0.317 0.0 O = 1.00 2 0.1214 0.6604 0.3175 0.0 O = 1.00 3 0.0 0.5 0.0 0.0 O = 1.00 4 0.2085 0.2305 0.0247 0.0 O = 1.00 5 0.2012 0.7657 0.0032 0.0 O = 1.00 6 0.051 0.9698 0.322 0.0 OH = 1.00 7 0.9649 0.1665 0.6051 0.0 OH = 1.00 8 0.0348 0.4769 0.608 0.0 OH = 1.00 9 0.0334 0.857 0.6094 0.0 OH = 1.00 10 0.2971 0.4957 0.4721 0.0 Al = 1.00 11 0.7926 0.33 0.4699 0.0 Al = 1.00 12 0.9942 0.3393 0.0909 0.0 Si = 1.00 13 0.5064 0.1665 0.0913 0.0 Si = 1.00 14 0.1492 0.0664 0.333 0.0 H = 1.00 15 0.0768 0.1742 0.7363 0.0 H = 1.00 16 0.0353 0.5068 0.7392 0.0 H = 1.00 17 0.0558 0.8175 0.7374 0.0 H = 1.00 Co-ordinates for all atomic positions : No NoP x/a y/b z/c 1 1 0.0501 0.3539 0.317 2 2 0.1214 0.6604 0.3175 3 3 0.0 0.5 0.0 4 4 0.2085 0.2305 0.0247 5 5 0.2012 0.7657 0.0032 6 6 0.051 0.9698 0.322 7 7 0.9649 0.1665 0.6051 8 8 0.0348 0.4769 0.608 9 9 0.0334 0.857 0.6094 10 10 0.2971 0.4957 0.4721 11 11 0.7926 0.33 0.4699 12 12 0.9942 0.3393 0.0909 13 13 0.5064 0.1665 0.0913 14 14 0.1492 0.0664 0.333 15 15 0.0768 0.1742 0.7363 16 16 0.0353 0.5068 0.7392 17 17 0.0558 0.8175 0.7374 18 1 0.5501 0.8539 0.317 19 2 0.6214 0.1604 0.3175 20 3 0.5 0.0 0.0 21 4 0.7085 0.7305 0.0247 22 5 0.7012 0.2657 0.0032 23 6 0.551 0.4698 0.322 24 7 0.4649 0.6665 0.6051 25 8 0.5348 0.9769 0.608 26 9 0.5334 0.357 0.6094 27 10 0.7971 0.9957 0.4721 28 11 0.2926 0.83 0.4699 29 12 0.4942 0.8393 0.0909 30 13 0.0064 0.6665 0.0913 31 14 0.6492 0.5664 0.333 32 15 0.5768 0.6742 0.7363 33 16 0.5353 0.0068 0.7392 34 17 0.5558 0.3175 0.7374 X-ray density (g/cm cub.) = 2.64 MU (1/cm) = 77.799 Mass attenuation coefficient (cm**2/g) = 29.485 Selected interatomic distances (cation-anion,anion-anion): NoP Atom Rad.sph. C.N. Distance NoP N. (angs.) (angs.) 1 O 3.312 10 2.767 2 2.6746 3 2.7073 4 2.8725 7 2.4095 8 2.8122 2 2.6482 5 2.7767 6 2.7797 6 2.8507 9 2 O 3.312 10 2.767 1 2.6511 3 2.6639 5 2.7904 6 2.8683 8 2.871 9 2.8122 1 2.7074 4 2.7848 6 2.3944 7 3 O 3.312 8 2.6746 1 2.6511 2 2.6285 4 2.5931 5 2.955 8 2.5772 4 2.6091 5 3.2228 6 4 O 3.312 8 2.7073 1 2.6285 3 3.0751 7 2.7074 2 2.5772 3 2.6061 5 2.5978 5 3.2087 6 5 O 3.312 8 2.6639 2 2.5931 3 3.1904 6 2.9599 9 2.6482 1 2.6091 3 2.5978 4 2.6061 4 6 OH 3.36 10 2.7904 2 3.1904 5 2.8179 7 2.4046 9 2.7797 1 2.7767 1 2.7848 2 3.2228 3 3.2087 4 2.8272 8 7 OH 3.36 8 2.8725 1 3.0751 4 2.8179 6 2.7996 8 2.7898 9 2.3944 2 2.8006 8 2.8041 9 8 OH 3.36 8 2.4095 1 2.8683 2 2.955 3 2.7996 7 2.8272 6 2.8006 7 2.7798 9 2.8042 9 9 OH 3.36 8 2.871 2 2.9599 5 2.4046 6 2.7898 7 2.8507 1 2.8041 7 2.8042 8 2.7798 8 10 Al 2.364 6 1.9294 1 1.965 2 1.8918 8 1.9317 6 1.88 7 1.8673 9 11 Al 2.364 6 1.969 1 1.8849 7 1.8992 8 1.9364 2 1.92 6 1.898 9 12 Si 2.148 4 1.6257 1 1.6088 3 1.6281 4 1.6169 5 13 Si 2.148 4 1.5976 4 1.6297 2 1.6141 3 1.6117 5 14 H 1.68 1 0.9934 6 15 H 1.68 1 0.9951 7 16 H 1.68 1 0.9993 8 17 H 1.68 1 1.0 9 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 1 6.181 12.362 0.07 169.54 2 51.3 819.1 2 0 2 0 9.922 19.844 0.112 64.45 2 35.5 149.6 3 -1 1 0 10.173 20.346 0.115 61.2 2 64.5 467.4 4 1 1 0 10.214 20.428 0.115 60.69 2 6.9 5.3 5 -1 -1 1 10.617 21.233 0.12 56.02 2 66.1 449.7 6 -1 1 1 10.752 21.504 0.121 54.56 2 46.3 215.0 7 0 -2 1 11.563 23.125 0.13 46.89 2 61.0 320.2 8 0 2 1 11.882 23.763 0.134 44.3 2 42.9 149.9 9 0 0 2 12.436 24.872 0.14 40.26 2 84.4 526.6 10 1 -1 1 13.022 26.045 0.146 36.53 2 16.1 17.5 11 1 1 1 13.198 26.396 0.148 35.51 2 54.8 195.9 12 -1 -1 2 14.134 28.268 0.159 30.71 2 26.9 41.0 13 -1 1 2 14.37 28.741 0.161 29.64 2 30.1 49.5 14 0 -2 2 15.768 31.537 0.176 24.29 2 12.8 7.3 15 0 2 2 16.247 32.495 0.182 22.77 2 42.1 74.1 16 -2 0 1 17.468 34.936 0.195 19.45 2 41.7 62.2 17 -1 3 0 17.49 34.98 0.195 19.4 2 45.0 72.2 18 1 3 0 17.565 35.129 0.196 19.22 2 42.4 63.6 19 -1 -3 1 17.703 35.405 0.197 18.89 2 55.0 105.0 20 1 -1 2 17.809 35.618 0.199 18.65 2 36.9 46.7 21 -1 3 1 17.956 35.912 0.2 18.32 2 57.6 111.6 22 2 0 0 18.009 36.019 0.201 18.2 2 57.6 110.8 23 1 1 2 18.05 36.1 0.201 18.11 2 27.5 25.1 24 0 0 3 18.846 37.691 0.21 16.47 2 51.1 79.1 25 -2 0 2 19.168 38.335 0.213 15.86 2 89.2 231.8 26 -1 -1 3 19.232 38.465 0.214 15.75 2 26.8 20.8 27 1 -3 1 19.259 38.519 0.214 15.7 2 86.7 216.9 28 -1 1 3 19.514 39.028 0.217 15.25 2 31.0 27.0 29 1 3 1 19.631 39.261 0.218 15.05 2 97.7 264.1 30 -1 -3 2 20.006 40.011 0.222 14.43 2 31.5 26.3 31 0 4 0 20.158 40.317 0.224 14.18 2 8.7 2.0 32 -2 -2 1 20.195 40.391 0.224 14.13 2 5.0 0.7 33 -2 2 1 20.303 40.607 0.225 13.96 2 18.6 8.9 34 -1 3 2 20.526 41.053 0.228 13.62 2 29.3 21.4 35 2 0 1 20.64 41.281 0.229 13.46 2 27.7 18.9 36 -2 2 0 20.686 41.371 0.229 13.39 2 16.8 7.0 37 2 2 0 20.772 41.543 0.23 13.27 2 14.6 5.2 38 0 -4 1 20.975 41.95 0.232 12.98 2 11.0 2.9 39 0 -2 3 21.194 42.389 0.235 12.68 2 31.1 22.6 40 0 4 1 21.352 42.705 0.236 12.47 2 19.1 8.4 41 -2 -2 2 21.622 43.243 0.239 12.13 2 10.5 2.4 42 0 2 3 21.754 43.507 0.241 11.96 2 13.8 4.2 43 -2 2 2 21.908 43.816 0.242 11.77 2 23.0 11.5 44 -2 0 3 22.681 45.363 0.25 10.89 2 64.7 83.8 45 1 -3 2 22.823 45.646 0.252 10.74 2 63.4 79.4 46 2 -2 1 22.974 45.948 0.253 10.58 2 13.4 3.5 47 2 2 1 23.229 46.457 0.256 10.32 2 39.2 29.1 48 1 3 2 23.41 46.819 0.258 10.14 2 54.5 55.3 49 1 -1 3 23.538 47.077 0.259 10.01 2 8.1 1.2 50 0 -4 2 23.633 47.266 0.26 9.92 2 38.6 27.2 51 1 1 3 23.817 47.633 0.262 9.75 2 18.6 6.2 52 -1 -3 3 23.952 47.903 0.264 9.62 2 41.0 29.7 53 0 4 2 24.317 48.634 0.267 9.3 2 40.0 27.4 54 -1 3 3 24.657 49.313 0.271 9.01 2 42.1 29.3 55 -2 -2 3 24.771 49.542 0.272 8.91 2 47.9 37.5 56 2 0 2 24.813 49.627 0.272 8.88 2 37.0 22.4 57 -1 -1 4 25.146 50.292 0.276 8.62 2 24.5 9.5 58 -2 2 3 25.194 50.389 0.276 8.58 2 24.8 9.7 59 -1 1 4 25.457 50.913 0.279 8.38 2 2.1 0.1 60 0 0 4 25.511 51.023 0.28 8.34 2 47.4 34.4 61 2 -2 2 26.786 53.572 0.293 7.46 2 49.3 33.4 62 -2 -4 1 27.108 54.216 0.296 7.26 2 39.1 20.4 63 -3 -1 1 27.154 54.308 0.296 7.23 2 15.7 3.3 64 2 2 2 27.17 54.341 0.296 7.22 2 1.9 0.0 65 -3 1 1 27.18 54.359 0.297 7.22 2 27.7 10.2 66 -1 5 0 27.193 54.386 0.297 7.21 2 8.2 0.9 67 1 5 0 27.28 54.561 0.298 7.16 2 39.9 21.0 68 -2 4 1 27.281 54.561 0.298 7.16 2 22.3 6.5 69 -1 -5 1 27.3 54.6 0.298 7.14 2 25.3 8.4 70 0 -2 4 27.328 54.655 0.298 7.13 2 18.3 4.4 71 -2 0 4 27.469 54.938 0.299 7.05 2 79.5 81.9 72 -2 4 0 27.51 55.02 0.3 7.02 2 52.4 35.4 73 -1 5 1 27.601 55.203 0.301 6.97 2 27.0 9.3 74 1 -3 3 27.646 55.291 0.301 6.94 2 80.9 83.6 75 2 4 0 27.649 55.297 0.301 6.94 2 31.7 12.8 76 0 -4 3 27.726 55.452 0.302 6.9 2 28.2 10.1 77 -3 -1 2 27.757 55.514 0.302 6.88 2 40.1 20.4 78 -3 1 2 27.859 55.718 0.303 6.82 2 51.0 32.6 79 0 2 4 27.946 55.891 0.304 6.78 2 25.2 7.9 80 -3 1 0 28.118 56.237 0.306 6.68 2 32.1 12.7 81 3 1 0 28.17 56.339 0.306 6.65 2 26.1 8.3 82 -2 -4 2 28.188 56.375 0.307 6.64 2 25.5 8.0 83 1 3 3 28.386 56.772 0.309 6.54 2 81.6 80.0 84 1 -5 1 28.399 56.797 0.309 6.53 2 51.2 31.5 85 0 4 3 28.641 57.282 0.311 6.41 2 25.0 7.3 86 -2 4 2 28.658 57.317 0.311 6.4 2 32.7 12.6 87 1 5 1 28.861 57.721 0.313 6.3 2 16.4 3.1 88 -1 -5 2 28.918 57.837 0.314 6.27 2 25.3 7.4 89 -1 -3 4 29.049 58.097 0.315 6.21 2 64.2 47.1 90 -2 -2 4 29.235 58.469 0.317 6.12 2 8.5 0.8 91 2 -4 1 29.321 58.642 0.318 6.08 2 23.9 6.4 92 -1 5 2 29.58 59.159 0.32 5.96 2 20.7 4.7 93 2 4 1 29.75 59.5 0.322 5.88 2 29.7 9.5 94 -2 2 4 29.761 59.522 0.322 5.88 2 57.4 35.6 95 -1 3 4 29.888 59.777 0.323 5.82 2 54.4 31.6 96 1 -1 4 29.909 59.819 0.324 5.81 2 12.5 1.7 97 -3 -1 3 29.913 59.827 0.324 5.81 2 38.6 15.9 98 2 0 3 30.077 60.154 0.325 5.74 2 59.0 36.7 99 -3 1 3 30.084 60.168 0.325 5.74 2 11.8 1.5 100 1 1 4 30.219 60.437 0.327 5.68 2 25.5 6.8 101 3 -1 1 30.577 61.155 0.33 5.53 2 27.9 7.9 102 3 1 1 30.698 61.397 0.331 5.48 2 18.3 3.4 103 -2 -4 3 30.774 61.549 0.332 5.45 2 26.0 6.8 104 1 -5 2 31.096 62.192 0.335 5.33 2 21.6 4.6 105 0 6 0 31.126 62.252 0.336 5.32 2 91.7 82.3 106 -3 -3 1 31.132 62.264 0.336 5.32 2 93.2 84.8 107 -3 3 1 31.203 62.405 0.336 5.29 2 93.1 84.2 108 -2 4 3 31.507 63.013 0.339 5.18 2 27.8 7.3 109 -3 -3 2 31.616 63.231 0.34 5.14 2 35.8 12.1 110 0 -6 1 31.659 63.318 0.341 5.12 2 30.7 8.8 111 -1 -1 5 31.68 63.361 0.341 5.12 2 4.1 0.2 112 2 -2 3 31.758 63.517 0.342 5.09 2 41.0 15.7 113 1 5 2 31.889 63.778 0.343 5.04 2 40.4 15.2 114 -3 3 2 31.898 63.796 0.343 5.04 2 42.8 17.0 115 -1 -5 3 31.979 63.959 0.344 5.01 2 25.6 6.0 116 -3 3 0 31.996 63.992 0.344 5.01 2 34.5 11.0 117 -1 1 5 32.019 64.037 0.344 5.0 2 17.4 2.8 118 0 6 1 32.084 64.167 0.345 4.98 2 41.3 15.6 119 3 3 0 32.138 64.277 0.345 4.96 2 37.1 12.5 120 2 2 3 32.246 64.491 0.346 4.92 2 60.0 32.5 121 2 -4 2 32.548 65.096 0.349 4.83 2 29.2 7.6 122 0 0 5 32.572 65.145 0.349 4.82 2 40.5 14.5 123 0 -4 4 32.922 65.844 0.353 4.71 2 43.8 16.6 124 -1 5 3 32.952 65.905 0.353 4.7 2 15.8 2.1 125 -2 0 5 33.213 66.426 0.356 4.62 2 36.9 11.5 126 2 4 2 33.23 66.46 0.356 4.62 2 37.1 11.7 127 1 -3 4 33.419 66.837 0.358 4.56 2 32.9 9.1 128 -3 -1 4 33.44 66.88 0.358 4.55 2 17.0 2.4 129 -3 -3 3 33.553 67.106 0.359 4.52 2 41.5 14.3 130 0 -6 2 33.643 67.286 0.36 4.5 2 43.3 15.5 131 -3 1 4 33.67 67.339 0.36 4.49 2 31.6 8.2 132 0 4 4 34.026 68.052 0.363 4.39 2 60.1 29.1 133 -3 3 3 34.033 68.066 0.363 4.39 2 33.6 9.1 134 0 -2 5 34.08 68.159 0.364 4.38 2 14.2 1.6 135 3 -3 1 34.223 68.445 0.365 4.34 2 38.4 11.8 136 1 3 4 34.288 68.577 0.366 4.32 2 37.6 11.2 137 3 -1 2 34.365 68.73 0.366 4.3 2 18.8 2.8 138 0 6 2 34.464 68.928 0.367 4.28 2 29.2 6.7 139 3 1 2 34.547 69.094 0.368 4.26 2 23.3 4.3 140 3 3 1 34.564 69.128 0.368 4.25 2 31.0 7.5 141 -2 -4 4 34.674 69.348 0.369 4.22 2 19.9 3.1 142 -2 -2 5 34.737 69.473 0.37 4.21 2 51.2 20.2 143 0 2 5 34.76 69.521 0.37 4.2 2 15.5 1.8 144 -1 -3 5 35.055 70.111 0.373 4.13 2 102.1 79.1 145 1 -5 3 35.091 70.182 0.373 4.12 2 21.9 3.6 146 -2 2 5 35.351 70.703 0.376 4.06 2 5.5 0.2 147 -2 4 4 35.632 71.265 0.378 4.0 2 18.7 2.6 148 -1 3 5 36.017 72.035 0.382 3.92 2 98.2 69.4 149 1 5 3 36.172 72.344 0.383 3.88 2 12.2 1.1 150 2 0 4 36.235 72.47 0.384 3.87 2 95.7 65.1 151 -1 -5 4 36.291 72.583 0.384 3.86 2 5.3 0.2 152 -2 -6 1 36.599 73.199 0.387 3.8 2 57.9 23.4 153 -2 6 1 36.819 73.638 0.389 3.75 2 53.1 19.4 154 -3 -3 4 36.832 73.664 0.389 3.75 2 28.7 5.7 155 -4 0 1 36.857 73.714 0.389 3.75 2 60.2 25.0 156 -4 0 2 36.894 73.788 0.39 3.74 2 41.2 11.7 157 1 -1 5 36.927 73.854 0.39 3.73 2 23.0 3.6 158 -2 6 0 36.948 73.896 0.39 3.73 2 42.7 12.5 159 0 -6 3 36.964 73.928 0.39 3.73 2 27.0 5.0 160 2 -4 3 37.006 74.012 0.391 3.72 2 24.1 4.0 161 2 6 0 37.125 74.251 0.392 3.7 2 40.7 11.2 162 1 1 5 37.272 74.543 0.393 3.67 2 8.3 0.5 163 -2 -6 2 37.456 74.912 0.395 3.64 2 65.3 28.5 164 -3 3 4 37.49 74.981 0.395 3.63 2 33.9 7.7 165 -1 5 4 37.54 75.079 0.396 3.62 2 27.7 5.1 166 2 -2 4 37.711 75.422 0.397 3.59 2 29.9 5.9 167 3 -3 2 37.764 75.527 0.398 3.58 2 33.2 7.3 168 2 4 3 37.913 75.826 0.399 3.56 2 3.3 0.1 169 -2 6 2 38.067 76.134 0.4 3.53 2 75.7 37.3 170 0 6 3 38.147 76.293 0.401 3.52 2 31.1 6.3 171 -3 -1 5 38.165 76.331 0.401 3.52 2 12.0 0.9 172 4 0 0 38.195 76.39 0.401 3.51 2 69.6 31.3 173 3 3 2 38.288 76.576 0.402 3.5 2 30.4 6.0 174 2 2 4 38.293 76.587 0.402 3.5 2 23.4 3.5 175 -4 0 3 38.305 76.611 0.402 3.49 2 45.2 13.1 176 -3 -5 1 38.393 76.785 0.403 3.48 2 34.8 7.7 177 -3 1 5 38.448 76.896 0.404 3.47 2 17.7 2.0 178 2 -6 1 38.449 76.897 0.404 3.47 2 46.0 13.5 179 -1 7 0 38.453 76.906 0.404 3.47 2 47.2 14.2 180 -3 5 1 38.499 76.999 0.404 3.46 2 17.6 2.0 181 -1 -7 1 38.507 77.014 0.404 3.46 2 59.6 22.6 182 1 7 0 38.555 77.111 0.405 3.46 2 21.3 2.9 183 -4 -2 2 38.579 77.159 0.405 3.45 2 35.7 8.1 184 -4 -2 1 38.608 77.215 0.405 3.45 2 46.5 13.7 185 -4 2 1 38.621 77.243 0.405 3.45 2 20.3 2.6 186 -4 2 2 38.723 77.446 0.406 3.43 2 31.9 6.4 187 -3 -5 2 38.768 77.536 0.406 3.42 2 51.1 16.4 188 -1 7 1 38.86 77.721 0.407 3.41 2 38.1 9.1 189 -1 -1 6 38.895 77.789 0.408 3.4 2 25.2 4.0 190 2 6 1 39.014 78.028 0.409 3.39 2 46.9 13.7 191 0 -4 5 39.086 78.172 0.409 3.38 2 38.3 9.1 192 -3 5 0 39.16 78.319 0.41 3.37 2 28.5 5.0 193 -3 5 2 39.199 78.399 0.41 3.36 2 45.4 12.8 194 -1 1 6 39.269 78.539 0.411 3.35 2 26.2 4.2 195 3 -1 3 39.328 78.656 0.411 3.34 2 39.5 9.6 196 3 5 0 39.377 78.754 0.412 3.34 2 24.3 3.6 197 1 -7 1 39.406 78.812 0.412 3.33 2 28.1 4.8 198 3 1 3 39.566 79.131 0.413 3.31 2 24.2 3.6 199 -2 -6 3 39.665 79.329 0.414 3.3 2 36.3 8.0 200 -2 -4 5 39.739 79.479 0.415 3.29 2 25.9 4.1 201 -1 -7 2 39.815 79.631 0.416 3.28 2 18.1 2.0 202 -2 0 6 39.843 79.686 0.416 3.27 2 39.6 9.5 203 -4 2 0 39.876 79.752 0.416 3.27 2 50.4 15.3 204 -4 -2 3 39.907 79.814 0.416 3.27 2 31.1 5.8 205 1 7 1 39.959 79.919 0.417 3.26 2 26.5 4.2 206 4 2 0 39.991 79.983 0.417 3.26 2 19.6 2.3 207 1 -3 5 40.08 80.159 0.418 3.24 2 39.6 9.3 208 -4 2 3 40.178 80.356 0.419 3.23 2 20.8 2.6 209 0 0 6 40.244 80.487 0.419 3.22 2 49.5 14.5 210 1 -5 4 40.246 80.492 0.419 3.22 2 5.9 0.2 211 0 4 5 40.378 80.756 0.421 3.21 2 17.1 1.7 212 -3 -5 3 40.493 80.987 0.422 3.19 2 16.8 1.7 213 -1 7 2 40.616 81.232 0.423 3.18 2 27.7 4.5 214 -2 6 3 40.651 81.302 0.423 3.18 2 24.2 3.4 215 4 0 1 40.866 81.732 0.425 3.15 2 33.8 6.6 216 -2 4 5 40.911 81.823 0.425 3.15 2 43.2 10.8 217 -4 0 4 41.046 82.093 0.426 3.13 2 22.3 2.9 218 1 3 5 41.087 82.174 0.427 3.13 2 41.4 9.8 219 3 -5 1 41.162 82.323 0.427 3.12 2 25.7 3.8 220 -2 -2 6 41.208 82.417 0.428 3.12 2 24.7 3.5 221 -3 5 3 41.24 82.481 0.428 3.11 2 32.2 5.9 222 2 -6 2 41.276 82.552 0.428 3.11 2 17.2 1.7 223 -3 -3 5 41.348 82.695 0.429 3.1 2 25.0 3.6 224 0 -6 4 41.52 83.039 0.43 3.08 2 23.9 3.2 225 0 -2 6 41.577 83.155 0.431 3.08 2 29.7 5.0 226 1 5 4 41.601 83.202 0.431 3.08 2 7.7 0.3 227 1 -7 2 41.694 83.387 0.432 3.07 2 22.6 2.9 228 3 5 1 41.697 83.393 0.432 3.07 2 16.0 1.4 229 -1 -5 5 41.748 83.496 0.432 3.06 2 36.1 7.3 230 -2 2 6 41.919 83.837 0.434 3.05 2 36.8 7.6 231 -1 -3 6 41.971 83.941 0.434 3.04 2 7.6 0.3 232 -3 3 5 42.177 84.355 0.436 3.02 2 28.3 4.4 233 2 6 2 42.215 84.43 0.436 3.02 2 21.0 2.4 234 0 2 6 42.344 84.687 0.437 3.01 2 13.4 1.0 235 -1 -7 3 42.45 84.9 0.438 3.0 2 29.2 4.7 236 4 -2 1 42.458 84.915 0.438 3.0 2 17.3 1.7 237 3 -3 3 42.531 85.062 0.439 2.99 2 29.7 4.8 238 -4 -2 4 42.56 85.12 0.439 2.99 2 19.3 2.0 239 2 -4 4 42.608 85.215 0.439 2.99 2 14.8 1.2 240 1 7 2 42.687 85.374 0.44 2.98 2 21.6 2.6 241 4 2 1 42.699 85.398 0.44 2.98 2 31.3 5.3 242 -4 2 4 42.955 85.911 0.442 2.96 2 26.2 3.7 243 0 6 4 43.051 86.101 0.443 2.95 2 22.2 2.7 244 -1 3 6 43.075 86.15 0.443 2.95 2 15.0 1.2 245 -2 -6 4 43.175 86.35 0.444 2.94 2 68.3 25.2 246 3 3 3 43.232 86.465 0.445 2.94 2 22.9 2.8 247 -1 5 5 43.27 86.541 0.445 2.93 2 16.1 1.4 248 2 0 5 43.327 86.654 0.445 2.93 2 11.9 0.8 249 -3 -5 4 43.535 87.069 0.447 2.92 2 22.7 2.8 250 0 8 0 43.569 87.138 0.447 2.91 2 26.3 3.7 251 -4 -4 2 43.666 87.331 0.448 2.91 2 23.3 2.9 252 -1 7 3 43.687 87.374 0.448 2.9 2 25.2 3.4 253 2 4 4 43.74 87.48 0.449 2.9 2 12.1 0.8 254 -4 -4 1 43.757 87.514 0.449 2.9 2 24.4 3.2 255 -4 4 1 43.783 87.567 0.449 2.9 2 26.3 3.7 256 -4 4 2 43.946 87.893 0.45 2.89 2 26.9 3.8 257 0 -8 1 43.98 87.96 0.451 2.89 2 22.3 2.6 258 -3 -1 6 44.037 88.074 0.451 2.88 2 6.0 0.2 259 -3 1 6 44.376 88.751 0.454 2.86 2 13.8 1.0 260 3 -5 2 44.475 88.95 0.455 2.86 2 19.5 2.0 261 0 8 1 44.488 88.976 0.455 2.86 2 11.8 0.7 262 -2 6 4 44.529 89.059 0.455 2.85 2 61.8 20.0 263 -3 5 4 44.592 89.184 0.456 2.85 2 7.1 0.3 264 2 -2 5 44.683 89.366 0.456 2.84 2 30.4 4.8 265 1 -1 6 44.798 89.595 0.457 2.84 2 17.6 1.6 266 4 0 2 44.83 89.66 0.458 2.84 2 62.1 20.1 267 -4 -4 3 44.903 89.807 0.458 2.83 2 22.4 2.6 268 -4 4 0 44.95 89.899 0.459 2.83 2 6.2 0.2 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 1 6.181 12.362 7.15389 819.1 100.0 100.0 5.6 2 0 2 0 9.922 19.844 4.47038 149.6 18.3 18.2 5.6 3 -1 1 0 10.173 20.346 4.3612 467.4 57.1 56.8 5.6 4 -1 -1 1 10.617 21.233 4.18091 449.7 54.9 54.6 5.6 5 -1 1 1 10.752 21.504 4.12893 215.0 26.2 26.1 5.6 6 0 -2 1 11.563 23.125 3.843 320.2 39.1 38.8 5.6 7 0 2 1 11.882 23.763 3.74118 149.9 18.3 18.2 5.6 8 0 0 2 12.436 24.872 3.57694 526.6 64.3 63.8 5.6 9 1 -1 1 13.022 26.045 3.41846 17.5 2.1 2.1 5.6 10 1 1 1 13.198 26.396 3.37369 195.9 23.9 23.7 5.6 11 -1 -1 2 14.134 28.268 3.15439 41.0 5.0 4.9 5.6 12 -1 1 2 14.37 28.741 3.10358 49.5 6.0 6.0 5.6 13 0 2 2 16.247 32.495 2.7531 74.1 9.0 8.9 5.6 14 -1 3 0 17.49 34.98 2.56296 134.4 16.4 16.1 5.7 15 1 3 0 17.565 35.129 2.55246 63.6 7.8 7.6 5.7 16 -1 -3 1 17.703 35.405 2.53317 105.0 12.8 12.6 5.7 17 1 -1 2 17.809 35.618 2.51856 46.7 5.7 5.6 5.7 18 -1 3 1 17.956 35.912 2.49855 111.6 13.6 13.4 5.7 19 2 0 0 18.009 36.019 2.49144 110.8 13.5 13.3 5.7 20 1 1 2 18.05 36.1 2.48602 25.1 3.1 3.0 5.7 21 0 0 3 18.846 37.691 2.38463 79.1 9.7 9.5 5.7 22 -2 0 2 19.168 38.335 2.34602 231.8 28.3 27.7 5.7 23 1 -3 1 19.259 38.519 2.33529 237.7 29.0 28.4 5.7 24 -1 1 3 19.514 39.028 2.30597 27.0 3.3 3.2 5.7 25 1 3 1 19.631 39.261 2.2928 264.1 32.2 31.6 5.7 26 -1 -3 2 20.006 40.011 2.25153 26.3 3.2 3.1 5.7 27 -2 2 1 20.303 40.607 2.21988 8.9 1.1 1.1 5.7 28 -1 3 2 20.526 41.053 2.1968 21.4 2.6 2.6 5.7 29 2 0 1 20.64 41.281 2.18517 18.9 2.3 2.3 5.7 30 0 -2 3 21.194 42.389 2.13059 22.6 2.8 2.7 5.7 31 0 4 1 21.352 42.705 2.11557 8.4 1.0 1.0 5.7 32 -2 2 2 21.908 43.816 2.06447 11.5 1.4 1.4 5.7 33 -2 0 3 22.681 45.363 1.99758 83.8 10.2 10.0 5.7 34 1 -3 2 22.823 45.646 1.98585 79.4 9.7 9.4 5.7 35 2 2 1 23.229 46.457 1.95303 29.1 3.6 3.5 5.7 36 1 3 2 23.41 46.819 1.93878 55.3 6.8 6.6 5.7 37 0 -4 2 23.633 47.266 1.9215 27.2 3.3 3.2 5.7 38 -1 -3 3 23.952 47.903 1.89741 29.7 3.6 3.5 5.7 39 0 4 2 24.317 48.634 1.87059 27.4 3.3 3.2 5.7 40 -1 3 3 24.657 49.313 1.84641 29.3 3.6 3.5 5.7 41 -2 -2 3 24.771 49.542 1.83841 37.5 4.6 4.4 5.7 42 2 0 2 24.813 49.627 1.83547 22.4 2.7 2.6 5.7 43 -1 -1 4 25.146 50.292 1.81272 9.5 1.2 1.1 5.8 44 -2 2 3 25.194 50.389 1.80949 9.7 1.2 1.1 5.8 45 0 0 4 25.511 51.023 1.78847 34.4 4.2 4.1 5.8 46 2 -2 2 26.786 53.572 1.70923 33.4 4.1 3.9 5.8 47 -2 -4 1 27.108 54.216 1.69042 20.4 2.5 2.4 5.8 48 -3 1 1 27.18 54.359 1.68632 13.5 1.7 1.6 5.8 49 1 5 0 27.28 54.561 1.68057 35.9 4.4 4.2 5.8 50 -2 0 4 27.469 54.938 1.66992 81.9 10.0 9.6 5.8 51 -2 4 0 27.51 55.02 1.66763 35.4 4.3 4.2 5.8 52 -1 5 1 27.601 55.203 1.66253 9.3 1.1 1.1 5.8 53 1 -3 3 27.646 55.291 1.66008 96.4 11.8 11.3 5.8 54 0 -4 3 27.726 55.452 1.65565 10.1 1.2 1.2 5.8 55 -3 -1 2 27.757 55.514 1.65396 20.4 2.5 2.4 5.8 56 -3 1 2 27.859 55.718 1.64837 32.6 4.0 3.8 5.8 57 -3 1 0 28.118 56.237 1.63439 12.7 1.5 1.5 5.8 58 3 1 0 28.17 56.339 1.63165 16.3 2.0 1.9 5.8 59 1 3 3 28.386 56.772 1.62023 111.5 13.6 13.1 5.8 60 -2 4 2 28.658 57.317 1.60613 19.9 2.4 2.3 5.8 61 -1 -3 4 29.049 58.097 1.5864 47.1 5.7 5.5 5.8 62 -2 2 4 29.761 59.522 1.55179 45.1 5.5 5.3 5.8 63 -1 3 4 29.888 59.777 1.54578 49.2 6.0 5.7 5.8 64 2 0 3 30.077 60.154 1.53699 38.2 4.7 4.5 5.8 65 -3 -3 1 31.132 62.264 1.48987 167.1 20.4 19.4 5.8 66 -3 3 1 31.203 62.405 1.48684 84.2 10.3 9.8 5.8 67 -3 -3 2 31.616 63.231 1.46939 12.1 1.5 1.4 5.9 68 0 -6 1 31.659 63.318 1.46759 9.0 1.1 1.0 5.9 69 2 -2 3 31.758 63.517 1.46347 15.7 1.9 1.8 5.9 70 -3 3 2 31.898 63.796 1.45773 32.2 3.9 3.7 5.9 71 -3 3 0 31.996 63.992 1.45373 19.8 2.4 2.3 5.9 72 0 6 1 32.084 64.167 1.45019 15.6 1.9 1.8 5.9 73 3 3 0 32.138 64.277 1.44798 12.5 1.5 1.5 5.9 74 2 2 3 32.246 64.491 1.44369 32.5 4.0 3.8 5.9 75 0 0 5 32.572 65.145 1.43078 22.1 2.7 2.6 5.9 76 0 -4 4 32.922 65.844 1.41727 16.6 2.0 1.9 5.9 77 2 4 2 33.23 66.46 1.40562 23.2 2.8 2.7 5.9 78 1 -3 4 33.419 66.837 1.3986 11.5 1.4 1.3 5.9 79 -3 -3 3 33.553 67.106 1.39364 14.3 1.7 1.6 5.9 80 0 -6 2 33.643 67.286 1.39036 23.8 2.9 2.7 5.9 81 0 4 4 34.026 68.052 1.37655 38.3 4.7 4.4 5.9 82 3 -3 1 34.223 68.445 1.36961 11.8 1.4 1.4 5.9 83 1 3 4 34.288 68.577 1.3673 11.2 1.4 1.3 5.9 84 3 3 1 34.564 69.128 1.35773 11.8 1.4 1.4 5.9 85 -2 -2 5 34.737 69.473 1.35183 22.1 2.7 2.5 5.9 86 -1 -3 5 35.055 70.111 1.34109 79.1 9.7 9.1 5.9 87 -1 3 5 36.017 72.035 1.30993 69.4 8.5 7.9 5.9 88 2 0 4 36.235 72.47 1.30314 65.1 7.9 7.4 5.9 89 -2 -6 1 36.599 73.199 1.29195 23.4 2.9 2.7 6.0 90 -2 6 1 36.819 73.638 1.28533 25.1 3.1 2.9 6.0 91 -4 0 1 36.857 73.714 1.28419 25.0 3.0 2.8 6.0 92 -4 0 2 36.894 73.788 1.28308 11.7 1.4 1.3 6.0 93 -2 6 0 36.948 73.896 1.28148 21.1 2.6 2.4 6.0 94 2 6 0 37.125 74.251 1.27623 11.2 1.4 1.3 6.0 95 -2 -6 2 37.456 74.912 1.26659 28.5 3.5 3.2 6.0 96 -2 6 2 38.067 76.134 1.24928 37.3 4.5 4.2 6.0 97 4 0 0 38.195 76.39 1.24572 31.3 3.8 3.5 6.0 98 -4 0 3 38.305 76.611 1.24268 22.6 2.8 2.6 6.0 99 -1 7 0 38.453 76.906 1.23864 29.7 3.6 3.4 6.0 100 -1 -7 1 38.507 77.014 1.23718 24.6 3.0 2.8 6.0 101 -4 -2 1 38.608 77.215 1.23445 27.3 3.3 3.1 6.0 102 -3 -5 2 38.768 77.536 1.23014 16.4 2.0 1.9 6.0 103 -1 7 1 38.86 77.721 1.22769 9.1 1.1 1.0 6.0 104 2 6 1 39.014 78.028 1.22362 13.7 1.7 1.5 6.0 105 0 -4 5 39.086 78.172 1.22172 9.1 1.1 1.0 6.0 106 -3 5 2 39.199 78.399 1.21876 12.8 1.6 1.4 6.0 107 3 -1 3 39.328 78.656 1.21541 9.6 1.2 1.1 6.0 108 1 -7 1 39.406 78.812 1.21341 8.5 1.0 1.0 6.0 109 -2 0 6 39.843 79.686 1.20227 11.4 1.4 1.3 6.0 110 -4 2 0 39.876 79.752 1.20145 15.3 1.9 1.7 6.0 111 1 -3 5 40.08 80.159 1.19636 9.3 1.1 1.0 6.0 112 0 0 6 40.244 80.487 1.19231 14.7 1.8 1.7 6.0 113 -2 4 5 40.911 81.823 1.1762 10.8 1.3 1.2 6.1 114 1 3 5 41.087 82.174 1.17206 9.8 1.2 1.1 6.1 115 -2 -6 4 43.175 86.35 1.12577 25.2 3.1 2.8 6.1 116 -2 6 4 44.529 89.059 1.0984 20.0 2.4 2.2 6.2 117 4 0 2 44.83 89.66 1.09259 20.1 2.5 2.2 6.2 Reference: Chichagov A.V. et al. Information-Calculating System on Crystal Structure Data of Minerals (MINCRYST) - Kristallographiya, v.35, n.3, 1990, p.610-616 (in Russian) |