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 *** *********************** CLINOZOISITE 4, t-epidote, at 42 kbar, f-epidote, s-epidote Ca(2)Al(2)[Al(0.79)Fe(0.22)]Si(3)O(12)OH Monoclinic P 2(1)/m Z = 2 R =0.048 NR =1100 23 .6 .1998 Ref.Str.: Comodi P., Zanazzi P.F. (1997) * Amer. Mineral., 82, 61-68 Reserv: See U(ij) in the original. N.A.D. Initial data from BDM-file Lattice parameters (cub. angs.,degr.): a = 8.793 alpha = 90.0 b = 5.526 beta = 115.3 c = 9.996 gamma = 90.0 Unit cell volume (cub. angs.) = 439.12 Molar volume ( cub.cm/mol.) = 132.25 Co-ordinates, thermal parameters, occupation for atomic positions: NoP x/a y/b z/c B(j) atom / occupation 1 0.7592 0.75 0.1529 0.0 Ca = 1.00 2 0.6048 0.75 0.4276 0.0 Ca = 1.00 3 0.341 0.75 0.0508 0.0 Si = 1.00 4 0.68 0.25 0.2751 0.0 Si = 1.00 5 0.1837 0.75 0.317 0.0 Si = 1.00 6 0.0 0.0 0.0 0.0 Al = 1.00 7 0.0 0.0 0.5 0.0 Al = 1.00 8 0.2913 0.25 0.2237 0.0 Fe = 1.00 9 0.2354 0.998 0.0455 0.0 O = 1.00 10 0.3037 0.985 0.3532 0.0 O = 1.00 11 0.7911 0.014 0.3439 0.0 O = 1.00 12 0.053 0.25 0.135 0.0 O = 1.00 13 0.039 0.75 0.142 0.0 O = 1.00 14 0.063 0.75 0.404 0.0 O = 1.00 15 0.516 0.75 0.182 0.0 O = 1.00 16 0.516 0.25 0.306 0.0 O = 1.00 17 0.631 0.25 0.1 0.0 O = 1.00 18 0.078 0.25 0.422 0.0 O = 1.00 Co-ordinates for all atomic positions : No NoP x/a y/b z/c 1 1 0.7592 0.75 0.1529 2 2 0.6048 0.75 0.4276 3 3 0.341 0.75 0.0508 4 4 0.68 0.25 0.2751 5 5 0.1837 0.75 0.317 6 6 0.0 0.0 0.0 7 7 0.0 0.0 0.5 8 8 0.2913 0.25 0.2237 9 9 0.2354 0.998 0.0455 10 10 0.3037 0.985 0.3532 11 11 0.7911 0.014 0.3439 12 12 0.053 0.25 0.135 13 13 0.039 0.75 0.142 14 14 0.063 0.75 0.404 15 15 0.516 0.75 0.182 16 16 0.516 0.25 0.306 17 17 0.631 0.25 0.1 18 18 0.078 0.25 0.422 19 1 0.2408 0.25 0.8471 20 2 0.3952 0.25 0.5724 21 3 0.659 0.25 0.9492 22 4 0.32 0.75 0.7249 23 5 0.8163 0.25 0.683 24 6 0.0 0.5 0.0 25 7 0.0 0.5 0.5 26 8 0.7087 0.75 0.7763 27 9 0.7646 0.498 0.9545 28 10 0.6963 0.485 0.6468 29 11 0.2089 0.514 0.6561 30 12 0.947 0.75 0.865 31 13 0.961 0.25 0.858 32 14 0.937 0.25 0.596 33 15 0.484 0.25 0.818 34 16 0.484 0.75 0.694 35 17 0.369 0.75 0.9 36 18 0.922 0.75 0.578 37 9 0.2354 0.502 0.0455 38 10 0.3037 0.515 0.3532 39 11 0.7911 0.486 0.3439 40 9 0.7646 0.002 0.9545 41 10 0.6963 0.015 0.6468 42 11 0.2089 0.986 0.6561 X-ray density (g/cm cub.) = 3.65 MU (1/cm) = 304.746 Mass attenuation coefficient (cm**2/g) = 83.588 Selected interatomic distances (cation-anion,anion-anion): NoP Atom Rad.sph. C.N. Distance NoP N. (angs.) (angs.) 1 Ca 2.88 7 2.3226 11 2.5088 13 2.7758 14 2.278 15 2.4403 9 2.3226 11 2.4403 9 2 Ca 2.88 8 2.7507 10 2.5852 11 2.2357 15 2.467 10 2.5408 18 2.7507 10 2.5852 11 2.467 10 3 Si 2.1 4 1.6435 9 1.5372 15 1.6279 17 1.6435 9 4 Si 2.1 4 1.5981 11 1.5986 16 1.6139 17 1.5981 11 5 Si 2.1 4 1.6138 10 1.6663 13 1.6345 14 1.6138 10 6 Al 2.316 6 1.9201 9 1.8464 12 1.9039 13 1.8464 12 1.9039 13 1.9201 9 7 Al 2.316 6 1.8344 11 1.8949 14 1.8558 18 1.8949 14 1.8558 18 1.8344 11 8 Fe 2.592 6 2.146 9 1.9265 10 1.8944 12 1.7864 16 2.146 9 1.9265 10 9 O 3.264 10 2.8718 10 2.557 12 2.686 13 2.6363 15 3.0522 16 2.7665 12 2.7218 13 2.6142 17 2.7851 9 2.7409 9 10 O 3.264 8 2.8718 9 2.7662 12 2.7131 13 2.7097 14 2.5699 16 2.7789 18 2.9288 10 2.5972 10 11 O 3.264 9 2.6415 14 2.6931 15 2.6291 16 2.5871 17 2.644 18 2.6332 14 2.5743 18 2.6083 11 2.9177 11 12 O 3.264 10 2.557 9 2.7662 10 2.768 13 2.768 13 2.782 18 2.7665 9 2.5311 13 2.557 9 2.7662 10 2.7665 9 13 O 3.264 10 2.686 9 2.7131 10 2.768 12 2.768 12 2.536 14 2.7218 9 2.5311 12 2.686 9 2.7131 10 2.7218 9 14 O 3.264 10 2.7097 10 2.6415 11 2.536 13 2.7683 18 2.7683 18 2.6332 11 2.5309 18 2.7097 10 2.6415 11 2.6332 11 15 O 3.264 9 2.6363 9 2.6931 11 3.0283 16 3.0283 16 3.1681 17 3.1681 17 2.55 17 2.6363 9 2.6931 11 16 O 3.264 9 3.0522 9 2.5699 10 2.6291 11 3.0283 15 3.0283 15 2.6538 17 3.0522 9 2.5699 10 2.6291 11 17 O 3.264 8 2.5871 11 3.1681 15 3.1681 15 2.6538 16 2.6142 9 2.55 15 2.5871 11 2.6142 9 18 O 3.264 10 2.7789 10 2.644 11 2.782 12 2.7683 14 2.7683 14 2.5743 11 2.5309 14 2.7789 10 2.644 11 2.5743 11 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 4.889 9.779 0.055 272.32 2 6.7 12.8 2 1 0 0 5.56 11.121 0.063 210.05 2 11.0 26.5 3 1 0 -1 5.621 11.243 0.064 205.48 2 20.7 91.7 4 1 0 1 8.858 17.716 0.1 81.41 2 20.1 33.9 5 1 0 -2 8.974 17.948 0.101 79.27 2 60.8 303.9 6 0 1 1 9.403 18.807 0.106 71.99 4 1.1 0.2 7 1 1 0 9.774 19.548 0.11 66.48 4 21.0 61.1 8 1 1 -1 9.809 19.618 0.111 65.99 4 18.6 47.1 9 0 0 2 9.815 19.63 0.111 65.91 2 9.8 6.5 10 2 0 -1 10.091 20.183 0.114 62.23 2 3.9 1.0 11 2 0 0 11.174 22.348 0.126 50.36 2 65.8 226.4 12 2 0 -2 11.298 22.595 0.127 49.22 2 62.5 199.4 13 1 1 1 11.988 23.976 0.135 43.48 4 25.7 59.6 14 1 1 -2 12.075 24.15 0.136 42.83 4 21.1 39.5 15 0 1 2 12.721 25.442 0.143 38.38 4 0.8 0.1 16 2 1 -1 12.938 25.877 0.145 37.04 4 71.8 396.4 17 1 0 2 13.254 26.509 0.149 35.2 2 49.8 90.6 18 1 0 -3 13.386 26.772 0.15 34.47 2 15.6 8.7 19 2 1 0 13.811 27.621 0.155 32.26 4 10.5 7.3 20 2 1 -2 13.912 27.824 0.156 31.76 4 10.1 6.7 21 2 0 1 14.05 28.1 0.158 31.1 2 57.6 106.9 22 2 0 -3 14.249 28.499 0.16 30.18 2 11.1 3.8 23 0 0 3 14.815 29.63 0.166 27.77 2 25.8 19.2 24 3 0 -1 15.407 30.815 0.172 25.53 2 15.3 6.2 25 3 0 -2 15.476 30.953 0.173 25.29 2 67.5 119.5 26 1 1 2 15.564 31.129 0.174 24.98 4 17.6 16.1 27 1 1 -3 15.678 31.356 0.175 24.59 4 142.6 1037.4 28 0 2 0 16.188 32.375 0.181 22.95 2 136.0 440.4 29 2 1 1 16.257 32.514 0.182 22.74 4 41.1 79.5 30 2 1 -3 16.432 32.863 0.184 22.22 4 28.6 37.6 31 3 0 0 16.899 33.798 0.189 20.91 2 97.0 204.2 32 0 1 3 16.932 33.863 0.189 20.82 4 89.9 348.8 33 0 2 1 16.949 33.898 0.189 20.78 4 14.1 8.5 34 3 0 -3 17.089 34.178 0.191 20.41 2 10.4 2.3 35 1 2 0 17.166 34.332 0.192 20.21 4 69.3 201.6 36 1 2 -1 17.187 34.374 0.192 20.15 4 0.2 0.0 37 3 1 -1 17.459 34.919 0.195 19.48 4 110.4 492.7 38 3 1 -2 17.521 35.042 0.195 19.33 4 23.1 21.4 39 2 0 2 17.937 35.875 0.2 18.36 2 102.3 199.4 40 1 0 3 18.045 36.089 0.201 18.12 2 1.6 0.1 41 2 0 -4 18.178 36.355 0.203 17.83 2 14.6 3.9 42 1 0 -4 18.184 36.369 0.203 17.82 2 39.2 28.3 43 1 2 1 18.571 37.143 0.207 17.01 4 11.5 4.6 44 1 2 -2 18.63 37.26 0.207 16.89 4 52.3 96.0 45 3 1 0 18.807 37.614 0.209 16.54 4 21.7 16.2 46 3 1 -3 18.98 37.96 0.211 16.21 4 99.8 334.6 47 0 2 2 19.073 38.146 0.212 16.04 4 90.1 270.2 48 2 2 -1 19.225 38.45 0.214 15.76 4 31.9 33.2 49 3 0 1 19.637 39.275 0.218 15.03 2 19.6 6.0 50 2 1 2 19.758 39.517 0.219 14.83 4 20.7 13.1 51 2 2 0 19.848 39.696 0.22 14.68 4 15.1 7.0 52 1 1 3 19.857 39.714 0.22 14.67 4 42.5 55.0 53 3 0 -4 19.915 39.831 0.221 14.57 2 33.0 16.5 54 2 2 -2 19.922 39.843 0.221 14.56 4 57.3 99.3 55 0 0 4 19.934 39.868 0.221 14.54 2 9.4 1.3 56 2 1 -4 19.98 39.96 0.222 14.47 4 42.1 53.1 57 1 1 -4 19.986 39.972 0.222 14.46 4 36.5 40.0 58 4 0 -2 20.514 41.028 0.227 13.64 2 27.4 10.6 59 4 0 -1 21.07 42.14 0.233 12.85 2 110.5 162.8 60 1 2 2 21.159 42.317 0.234 12.73 4 11.1 3.3 61 4 0 -3 21.211 42.421 0.235 12.66 2 33.1 14.4 62 1 2 -3 21.246 42.492 0.235 12.61 4 51.6 69.7 63 3 1 1 21.335 42.671 0.236 12.49 4 1.1 0.0 64 3 1 -4 21.595 43.191 0.239 12.16 4 10.5 2.8 65 0 1 4 21.613 43.226 0.239 12.14 4 22.0 12.2 66 2 2 1 21.695 43.391 0.24 12.03 4 82.7 170.7 67 2 2 -3 21.833 43.665 0.241 11.86 4 89.4 196.9 68 4 1 -2 22.157 44.314 0.245 11.48 4 13.9 4.6 69 0 2 3 22.228 44.456 0.246 11.4 4 81.1 155.6 70 2 0 3 22.406 44.813 0.247 11.19 2 73.8 63.2 71 3 2 -1 22.65 45.301 0.25 10.92 4 30.9 21.6 72 2 0 -5 22.673 45.346 0.25 10.9 2 20.0 4.5 73 4 1 -1 22.68 45.361 0.25 10.89 4 6.1 0.8 74 3 2 -2 22.7 45.4 0.25 10.87 4 23.9 12.9 75 4 0 0 22.804 45.608 0.252 10.76 2 82.0 75.1 76 4 1 -3 22.813 45.625 0.252 10.75 4 1.8 0.1 77 4 0 -4 23.067 46.134 0.254 10.48 2 28.4 8.8 78 1 0 4 23.095 46.19 0.255 10.45 2 32.7 11.6 79 1 0 -5 23.242 46.483 0.256 10.3 2 44.4 21.1 80 3 0 2 23.257 46.514 0.256 10.29 2 20.7 4.6 81 3 0 -5 23.597 47.193 0.26 9.95 2 54.0 30.1 82 3 2 0 23.751 47.502 0.261 9.81 4 21.7 9.6 83 3 2 -3 23.895 47.79 0.263 9.68 4 23.4 11.0 84 2 1 3 23.945 47.89 0.263 9.63 4 46.4 42.9 85 2 1 -5 24.199 48.397 0.266 9.4 4 8.3 1.3 86 4 1 0 24.323 48.647 0.267 9.29 4 3.8 0.3 87 2 2 2 24.546 49.091 0.27 9.1 4 79.9 120.6 88 4 1 -4 24.574 49.148 0.27 9.08 4 3.8 0.3 89 1 1 4 24.6 49.2 0.27 9.06 4 43.1 34.8 90 1 2 3 24.629 49.258 0.271 9.03 4 33.9 21.5 91 2 2 -4 24.732 49.465 0.272 8.95 4 90.5 152.2 92 1 2 -4 24.738 49.475 0.272 8.94 4 61.5 70.2 93 1 1 -5 24.74 49.48 0.272 8.94 4 49.2 44.9 94 3 1 2 24.755 49.51 0.272 8.93 4 49.3 45.1 95 3 1 -5 25.079 50.158 0.275 8.67 4 3.2 0.2 96 0 0 5 25.225 50.45 0.277 8.55 2 15.1 2.0 97 0 3 1 25.263 50.526 0.277 8.52 4 0.9 0.0 98 1 3 0 25.42 50.841 0.279 8.41 4 30.5 16.2 99 1 3 -1 25.435 50.871 0.279 8.39 4 10.2 1.8 100 4 0 1 25.528 51.056 0.28 8.32 2 24.0 5.0 101 3 2 1 25.89 51.78 0.283 8.06 4 28.2 13.3 102 4 0 -5 25.89 51.781 0.283 8.06 2 8.5 0.6 103 5 0 -2 26.074 52.148 0.285 7.93 2 82.5 56.0 104 3 2 -4 26.115 52.229 0.286 7.9 4 3.6 0.2 105 0 2 4 26.13 52.26 0.286 7.89 4 29.0 13.8 106 5 0 -3 26.149 52.297 0.286 7.88 2 22.1 4.0 107 1 3 1 26.463 52.927 0.289 7.67 4 27.0 11.6 108 1 3 -2 26.508 53.016 0.29 7.64 4 21.4 7.3 109 4 2 -2 26.603 53.206 0.291 7.58 4 37.8 22.5 110 0 1 5 26.64 53.281 0.291 7.55 4 39.0 23.8 111 0 3 2 26.846 53.691 0.293 7.42 4 1.0 0.0 112 4 1 1 26.932 53.864 0.294 7.37 4 7.1 0.8 113 2 3 -1 26.962 53.924 0.294 7.35 4 54.1 44.7 114 5 0 -1 27.041 54.082 0.295 7.3 2 7.1 0.4 115 4 2 -1 27.061 54.122 0.295 7.29 4 29.8 13.4 116 4 2 -3 27.177 54.355 0.296 7.22 4 25.8 10.0 117 5 0 -4 27.259 54.518 0.297 7.17 2 25.6 4.9 118 4 1 -5 27.281 54.563 0.298 7.16 4 61.5 56.2 119 2 0 4 27.293 54.587 0.298 7.15 2 37.3 10.3 120 2 3 0 27.445 54.89 0.299 7.06 4 10.4 1.6 121 5 1 -2 27.458 54.917 0.299 7.05 4 48.1 33.8 122 2 3 -2 27.503 55.005 0.3 7.03 4 5.9 0.5 123 3 0 3 27.514 55.028 0.3 7.02 2 27.6 5.6 124 5 1 -3 27.531 55.061 0.3 7.01 4 39.6 22.8 125 2 0 -6 27.582 55.164 0.301 6.98 2 64.1 29.8 126 3 0 -6 27.901 55.802 0.304 6.8 2 75.7 40.4 127 2 2 3 28.18 56.36 0.307 6.65 4 5.3 0.4 128 5 1 -1 28.393 56.786 0.309 6.54 4 107.9 157.9 129 1 0 5 28.406 56.812 0.309 6.53 2 49.0 16.3 130 2 2 -5 28.406 56.812 0.309 6.53 4 22.9 7.1 131 1 3 2 28.483 56.967 0.31 6.49 4 13.4 2.4 132 4 2 0 28.518 57.035 0.31 6.47 4 46.2 28.6 133 1 3 -3 28.554 57.107 0.31 6.45 4 99.7 132.9 134 1 0 -6 28.561 57.122 0.31 6.45 2 134.1 120.4 135 5 1 -4 28.604 57.208 0.311 6.43 4 24.5 8.0 136 2 1 4 28.637 57.275 0.311 6.41 4 36.4 17.6 137 4 2 -4 28.742 57.484 0.312 6.36 4 107.9 153.5 138 1 2 4 28.766 57.532 0.312 6.35 4 73.0 70.1 139 3 1 3 28.851 57.703 0.313 6.3 4 25.4 8.4 140 1 2 -5 28.892 57.783 0.314 6.28 4 8.0 0.8 141 3 2 2 28.905 57.81 0.314 6.28 4 61.0 48.5 142 2 3 1 28.917 57.833 0.314 6.27 4 33.0 14.2 143 2 1 -6 28.917 57.834 0.314 6.27 4 36.5 17.3 144 5 0 0 28.978 57.956 0.314 6.24 2 18.5 2.2 145 2 3 -3 29.028 58.056 0.315 6.22 4 22.0 6.3 146 4 0 2 29.048 58.096 0.315 6.21 2 14.2 1.3 147 3 2 -5 29.197 58.393 0.317 6.14 4 16.5 3.5 148 3 1 -6 29.227 58.453 0.317 6.12 4 7.8 0.8 149 5 0 -5 29.325 58.65 0.318 6.08 2 14.7 1.4 150 0 3 3 29.351 58.702 0.318 6.06 4 70.6 62.7 151 4 0 -6 29.491 58.981 0.32 6.0 2 144.2 129.4 152 3 3 -1 29.699 59.397 0.322 5.91 4 91.3 102.2 153 1 1 5 29.717 59.434 0.322 5.9 4 81.1 80.4 154 3 3 -2 29.74 59.479 0.322 5.89 4 32.0 12.5 155 1 1 -6 29.868 59.735 0.323 5.83 4 19.8 4.8 156 5 1 0 30.274 60.547 0.327 5.66 4 64.2 48.3 157 4 1 2 30.342 60.683 0.328 5.63 4 76.8 68.8 158 5 1 -5 30.611 61.223 0.331 5.52 4 19.9 4.5 159 0 2 5 30.614 61.229 0.331 5.52 4 11.1 1.4 160 3 3 0 30.616 61.232 0.331 5.52 4 24.1 6.6 161 3 3 -3 30.737 61.474 0.332 5.47 4 73.1 60.6 162 0 0 6 30.758 61.515 0.332 5.46 2 31.9 5.8 163 4 1 -6 30.773 61.546 0.332 5.46 4 6.7 0.5 164 4 2 1 30.882 61.763 0.333 5.41 4 8.1 0.7 165 4 2 -5 31.202 62.404 0.336 5.29 4 57.2 35.9 166 2 3 2 31.288 62.577 0.337 5.26 4 17.4 3.3 167 1 3 3 31.359 62.719 0.338 5.23 4 24.4 6.4 168 5 2 -2 31.365 62.73 0.338 5.23 4 21.5 5.0 169 5 2 -3 31.431 62.863 0.338 5.21 4 9.1 0.9 170 2 3 -4 31.448 62.896 0.339 5.2 4 29.2 9.2 171 1 3 -4 31.452 62.904 0.339 5.2 4 19.0 3.9 172 6 0 -3 31.713 63.425 0.341 5.11 2 52.0 14.3 173 5 0 1 31.774 63.548 0.342 5.08 2 12.0 0.8 174 0 1 6 32.01 64.019 0.344 5.0 4 4.4 0.2 175 6 0 -2 32.098 64.195 0.345 4.97 2 14.3 1.0 176 5 2 -1 32.229 64.457 0.346 4.93 4 20.9 4.5 177 5 0 -6 32.234 64.467 0.346 4.93 2 45.8 10.7 178 6 0 -4 32.255 64.509 0.346 4.92 2 94.3 45.4 179 3 0 4 32.294 64.589 0.347 4.91 2 54.0 14.8 180 5 2 -4 32.425 64.849 0.348 4.87 4 109.8 121.7 181 3 3 1 32.444 64.889 0.348 4.86 4 10.2 1.0 182 2 2 4 32.455 64.911 0.348 4.86 4 65.8 43.5 183 2 0 5 32.568 65.136 0.349 4.82 2 9.1 0.4 184 3 3 -4 32.64 65.279 0.35 4.8 4 6.4 0.4 185 0 3 4 32.653 65.305 0.35 4.79 4 13.9 1.9 186 3 2 3 32.654 65.308 0.35 4.79 4 43.9 19.2 187 2 2 -6 32.715 65.431 0.351 4.77 4 70.3 48.9 188 3 0 -7 32.724 65.448 0.351 4.77 2 12.2 0.7 189 2 0 -7 32.879 65.759 0.352 4.72 2 32.3 5.1 190 6 1 -3 32.945 65.889 0.353 4.7 4 8.0 0.6 191 3 2 -6 33.004 66.008 0.354 4.68 4 98.2 93.6 192 5 1 1 33.005 66.01 0.354 4.68 4 29.3 8.3 193 4 3 -2 33.066 66.131 0.354 4.66 4 6.7 0.4 194 4 0 3 33.23 66.461 0.356 4.62 2 55.5 14.8 195 6 1 -2 33.322 66.644 0.357 4.59 4 31.4 9.4 196 6 0 -1 33.392 66.785 0.357 4.57 2 21.4 2.2 197 5 1 -6 33.455 66.911 0.358 4.55 4 15.0 2.1 198 1 2 5 33.462 66.924 0.358 4.55 4 14.8 2.1 199 4 3 -1 33.468 66.936 0.358 4.55 4 6.6 0.4 200 6 1 -4 33.476 66.952 0.358 4.54 4 14.4 2.0 201 3 1 4 33.515 67.03 0.358 4.53 4 5.8 0.3 202 4 3 -3 33.57 67.141 0.359 4.52 4 1.0 0.0 203 1 2 -6 33.603 67.206 0.359 4.51 4 29.8 8.3 204 6 0 -5 33.7 67.399 0.36 4.48 2 44.1 9.0 205 4 0 -7 33.743 67.486 0.361 4.47 2 22.9 2.4 206 2 1 5 33.783 67.567 0.361 4.46 4 75.3 52.4 207 0 4 0 33.888 67.776 0.362 4.43 2 234.3 252.1 208 3 1 -7 33.937 67.873 0.362 4.42 4 40.7 15.2 209 5 2 0 33.984 67.968 0.363 4.4 4 52.2 24.9 210 1 0 6 34.036 68.072 0.363 4.39 2 20.0 1.8 211 4 2 2 34.048 68.096 0.363 4.39 4 139.7 177.7 212 2 1 -7 34.089 68.178 0.364 4.37 4 42.9 16.7 213 1 0 -7 34.201 68.402 0.365 4.35 2 29.9 4.0 214 5 2 -5 34.302 68.603 0.366 4.32 4 15.0 2.0 215 0 4 1 34.336 68.672 0.366 4.31 4 5.0 0.2 216 4 1 3 34.434 68.868 0.367 4.28 4 0.7 0.0 217 4 2 -6 34.454 68.907 0.367 4.28 4 42.8 16.3 218 2 3 3 34.46 68.92 0.367 4.28 4 37.4 12.4 219 1 4 0 34.467 68.933 0.367 4.28 4 5.3 0.3 220 1 4 -1 34.479 68.958 0.367 4.27 4 11.7 1.2 221 6 1 -1 34.593 69.186 0.369 4.24 4 39.0 13.4 222 2 3 -5 34.662 69.324 0.369 4.23 4 9.3 0.8 223 4 3 0 34.762 69.524 0.37 4.2 4 3.3 0.1 224 6 1 -5 34.896 69.791 0.371 4.17 4 5.6 0.3 225 4 1 -7 34.938 69.877 0.372 4.16 4 34.4 10.2 226 4 3 -4 34.963 69.926 0.372 4.15 4 1.5 0.0 227 1 3 4 34.984 69.969 0.372 4.15 4 43.8 16.5 228 1 3 -5 35.097 70.195 0.373 4.12 4 37.4 12.0 229 3 3 2 35.109 70.218 0.373 4.12 4 30.6 8.0 230 1 1 6 35.226 70.453 0.374 4.09 4 7.1 0.4 231 5 0 2 35.327 70.654 0.375 4.07 2 78.0 25.7 232 1 4 1 35.341 70.682 0.375 4.06 4 9.8 0.8 233 3 3 -5 35.372 70.744 0.376 4.06 4 10.5 0.9 234 1 4 -2 35.378 70.757 0.376 4.06 4 33.9 9.6 235 1 1 -7 35.389 70.778 0.376 4.05 4 6.5 0.4 236 6 0 0 35.547 71.094 0.377 4.02 2 28.4 3.4 237 0 2 6 35.624 71.247 0.378 4.0 4 67.8 38.2 238 0 4 2 35.665 71.33 0.378 3.99 4 3.7 0.1 239 2 4 -1 35.764 71.529 0.379 3.97 4 3.3 0.1 240 5 0 -7 35.888 71.776 0.381 3.94 2 10.5 0.4 241 6 0 -6 35.995 71.99 0.381 3.92 2 11.2 0.5 242 2 4 0 36.177 72.355 0.383 3.88 4 37.5 11.3 243 2 4 -2 36.227 72.454 0.384 3.87 4 35.9 10.4 244 5 1 2 36.499 72.998 0.386 3.82 4 12.1 1.2 245 6 2 -3 36.513 73.027 0.386 3.81 4 55.9 24.7 246 5 2 1 36.571 73.142 0.387 3.8 4 25.4 5.1 247 0 0 7 36.63 73.259 0.387 3.79 2 16.3 1.0 248 0 3 5 36.66 73.321 0.388 3.78 4 32.0 8.0 249 6 1 0 36.716 73.432 0.388 3.77 4 20.4 3.3 250 6 2 -2 36.874 73.748 0.39 3.74 4 74.8 43.5 251 4 3 1 36.905 73.81 0.39 3.74 4 7.8 0.5 252 5 2 -6 37.001 74.003 0.391 3.72 4 34.1 9.0 253 6 2 -4 37.021 74.043 0.391 3.72 4 67.6 35.2 254 5 1 -7 37.053 74.105 0.391 3.71 4 3.6 0.1 255 3 2 4 37.059 74.117 0.391 3.71 4 14.2 1.5 256 1 4 2 37.075 74.151 0.391 3.71 4 29.9 6.9 257 1 4 -3 37.137 74.274 0.392 3.69 4 10.8 0.9 258 6 1 -6 37.158 74.316 0.392 3.69 4 36.0 9.9 259 4 3 -5 37.2 74.399 0.392 3.68 4 51.7 20.4 260 2 2 5 37.316 74.631 0.393 3.66 4 26.0 5.1 261 5 3 -2 37.35 74.7 0.394 3.66 4 48.9 18.2 262 5 3 -3 37.411 74.822 0.394 3.64 4 28.2 6.0 263 2 4 1 37.454 74.909 0.395 3.64 4 38.1 11.0 264 3 2 -7 37.463 74.925 0.395 3.64 4 7.0 0.4 265 2 4 -3 37.552 75.104 0.396 3.62 4 2.7 0.1 266 3 0 5 37.584 75.168 0.396 3.61 2 73.9 20.5 267 2 2 -7 37.609 75.218 0.396 3.61 4 13.7 1.4 268 0 1 7 37.785 75.571 0.398 3.58 4 56.4 23.6 269 0 4 3 37.836 75.672 0.398 3.57 4 11.7 1.0 270 7 0 -3 37.891 75.782 0.399 3.56 2 25.8 2.5 271 4 2 3 37.94 75.881 0.399 3.55 4 78.1 45.0 272 7 0 -4 37.976 75.952 0.399 3.55 2 36.3 4.9 273 4 0 4 38.021 76.043 0.4 3.54 2 64.5 15.3 274 3 0 -8 38.059 76.118 0.4 3.53 2 96.2 33.9 275 6 2 -1 38.094 76.187 0.4 3.53 4 41.3 12.5 276 3 4 -1 38.143 76.287 0.401 3.52 4 9.4 0.6 277 5 3 -1 38.149 76.297 0.401 3.52 4 98.5 70.8 278 3 4 -2 38.18 76.36 0.401 3.51 4 49.4 17.8 279 2 0 6 38.281 76.561 0.402 3.5 2 68.5 17.0 280 5 3 -4 38.331 76.662 0.403 3.49 4 14.5 1.5 281 2 3 4 38.359 76.719 0.403 3.49 4 32.2 7.5 282 6 2 -5 38.385 76.77 0.403 3.48 4 97.2 68.2 283 4 2 -7 38.426 76.852 0.403 3.48 4 3.2 0.1 284 6 0 1 38.505 77.01 0.404 3.46 2 26.9 2.6 285 3 3 3 38.545 77.089 0.404 3.46 4 26.3 4.9 286 2 3 -6 38.602 77.203 0.405 3.45 4 30.0 6.4 287 4 0 -8 38.604 77.207 0.405 3.45 2 22.9 1.9 288 2 0 -8 38.62 77.24 0.405 3.45 2 65.3 15.3 289 7 0 -2 38.662 77.324 0.406 3.44 2 1.5 0.0 290 1 2 6 38.704 77.408 0.406 3.43 4 41.7 12.4 291 3 1 5 38.73 77.459 0.406 3.43 4 12.9 1.2 292 1 2 -7 38.861 77.722 0.407 3.41 4 12.5 1.1 293 3 3 -6 38.871 77.742 0.407 3.41 4 12.7 1.1 294 7 0 -5 38.916 77.832 0.408 3.4 2 8.9 0.3 295 3 4 0 38.961 77.922 0.408 3.4 4 66.6 31.3 296 7 1 -3 39.034 78.068 0.409 3.38 4 5.9 0.2 297 3 4 -3 39.07 78.139 0.409 3.38 4 6.0 0.2 298 6 0 -7 39.085 78.17 0.409 3.38 2 13.8 0.7 299 7 1 -4 39.118 78.237 0.41 3.37 4 25.6 4.6 300 4 1 4 39.163 78.326 0.41 3.37 4 16.7 2.0 301 3 1 -8 39.2 78.401 0.41 3.36 4 7.6 0.4 302 1 3 5 39.3 78.601 0.411 3.35 4 71.7 35.7 303 2 1 6 39.42 78.84 0.412 3.33 4 28.7 5.7 304 1 3 -6 39.433 78.865 0.412 3.33 4 8.8 0.5 305 2 4 2 39.566 79.133 0.413 3.31 4 81.5 45.6 306 5 0 3 39.581 79.162 0.414 3.31 2 4.5 0.1 307 1 4 3 39.63 79.261 0.414 3.3 4 2.8 0.1 308 6 1 1 39.643 79.286 0.414 3.3 4 3.3 0.1 309 2 4 -4 39.71 79.421 0.415 3.29 4 4.0 0.1 310 1 4 -4 39.714 79.429 0.415 3.29 4 32.9 7.4 311 4 1 -8 39.74 79.481 0.415 3.29 4 18.4 2.3 312 2 1 -8 39.757 79.513 0.415 3.29 4 10.9 0.8 313 5 3 0 39.791 79.582 0.415 3.28 4 56.7 21.9 314 7 1 -2 39.798 79.597 0.415 3.28 4 15.1 1.5 315 4 3 2 39.851 79.703 0.416 3.27 4 62.5 26.6 316 5 2 2 39.937 79.873 0.417 3.26 4 32.1 7.0 317 7 1 -5 40.05 80.1 0.418 3.25 4 4.1 0.1 318 5 3 -5 40.091 80.182 0.418 3.24 4 7.3 0.4 319 1 0 7 40.093 80.187 0.418 3.24 2 7.6 0.2 320 6 2 0 40.148 80.295 0.419 3.24 4 16.5 1.8 321 6 1 -7 40.218 80.436 0.419 3.23 4 76.6 39.3 322 4 3 -6 40.235 80.469 0.419 3.23 4 5.3 0.2 323 5 0 -8 40.241 80.481 0.419 3.23 2 2.0 0.0 324 1 0 -8 40.273 80.546 0.42 3.22 2 14.4 0.7 325 7 0 -1 40.275 80.549 0.42 3.22 2 20.1 1.3 326 5 2 -7 40.475 80.95 0.421 3.2 4 24.3 3.9 327 6 2 -6 40.578 81.156 0.422 3.19 4 42.3 11.9 328 3 4 1 40.618 81.237 0.423 3.18 4 16.0 1.7 329 7 0 -6 40.693 81.386 0.423 3.17 2 2.4 0.0 330 5 1 3 40.711 81.421 0.423 3.17 4 9.3 0.6 331 3 4 -4 40.797 81.595 0.424 3.16 4 35.9 8.4 332 0 4 4 40.809 81.619 0.424 3.16 4 7.1 0.3 333 4 4 -2 41.189 82.379 0.427 3.12 4 6.4 0.3 334 0 2 7 41.19 82.38 0.427 3.12 4 66.4 28.5 335 1 1 7 41.22 82.439 0.428 3.11 4 16.8 1.8 336 0 3 6 41.346 82.693 0.429 3.1 4 6.2 0.2 337 5 1 -8 41.366 82.732 0.429 3.1 4 3.0 0.1 338 1 1 -8 41.398 82.796 0.429 3.1 4 3.0 0.1 339 7 1 -1 41.4 82.8 0.429 3.1 4 14.3 1.3 340 4 4 -1 41.561 83.123 0.431 3.08 4 62.1 24.7 341 4 4 -3 41.657 83.313 0.431 3.07 4 17.0 1.8 342 7 1 -6 41.816 83.631 0.433 3.06 4 39.8 10.0 343 3 2 5 42.115 84.229 0.435 3.03 4 39.3 9.7 344 6 3 -3 42.199 84.398 0.436 3.02 4 6.2 0.2 345 6 0 2 42.232 84.464 0.436 3.02 2 18.4 1.1 346 5 3 1 42.254 84.508 0.436 3.02 4 32.1 6.5 347 7 2 -3 42.413 84.827 0.438 3.0 4 48.4 14.6 348 2 4 3 42.486 84.971 0.438 3.0 4 38.9 9.4 349 7 2 -4 42.496 84.992 0.439 2.99 4 3.6 0.1 350 4 2 4 42.54 85.08 0.439 2.99 4 28.4 5.0 351 6 3 -2 42.546 85.091 0.439 2.99 4 28.0 4.9 352 3 2 -8 42.577 85.154 0.439 2.99 4 45.5 12.8 353 5 3 -6 42.669 85.337 0.44 2.98 4 8.5 0.4 354 2 4 -5 42.675 85.35 0.44 2.98 4 11.2 0.8 355 6 3 -4 42.688 85.376 0.44 2.98 4 14.2 1.2 356 7 0 0 42.708 85.417 0.44 2.98 2 7.1 0.2 357 3 3 4 42.724 85.448 0.44 2.98 4 3.6 0.1 358 4 4 0 42.769 85.538 0.441 2.97 4 51.3 16.3 359 2 2 6 42.793 85.586 0.441 2.97 4 29.1 5.2 360 6 0 -8 42.942 85.885 0.442 2.96 2 76.5 18.0 361 4 4 -4 42.958 85.917 0.442 2.96 4 19.4 2.3 362 2 3 5 42.972 85.944 0.442 2.96 4 65.9 26.7 363 1 4 4 42.978 85.957 0.443 2.96 4 21.4 2.8 364 0 0 8 42.99 85.981 0.443 2.95 2 8.4 0.2 365 6 2 1 43.012 86.024 0.443 2.95 4 17.9 2.0 366 1 4 -5 43.085 86.17 0.443 2.95 4 26.3 4.2 367 3 4 2 43.096 86.192 0.443 2.95 4 12.5 1.0 368 4 2 -8 43.108 86.216 0.444 2.95 4 24.8 3.7 369 3 3 -7 43.114 86.228 0.444 2.95 4 37.4 8.5 370 2 2 -8 43.124 86.248 0.444 2.94 4 23.2 3.3 371 7 2 -2 43.165 86.331 0.444 2.94 4 23.8 3.4 372 2 3 -7 43.256 86.512 0.445 2.93 4 38.1 8.9 373 7 0 -7 43.288 86.576 0.445 2.93 2 15.2 0.7 374 3 4 -5 43.344 86.689 0.446 2.93 4 34.1 7.1 375 6 1 2 43.348 86.697 0.446 2.93 4 18.2 2.0 376 7 2 -5 43.414 86.827 0.446 2.92 4 15.8 1.5 377 4 0 5 43.453 86.907 0.446 2.92 2 11.3 0.4 378 3 0 6 43.458 86.915 0.446 2.92 2 4.0 0.0 379 4 3 3 43.577 87.155 0.447 2.91 4 1.6 0.0 380 6 2 -7 43.58 87.159 0.447 2.91 4 6.9 0.3 381 6 3 -1 43.726 87.453 0.449 2.9 4 34.8 7.3 382 7 1 0 43.824 87.648 0.449 2.9 4 69.7 29.2 383 3 0 -9 43.989 87.978 0.451 2.89 2 21.0 1.3 384 6 3 -5 44.01 88.019 0.451 2.88 4 2.6 0.0 385 4 3 -7 44.05 88.1 0.451 2.88 4 30.8 5.7 386 6 1 -8 44.057 88.114 0.451 2.88 4 33.0 6.5 387 5 2 3 44.066 88.133 0.451 2.88 4 10.9 0.7 388 0 1 8 44.105 88.21 0.452 2.88 4 48.7 14.2 389 4 0 -9 44.115 88.23 0.452 2.88 2 8.1 0.2 390 1 3 6 44.321 88.642 0.454 2.86 4 11.3 0.8 391 7 1 -7 44.402 88.805 0.454 2.86 4 63.0 23.6 392 1 3 -7 44.474 88.949 0.455 2.86 4 11.2 0.7 393 8 0 -4 44.498 88.995 0.455 2.85 2 9.5 0.3 394 5 0 4 44.549 89.099 0.455 2.85 2 2.2 0.0 395 2 0 7 44.562 89.124 0.455 2.85 2 49.0 7.1 396 4 1 5 44.567 89.135 0.456 2.85 4 46.8 13.0 397 1 2 7 44.57 89.141 0.456 2.85 4 1.8 0.0 398 0 4 5 44.57 89.141 0.456 2.85 4 8.5 0.4 399 3 1 6 44.572 89.143 0.456 2.85 4 30.6 5.5 400 0 5 1 44.6 89.2 0.456 2.85 4 1.6 0.0 401 5 2 -8 44.715 89.431 0.457 2.84 4 60.6 21.6 402 1 5 0 44.722 89.443 0.457 2.84 4 2.3 0.0 403 1 5 -1 44.733 89.467 0.457 2.84 4 11.4 0.8 404 1 2 -8 44.747 89.495 0.457 2.84 4 52.4 16.2 405 7 2 -1 44.749 89.498 0.457 2.84 4 25.4 3.8 406 4 4 1 44.805 89.611 0.457 2.84 4 8.7 0.4 407 8 0 -3 44.819 89.639 0.458 2.84 2 89.1 23.4 408 2 0 -9 44.94 89.88 0.459 2.83 2 43.7 5.6 X-ray diffraction powder data (I)...X-Ray wave length = 1.54056 (angs.): No H K L Theta 2*Theta d I int I int.n. I p.h.n. H(Si) ( degree ) (angstrem) *100 *100 1 0 0 1 4.889 9.779 9.03721 12.8 1.2 1.2 5.6 2 1 0 0 5.56 11.121 7.9496 26.5 2.6 2.6 5.6 3 1 0 -1 5.621 11.243 7.86382 91.7 8.8 9.0 5.6 4 1 0 1 8.858 17.716 5.00218 33.9 3.3 3.3 5.6 5 1 0 -2 8.974 17.948 4.93826 303.9 29.3 29.6 5.6 6 1 1 0 9.774 19.548 4.53743 61.1 5.9 5.9 5.6 7 1 1 -1 9.809 19.618 4.52131 53.7 5.2 5.2 5.6 8 2 0 0 11.174 22.348 3.9748 226.4 21.8 22.0 5.6 9 2 0 -2 11.298 22.595 3.93191 199.4 19.2 19.4 5.6 10 1 1 1 11.988 23.976 3.70847 59.6 5.7 5.8 5.6 11 1 1 -2 12.075 24.15 3.6822 39.5 3.8 3.8 5.6 12 2 1 -1 12.938 25.877 3.44026 396.4 38.2 38.4 5.6 13 1 0 2 13.254 26.509 3.35966 90.6 8.7 8.8 5.6 14 2 0 1 14.05 28.1 3.17287 106.9 10.3 10.3 5.6 15 0 0 3 14.815 29.63 3.0124 19.2 1.8 1.9 5.6 16 3 0 -2 15.476 30.953 2.88666 119.5 11.5 11.5 5.6 17 1 1 2 15.564 31.129 2.87074 16.1 1.5 1.5 5.6 18 1 1 -3 15.678 31.356 2.85043 1037.4 100.0 100.0 5.6 19 0 2 0 16.188 32.375 2.763 440.4 42.5 42.4 5.6 20 2 1 1 16.257 32.514 2.75157 79.5 7.7 7.7 5.6 21 2 1 -3 16.432 32.863 2.72309 37.6 3.6 3.6 5.6 22 3 0 0 16.899 33.798 2.64987 204.2 19.7 19.6 5.7 23 0 1 3 16.932 33.863 2.64493 357.3 34.4 34.4 5.7 24 1 2 0 17.166 34.332 2.60986 201.6 19.4 19.4 5.7 25 3 1 -1 17.459 34.919 2.56736 492.7 47.5 47.3 5.7 26 3 1 -2 17.521 35.042 2.5586 21.4 2.1 2.1 5.7 27 2 0 2 17.937 35.875 2.50109 199.4 19.2 19.1 5.7 28 1 0 -4 18.184 36.369 2.46825 32.3 3.1 3.1 5.7 29 1 2 -2 18.63 37.26 2.41124 96.0 9.3 9.2 5.7 30 3 1 0 18.807 37.614 2.38936 16.2 1.6 1.6 5.7 31 3 1 -3 18.98 37.96 2.36833 334.6 32.3 32.1 5.7 32 0 2 2 19.073 38.146 2.35724 270.2 26.0 25.9 5.7 33 2 2 -1 19.225 38.45 2.33932 33.2 3.2 3.2 5.7 34 2 1 2 19.758 39.517 2.27857 13.1 1.3 1.3 5.7 35 1 1 3 19.857 39.714 2.26769 62.0 6.0 5.9 5.7 36 2 2 -2 19.922 39.843 2.26065 117.1 11.3 11.2 5.7 37 2 1 -4 19.98 39.96 2.25433 93.1 9.0 8.9 5.7 38 4 0 -2 20.514 41.028 2.19804 10.6 1.0 1.0 5.7 39 4 0 -1 21.07 42.14 2.14257 162.8 15.7 15.5 5.7 40 4 0 -3 21.211 42.421 2.12905 14.4 1.4 1.4 5.7 41 1 2 -3 21.246 42.492 2.12564 69.7 6.7 6.7 5.7 42 0 1 4 21.613 43.226 2.09127 15.0 1.4 1.4 5.7 43 2 2 1 21.695 43.391 2.08368 170.7 16.5 16.3 5.7 44 2 2 -3 21.833 43.665 2.07123 196.9 19.0 18.8 5.7 45 0 2 3 22.228 44.456 2.03621 155.6 15.0 14.8 5.7 46 2 0 3 22.406 44.813 2.02082 63.2 6.1 6.0 5.7 47 3 2 -1 22.65 45.301 2.00017 26.2 2.5 2.5 5.7 48 3 2 -2 22.7 45.4 1.99602 12.9 1.2 1.2 5.7 49 4 0 0 22.804 45.608 1.9874 75.1 7.2 7.1 5.7 50 1 0 4 23.095 46.19 1.96373 20.3 2.0 1.9 5.7 51 1 0 -5 23.242 46.483 1.95201 25.6 2.5 2.4 5.7 52 3 0 -5 23.597 47.193 1.92428 30.1 2.9 2.9 5.7 53 3 2 -3 23.895 47.79 1.90165 11.0 1.1 1.0 5.7 54 2 1 3 23.945 47.89 1.89789 42.9 4.1 4.1 5.7 55 2 2 2 24.546 49.091 1.85424 120.8 11.6 11.4 5.7 56 1 1 4 24.6 49.2 1.85037 56.4 5.4 5.3 5.7 57 2 2 -4 24.732 49.465 1.8411 312.4 30.1 29.6 5.7 58 1 3 0 25.42 50.841 1.79446 18.1 1.7 1.7 5.8 59 3 2 1 25.89 51.78 1.76408 13.9 1.3 1.3 5.8 60 5 0 -2 26.074 52.148 1.7525 56.0 5.4 5.3 5.8 61 0 2 4 26.13 52.26 1.74902 17.8 1.7 1.7 5.8 62 1 3 1 26.463 52.927 1.72853 11.6 1.1 1.1 5.8 63 4 2 -2 26.603 53.206 1.72013 22.5 2.2 2.1 5.8 64 0 1 5 26.64 53.281 1.71789 23.8 2.3 2.2 5.8 65 2 3 -1 26.962 53.924 1.69889 44.7 4.3 4.2 5.8 66 4 2 -1 27.061 54.122 1.69315 13.4 1.3 1.3 5.8 67 4 1 -5 27.281 54.563 1.68052 71.4 6.9 6.7 5.8 68 5 1 -2 27.458 54.917 1.67051 35.4 3.4 3.3 5.8 69 5 1 -3 27.531 55.061 1.66648 28.3 2.7 2.7 5.8 70 2 0 -6 27.582 55.164 1.66362 29.8 2.9 2.8 5.8 71 3 0 -6 27.901 55.802 1.64609 40.4 3.9 3.8 5.8 72 5 1 -1 28.393 56.786 1.61987 181.3 17.5 17.0 5.8 73 4 2 0 28.518 57.035 1.61339 28.6 2.8 2.7 5.8 74 1 3 -3 28.554 57.107 1.61152 253.3 24.4 23.7 5.8 75 2 1 4 28.637 57.275 1.60721 17.6 1.7 1.6 5.8 76 4 2 -4 28.742 57.484 1.60185 223.6 21.6 20.9 5.8 77 3 2 2 28.905 57.81 1.59361 80.0 7.7 7.5 5.8 78 0 3 3 29.351 58.702 1.57149 64.1 6.2 6.0 5.8 79 4 0 -6 29.491 58.981 1.56472 129.4 12.5 12.1 5.8 80 3 3 -1 29.699 59.397 1.55475 182.6 17.6 17.1 5.8 81 3 3 -2 29.74 59.479 1.5528 12.5 1.2 1.2 5.8 82 5 1 0 30.274 60.547 1.52794 48.3 4.7 4.5 5.8 83 4 1 2 30.342 60.683 1.52484 68.8 6.6 6.4 5.8 84 3 3 0 30.616 61.232 1.51248 12.6 1.2 1.2 5.8 85 3 3 -3 30.737 61.474 1.5071 66.4 6.4 6.2 5.8 86 4 2 -5 31.202 62.404 1.48686 35.9 3.5 3.3 5.8 87 1 3 3 31.359 62.719 1.48016 11.4 1.1 1.1 5.8 88 2 3 -4 31.448 62.896 1.47642 13.1 1.3 1.2 5.9 89 6 0 -3 31.713 63.425 1.46536 14.3 1.4 1.3 5.9 90 6 0 -4 32.255 64.509 1.44333 60.6 5.8 5.6 5.9 91 3 0 4 32.294 64.589 1.44174 14.8 1.4 1.4 5.9 92 5 2 -4 32.425 64.849 1.43658 122.7 11.8 11.4 5.9 93 2 2 4 32.455 64.911 1.43537 43.5 4.2 4.0 5.9 94 3 2 3 32.654 65.308 1.42759 21.1 2.0 1.9 5.9 95 2 2 -6 32.715 65.431 1.42521 49.7 4.8 4.6 5.9 96 3 2 -6 33.004 66.008 1.41415 101.9 9.8 9.4 5.9 97 4 0 3 33.23 66.461 1.4056 14.8 1.4 1.4 5.9 98 2 1 5 33.783 67.567 1.38526 52.4 5.0 4.8 5.9 99 0 4 0 33.888 67.776 1.3815 252.1 24.3 23.2 5.9 100 3 1 -7 33.937 67.873 1.37975 15.2 1.5 1.4 5.9 101 5 2 0 33.984 67.968 1.37805 24.9 2.4 2.3 5.9 102 4 2 2 34.048 68.096 1.37578 179.5 17.3 16.5 5.9 103 2 1 -7 34.089 68.178 1.37432 16.7 1.6 1.5 5.9 104 4 2 -6 34.454 68.907 1.36155 30.1 2.9 2.8 5.9 105 6 1 -1 34.593 69.186 1.35673 13.4 1.3 1.2 5.9 106 1 3 4 34.984 69.969 1.34347 16.5 1.6 1.5 5.9 107 1 3 -5 35.097 70.195 1.33969 20.0 1.9 1.8 5.9 108 5 0 2 35.327 70.654 1.3321 26.5 2.6 2.4 5.9 109 0 2 6 35.624 71.247 1.32247 38.2 3.7 3.5 5.9 110 2 4 0 36.177 72.355 1.30493 11.3 1.1 1.0 5.9 111 6 2 -3 36.513 73.027 1.29456 25.8 2.5 2.4 6.0 112 6 2 -2 36.874 73.748 1.28368 43.5 4.2 4.0 6.0 113 6 2 -4 37.021 74.043 1.2793 44.2 4.3 4.0 6.0 114 4 3 -5 37.2 74.399 1.27404 20.4 2.0 1.9 6.0 115 5 3 -2 37.35 74.7 1.26967 18.2 1.8 1.7 6.0 116 2 4 1 37.454 74.909 1.26664 11.3 1.1 1.0 6.0 117 3 0 5 37.584 75.168 1.26292 21.9 2.1 2.0 6.0 118 0 1 7 37.785 75.571 1.25718 23.6 2.3 2.1 6.0 119 4 2 3 37.94 75.881 1.25281 45.0 4.3 4.1 6.0 120 4 0 4 38.021 76.043 1.25055 15.3 1.5 1.4 6.0 121 3 0 -8 38.059 76.118 1.2495 33.9 3.3 3.1 6.0 122 6 2 -1 38.094 76.187 1.24853 12.5 1.2 1.1 6.0 123 5 3 -1 38.149 76.297 1.247 70.8 6.8 6.4 6.0 124 3 4 -2 38.18 76.36 1.24614 17.8 1.7 1.6 6.0 125 2 0 6 38.281 76.561 1.24336 17.0 1.6 1.5 6.0 126 6 2 -5 38.385 76.77 1.2405 77.2 7.4 7.0 6.0 127 2 0 -8 38.62 77.24 1.23412 23.6 2.3 2.1 6.0 128 1 2 6 38.704 77.408 1.23186 13.6 1.3 1.2 6.0 129 3 4 0 38.961 77.922 1.22501 31.3 3.0 2.8 6.0 130 1 3 5 39.3 78.601 1.21613 35.7 3.4 3.2 6.0 131 2 4 2 39.566 79.133 1.20929 45.7 4.4 4.1 6.0 132 5 3 0 39.791 79.582 1.20358 23.5 2.3 2.1 6.0 133 4 3 2 39.851 79.703 1.20206 26.6 2.6 2.4 6.0 134 6 1 -7 40.218 80.436 1.19294 39.5 3.8 3.6 6.0 135 6 2 -6 40.578 81.156 1.18417 11.9 1.1 1.1 6.1 136 0 2 7 41.19 82.38 1.16965 30.3 2.9 2.7 6.1 137 4 4 -1 41.561 83.123 1.16107 24.7 2.4 2.2 6.1 138 7 2 -3 42.413 84.827 1.14205 14.6 1.4 1.3 6.1 139 3 2 -8 42.577 85.154 1.1385 12.8 1.2 1.1 6.1 140 4 4 0 42.769 85.538 1.13436 21.5 2.1 1.9 6.1 141 2 3 5 42.972 85.944 1.13003 49.9 4.8 4.4 6.1 142 3 3 -7 43.114 86.228 1.12704 20.8 2.0 1.8 6.1 143 7 1 0 43.824 87.648 1.11241 29.2 2.8 2.6 6.2 144 6 1 -8 44.057 88.114 1.10772 12.9 1.2 1.1 6.2 145 0 1 8 44.105 88.21 1.10676 14.4 1.4 1.3 6.2 146 7 1 -7 44.402 88.805 1.10088 23.6 2.3 2.1 6.2 147 4 1 5 44.567 89.135 1.09766 26.0 2.5 2.3 6.2 148 5 2 -8 44.715 89.431 1.09479 22.4 2.2 2.0 6.2 149 1 2 -8 44.747 89.495 1.09418 20.0 1.9 1.8 6.2 150 8 0 -3 44.819 89.639 1.09279 23.4 2.3 2.1 6.2 Reference: Chichagov A.V. et al. Information-Calculating System on Crystal Structure Data of Minerals (MINCRYST) - Kristallographiya, v.35, n.3, 1990, p.610-616 (in Russian) |