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 *** *********************** KANOITE 5, t-pigeonite, at 0.0 GPa, f-pyroxenes, sf-Mg-Fe-pyroxenes, s-clinoenstatite [Mn(0.84)Mg(1.16)]Si(2)O(6) Monoclinic P 2(1)/c Z = 4 P2(1)/c 17 .7 .1901 Ref.Str.: Th. Arlt, R.J. Angel et al. (1998) * Amer. Mineral., 83, 1176-1181 Reserv: N.A.D. Initial data from BDM-file Lattice parameters (cub. angs.,degr.): a = 9.8196 alpha = 90.0 b = 8.9172 beta = 108.5 c = 5.2465 gamma = 90.0 Unit cell volume (cub. angs.) = 435.65 Molar volume ( cub.cm/mol.) = 65.6 Co-ordinates, thermal parameters, occupation for atomic positions: NoP x/a y/b z/c B(j) atom / occupation 1 0.2506 0.6537 0.2279 0.58 Mg = 0.9 , Mn = 0.1 2 0.2549 0.0203 0.2269 0.82 Mg = 0.26, Mn = 0.74 3 0.0422 0.3406 0.2806 0.63 Si = 1.00 4 0.5496 0.8377 0.2358 0.64 Si = 1.00 5 0.8671 0.3378 0.1725 0.77 O = 1.00 6 0.3741 0.8382 0.1312 0.82 O = 1.00 7 0.1188 0.5006 0.3237 0.91 O = 1.00 8 0.6281 0.9881 0.3715 0.96 O = 1.00 9 0.1042 0.2677 0.5875 0.89 O = 1.00 10 0.6047 0.7066 0.4751 0.88 O = 1.00 Co-ordinates for all atomic positions : No NoP x/a y/b z/c 1 1 0.2506 0.6537 0.2279 2 2 0.2549 0.0203 0.2269 3 3 0.0422 0.3406 0.2806 4 4 0.5496 0.8377 0.2358 5 5 0.8671 0.3378 0.1725 6 6 0.3741 0.8382 0.1312 7 7 0.1188 0.5006 0.3237 8 8 0.6281 0.9881 0.3715 9 9 0.1042 0.2677 0.5875 10 10 0.6047 0.7066 0.4751 11 1 0.7494 0.1537 0.2721 12 2 0.7451 0.5203 0.2731 13 3 0.9578 0.8406 0.2194 14 4 0.4504 0.3377 0.2642 15 5 0.1329 0.8378 0.3275 16 6 0.6259 0.3382 0.3688 17 7 0.8812 0.0006 0.1763 18 8 0.3719 0.4881 0.1285 19 9 0.8958 0.7677 0.9125 20 10 0.3953 0.2066 0.0249 21 1 0.2506 0.8463 0.7279 22 2 0.2549 0.4797 0.7269 23 3 0.0422 0.1594 0.7806 24 4 0.5496 0.6623 0.7358 25 5 0.8671 0.1622 0.6725 26 6 0.3741 0.6618 0.6312 27 7 0.1188 0.9994 0.8237 28 8 0.6281 0.5119 0.8715 29 9 0.1042 0.2323 0.0875 30 10 0.6047 0.7934 0.9751 31 1 0.7494 0.3463 0.7721 32 2 0.7451 0.9797 0.7731 33 3 0.9578 0.6594 0.7194 34 4 0.4504 0.1623 0.7642 35 5 0.1329 0.6622 0.8275 36 6 0.6259 0.1618 0.8688 37 7 0.8812 0.4994 0.6763 38 8 0.3719 0.0119 0.6285 39 9 0.8958 0.7323 0.4125 40 10 0.3953 0.2934 0.5249 X-ray density (g/cm cub.) = 3.45 MU (1/cm) = 286.654 Mass attenuation coefficient (cm**2/g) = 82.987 Selected interatomic distances (cation-anion,anion-anion): NoP Atom Rad.sph. C.N. Distance NoP N. (angs.) (angs.) 1 Mg ,Mn 2.724 6 2.1964 6 2.0508 7 2.1653 5 2.065 8 2.0793 6 2.0527 5 2 Mg ,Mn 2.724 6 2.1525 6 2.1824 5 2.5907 10 2.1215 7 2.3686 9 2.0564 8 3 Si 2.1 4 1.6308 5 1.5951 7 1.6624 9 1.6497 9 4 Si 2.1 4 1.6341 6 1.597 8 1.6749 10 1.6703 10 5 O 3.264 11 2.757 7 2.7082 9 2.8668 6 3.0098 7 3.0551 5 3.0551 5 2.8389 8 2.6765 9 2.8664 6 2.9749 7 3.0169 7 6 O 3.264 11 2.757 8 2.677 10 2.8668 5 3.122 8 3.0587 6 3.0587 6 2.8959 7 2.6711 10 2.8664 5 3.0402 8 3.0528 8 7 O 3.264 10 2.757 5 2.5249 9 3.0098 5 2.9755 8 2.8959 6 2.6772 9 2.9749 5 3.0169 5 3.151 9 3.175 10 8 O 3.264 10 2.757 6 2.5939 10 3.122 6 2.9755 7 3.1129 10 2.8389 5 2.6625 10 3.0402 6 3.0528 6 3.2164 8 9 O 3.264 9 2.7082 5 2.5249 7 3.0935 10 2.6765 5 2.6772 7 2.6422 9 2.6422 9 3.151 7 2.9879 10 10 O 3.264 10 2.677 6 2.5939 8 3.1129 8 3.0935 9 2.6711 6 2.6625 8 2.7351 10 2.7351 10 3.175 7 2.9879 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 1 0 0 4.745 9.49 0.054 289.3 2 1.7 0.8 2 1 1 0 6.869 13.738 0.078 136.86 4 5.1 7.4 3 2 0 0 9.523 19.046 0.107 70.15 2 27.6 56.2 4 0 2 0 9.948 19.897 0.112 64.09 2 6.7 3.0 5 1 1 -1 9.999 19.997 0.113 63.43 4 29.7 118.1 6 0 1 1 10.212 20.424 0.115 60.72 4 20.6 54.2 7 2 1 0 10.756 21.513 0.121 54.52 4 4.9 2.8 8 1 2 0 11.043 22.086 0.124 51.61 4 1.9 0.4 9 2 1 -1 11.903 23.807 0.134 44.13 4 1.0 0.1 10 1 1 1 12.44 24.88 0.14 40.23 4 10.8 9.9 11 1 2 -1 13.25 26.499 0.149 35.22 4 17.3 22.1 12 0 2 1 13.414 26.828 0.151 34.31 4 55.5 222.5 13 2 2 0 13.839 27.679 0.155 32.12 4 91.8 570.7 14 3 0 0 14.369 28.737 0.161 29.65 2 12.4 4.8 15 2 2 -1 14.762 29.525 0.165 27.99 4 135.1 1076.5 16 3 1 -1 15.187 30.374 0.17 26.34 4 91.6 465.6 17 1 2 1 15.205 30.41 0.17 26.27 4 15.8 13.8 18 3 1 0 15.234 30.468 0.171 26.16 4 96.4 512.5 19 1 3 0 15.785 31.57 0.177 24.24 4 5.8 1.7 20 2 1 1 15.901 31.802 0.178 23.86 4 7.2 2.6 21 1 0 -2 17.1 34.201 0.191 20.38 2 23.7 12.0 22 1 3 -1 17.441 34.883 0.195 19.52 4 101.1 420.3 23 2 0 -2 17.531 35.062 0.196 19.3 2 29.4 17.6 24 3 2 -1 17.559 35.117 0.196 19.24 4 9.3 3.5 25 0 3 1 17.57 35.14 0.196 19.21 4 29.1 34.3 26 3 2 0 17.6 35.201 0.196 19.14 4 8.8 3.1 27 1 1 -2 17.847 35.694 0.199 18.56 4 5.8 1.3 28 2 3 0 17.906 35.811 0.2 18.43 4 11.0 4.7 29 0 0 2 18.038 36.076 0.201 18.13 2 167.8 537.8 30 2 2 1 18.19 36.379 0.203 17.8 4 86.3 279.5 31 2 1 -2 18.262 36.524 0.203 17.65 4 6.7 1.7 32 2 3 -1 18.648 37.295 0.208 16.86 4 42.7 64.7 33 0 1 2 18.752 37.504 0.209 16.65 4 0.4 0.0 34 1 3 1 19.01 38.019 0.211 16.16 4 24.4 20.3 35 4 1 -1 19.222 38.445 0.214 15.76 4 6.7 1.5 36 3 0 -2 19.249 38.498 0.214 15.71 2 3.5 0.2 37 4 0 0 19.322 38.644 0.215 15.58 2 8.8 1.3 38 3 1 -2 19.926 39.852 0.221 14.56 4 3.1 0.3 39 1 2 -2 19.94 39.881 0.221 14.53 4 4.3 0.6 40 4 1 0 19.997 39.994 0.222 14.44 4 1.4 0.1 41 3 1 1 20.038 40.076 0.222 14.37 4 74.5 168.2 42 1 0 2 20.178 40.356 0.224 14.15 2 60.9 55.4 43 0 4 0 20.214 40.428 0.224 14.1 2 20.6 6.3 44 2 2 -2 20.319 40.638 0.225 13.94 4 29.0 24.6 45 0 2 2 20.768 41.535 0.23 13.27 4 43.1 52.0 46 1 4 0 20.811 41.622 0.231 13.21 4 5.1 0.7 47 1 1 2 20.83 41.659 0.231 13.18 4 52.8 77.6 48 3 3 -1 20.991 41.982 0.233 12.96 4 119.8 392.1 49 3 3 0 21.027 42.053 0.233 12.91 4 35.7 34.7 50 4 2 -1 21.201 42.401 0.235 12.67 4 50.5 68.0 51 2 3 1 21.536 43.073 0.238 12.23 4 11.2 3.2 52 3 2 -2 21.851 43.703 0.242 11.84 4 31.1 24.1 53 4 2 0 21.917 43.835 0.242 11.76 4 39.3 38.2 54 3 2 1 21.955 43.911 0.243 11.72 4 7.1 1.3 55 4 0 -2 22.0 43.999 0.243 11.66 2 109.8 148.3 56 1 4 -1 22.143 44.286 0.245 11.49 4 17.1 7.1 57 0 4 1 22.249 44.497 0.246 11.37 4 72.6 126.5 58 2 4 0 22.525 45.05 0.249 11.06 4 50.4 59.2 59 4 1 -2 22.608 45.217 0.25 10.97 4 28.2 18.4 60 1 2 2 22.692 45.385 0.25 10.88 4 3.6 0.3 61 1 3 -2 23.075 46.151 0.254 10.47 4 13.8 4.2 62 2 4 -1 23.143 46.286 0.255 10.4 4 43.8 42.1 63 2 0 2 23.246 46.492 0.256 10.3 2 96.3 100.5 64 2 3 -2 23.413 46.825 0.258 10.13 4 16.0 5.5 65 1 4 1 23.447 46.895 0.258 10.1 4 15.1 4.9 66 5 1 -1 23.722 47.445 0.261 9.84 4 0.9 0.0 67 0 3 2 23.815 47.629 0.262 9.75 4 13.6 3.8 68 2 1 2 23.83 47.659 0.262 9.74 4 0.7 0.0 69 4 3 -1 24.204 48.408 0.266 9.4 4 32.8 21.3 70 4 2 -2 24.363 48.727 0.268 9.26 4 5.3 0.5 71 5 0 0 24.431 48.862 0.268 9.2 2 1.5 0.0 72 4 1 1 24.611 49.222 0.27 9.05 4 1.4 0.0 73 3 3 -2 24.793 49.585 0.272 8.9 4 14.8 4.1 74 4 3 0 24.852 49.705 0.273 8.85 4 1.8 0.1 75 3 3 1 24.887 49.774 0.273 8.82 4 39.5 29.0 76 5 1 0 24.994 49.988 0.274 8.73 4 52.4 50.5 77 3 4 -1 25.145 50.291 0.276 8.62 4 23.8 10.3 78 3 4 0 25.176 50.353 0.276 8.59 4 0.0 0.0 79 5 2 -1 25.418 50.837 0.279 8.41 4 27.5 13.4 80 2 2 2 25.52 51.041 0.28 8.33 4 78.8 109.0 81 5 0 -2 25.523 51.046 0.28 8.33 2 18.6 3.0 82 1 3 2 25.559 51.118 0.28 8.3 4 33.2 19.3 83 2 4 1 25.621 51.243 0.281 8.26 4 31.9 17.7 84 5 1 -2 26.068 52.137 0.285 7.94 4 16.7 4.7 85 1 5 0 26.088 52.177 0.285 7.92 4 82.0 112.2 86 4 2 1 26.264 52.529 0.287 7.8 4 40.0 26.3 87 5 2 0 26.63 53.261 0.291 7.56 4 12.9 2.6 88 2 1 -3 26.693 53.386 0.292 7.52 4 7.6 0.9 89 1 1 -3 26.967 53.935 0.294 7.35 4 36.5 20.6 90 1 4 -2 26.982 53.964 0.295 7.34 4 17.6 4.8 91 3 0 2 27.009 54.019 0.295 7.32 2 23.3 4.2 92 4 3 -2 27.097 54.194 0.296 7.27 4 14.9 3.4 93 1 5 -1 27.22 54.441 0.297 7.19 4 25.5 9.9 94 2 4 -2 27.283 54.566 0.298 7.15 4 53.8 43.7 95 0 5 1 27.311 54.622 0.298 7.14 4 28.1 11.9 96 3 1 -3 27.388 54.776 0.299 7.09 4 55.7 46.4 97 3 1 2 27.534 55.069 0.3 7.01 4 59.2 51.8 98 2 5 0 27.549 55.098 0.3 7.0 4 3.3 0.2 99 0 4 2 27.644 55.287 0.301 6.94 4 28.6 11.9 100 5 2 -2 27.66 55.319 0.301 6.94 4 25.1 9.2 101 4 4 -1 27.994 55.989 0.305 6.75 4 7.6 0.8 102 5 3 -1 28.079 56.157 0.306 6.7 4 140.3 277.9 103 2 5 -1 28.084 56.169 0.306 6.7 4 3.1 0.1 104 2 3 2 28.174 56.348 0.306 6.65 4 4.6 0.3 105 0 1 3 28.192 56.385 0.307 6.64 4 25.3 9.0 106 2 2 -3 28.26 56.519 0.307 6.61 4 118.1 194.2 107 1 5 1 28.35 56.7 0.308 6.56 4 21.8 6.5 108 1 2 -3 28.524 57.048 0.31 6.47 4 25.9 9.1 109 3 4 -2 28.527 57.054 0.31 6.47 4 14.3 2.8 110 4 4 0 28.581 57.162 0.311 6.44 4 25.7 9.0 111 6 1 -1 28.589 57.179 0.311 6.43 4 20.1 5.5 112 3 4 1 28.613 57.225 0.311 6.42 4 23.1 7.2 113 4 3 1 28.87 57.741 0.313 6.29 4 23.8 7.5 114 3 2 -3 28.929 57.859 0.314 6.26 4 14.8 2.9 115 4 1 -3 29.005 58.011 0.315 6.23 4 27.5 9.9 116 3 2 2 29.071 58.141 0.315 6.2 4 17.1 3.8 117 5 3 0 29.214 58.429 0.317 6.13 4 19.7 5.0 118 1 4 2 29.224 58.449 0.317 6.12 4 19.5 4.9 119 5 1 1 29.544 59.089 0.32 5.98 4 5.4 0.4 120 6 0 -2 29.645 59.291 0.321 5.93 2 104.5 68.2 121 0 2 3 29.707 59.413 0.322 5.9 4 11.8 1.7 122 6 0 0 29.757 59.514 0.322 5.88 2 103.0 65.8 123 3 5 -1 29.848 59.696 0.323 5.84 4 56.4 39.2 124 3 5 0 29.876 59.752 0.323 5.83 4 68.2 57.2 125 6 2 -1 30.091 60.182 0.325 5.73 4 26.9 8.8 126 6 1 -2 30.14 60.28 0.326 5.71 4 2.4 0.1 127 5 3 -2 30.185 60.371 0.326 5.69 4 22.2 5.9 128 6 1 0 30.25 60.501 0.327 5.67 4 0.9 0.0 129 2 5 1 30.273 60.547 0.327 5.66 4 3.9 0.2 130 1 1 3 30.292 60.584 0.327 5.65 4 2.9 0.1 131 4 2 -3 30.494 60.988 0.329 5.57 4 6.6 0.5 132 4 4 -2 30.639 61.277 0.331 5.51 4 1.5 0.0 133 2 3 -3 30.754 61.508 0.332 5.46 4 75.9 66.3 134 1 3 -3 31.005 62.01 0.334 5.37 4 111.9 141.6 135 5 2 1 31.017 62.034 0.334 5.36 4 3.3 0.1 136 0 6 0 31.217 62.435 0.336 5.29 2 159.7 142.1 137 4 0 2 31.332 62.664 0.338 5.24 2 96.5 51.4 138 3 3 -3 31.391 62.781 0.338 5.22 4 41.1 18.6 139 5 1 -3 31.456 62.911 0.339 5.2 4 19.5 4.2 140 1 5 -2 31.5 63.0 0.339 5.18 4 33.5 12.3 141 3 3 2 31.525 63.05 0.339 5.17 4 4.9 0.3 142 5 4 -1 31.55 63.099 0.34 5.16 4 4.3 0.2 143 6 2 -2 31.597 63.193 0.34 5.15 4 59.4 38.3 144 2 4 2 31.638 63.276 0.34 5.13 4 46.7 23.6 145 1 6 0 31.658 63.316 0.341 5.12 4 9.1 0.9 146 6 2 0 31.704 63.408 0.341 5.11 4 14.8 2.4 147 1 2 3 31.744 63.488 0.342 5.09 4 14.7 2.3 148 2 5 -2 31.774 63.548 0.342 5.08 4 5.0 0.3 149 4 1 2 31.811 63.623 0.342 5.07 4 24.5 6.4 150 0 5 2 32.103 64.205 0.345 4.97 4 48.6 24.7 151 0 3 3 32.132 64.264 0.345 4.96 4 19.0 3.8 152 4 4 1 32.289 64.578 0.347 4.91 4 13.3 1.8 153 4 5 -1 32.423 64.846 0.348 4.87 4 3.6 0.1 154 6 3 -1 32.499 64.999 0.349 4.84 4 3.8 0.1 155 5 4 0 32.611 65.223 0.35 4.81 4 19.6 3.9 156 1 6 -1 32.665 65.33 0.35 4.79 4 4.5 0.2 157 0 6 1 32.746 65.492 0.351 4.76 4 35.4 12.5 158 5 2 -3 32.879 65.757 0.352 4.72 4 36.1 13.0 159 4 3 -3 32.886 65.772 0.352 4.72 4 5.6 0.3 160 3 5 -2 32.912 65.824 0.353 4.71 4 72.6 52.3 161 2 6 0 32.96 65.92 0.353 4.7 4 11.8 1.4 162 4 5 0 32.962 65.924 0.353 4.7 4 7.2 0.5 163 3 5 1 32.991 65.982 0.353 4.69 4 48.7 23.4 164 2 1 3 33.17 66.339 0.355 4.63 4 6.0 0.4 165 4 2 2 33.226 66.453 0.356 4.62 4 0.3 0.0 166 5 3 1 33.388 66.776 0.357 4.57 4 178.2 305.7 167 2 6 -1 33.442 66.884 0.358 4.55 4 0.9 0.0 168 5 4 -2 33.525 67.05 0.359 4.53 4 23.3 5.2 169 1 5 2 33.555 67.111 0.359 4.52 4 43.0 17.6 170 1 6 1 33.682 67.364 0.36 4.49 4 17.5 2.9 171 7 1 -1 33.822 67.643 0.361 4.45 4 39.6 14.7 172 6 3 -2 33.946 67.891 0.362 4.41 4 8.5 0.7 173 6 3 0 34.049 68.098 0.363 4.39 4 3.7 0.1 174 2 4 -3 34.063 68.125 0.364 4.38 4 62.0 35.5 175 1 3 3 34.088 68.176 0.364 4.38 4 73.4 49.7 176 7 0 -2 34.287 68.575 0.366 4.32 2 77.0 27.0 177 1 4 -3 34.301 68.601 0.366 4.32 4 1.6 0.0 178 2 2 3 34.556 69.112 0.368 4.25 4 44.4 17.7 179 6 1 -3 34.646 69.292 0.369 4.23 4 16.3 2.4 180 3 4 -3 34.667 69.334 0.369 4.23 4 6.3 0.3 181 7 1 -2 34.745 69.49 0.37 4.21 4 90.2 72.2 182 3 4 2 34.795 69.59 0.37 4.19 4 10.9 1.1 183 6 1 1 34.851 69.701 0.371 4.18 4 3.1 0.1 184 4 5 -2 34.871 69.741 0.371 4.18 4 9.6 0.8 185 3 6 -1 35.049 70.097 0.373 4.13 4 9.6 0.8 186 3 6 0 35.074 70.148 0.373 4.13 4 8.8 0.7 187 5 3 -3 35.184 70.368 0.374 4.1 4 72.8 45.8 188 7 2 -1 35.195 70.391 0.374 4.1 4 3.2 0.1 189 0 4 3 35.373 70.746 0.376 4.06 4 48.8 20.4 190 7 0 0 35.383 70.766 0.376 4.06 2 16.0 1.1 191 2 6 1 35.44 70.88 0.376 4.04 4 8.8 0.7 192 4 3 2 35.52 71.041 0.377 4.02 4 8.3 0.6 193 6 4 -1 35.724 71.448 0.379 3.98 4 5.0 0.2 194 5 5 -1 35.725 71.45 0.379 3.98 4 15.6 2.1 195 2 5 2 35.808 71.617 0.38 3.96 4 2.2 0.0 196 7 1 0 35.835 71.669 0.38 3.95 4 47.2 18.6 197 6 2 -3 36.005 72.011 0.382 3.92 4 4.4 0.2 198 2 0 -4 36.022 72.044 0.382 3.91 2 15.7 1.0 199 4 4 -3 36.094 72.187 0.382 3.9 4 17.9 2.6 200 7 2 -2 36.103 72.206 0.382 3.9 4 8.6 0.6 201 3 0 -4 36.124 72.248 0.383 3.89 2 82.1 27.6 202 5 0 2 36.165 72.331 0.383 3.88 2 16.0 1.0 203 6 2 1 36.207 72.414 0.383 3.88 4 38.8 12.3 204 4 5 1 36.422 72.844 0.385 3.83 4 11.9 1.1 205 2 1 -4 36.47 72.941 0.386 3.82 4 41.2 13.6 206 3 1 -4 36.572 73.144 0.387 3.8 4 40.3 13.0 207 5 4 1 36.575 73.151 0.387 3.8 4 0.6 0.0 208 1 6 -2 36.576 73.152 0.387 3.8 4 1.2 0.0 209 5 1 2 36.613 73.226 0.387 3.79 4 54.2 23.5 210 5 5 0 36.727 73.454 0.388 3.77 4 22.8 4.1 211 1 0 -4 36.741 73.483 0.388 3.77 2 13.7 0.7 212 3 1 3 36.747 73.494 0.388 3.77 4 42.3 14.2 213 2 3 3 36.812 73.624 0.389 3.76 4 19.4 3.0 214 2 6 -2 36.831 73.663 0.389 3.75 4 43.1 14.7 215 4 0 -4 37.045 74.089 0.391 3.71 2 104.7 42.8 216 6 4 -2 37.111 74.222 0.392 3.7 4 8.7 0.6 217 0 6 2 37.138 74.277 0.392 3.69 4 117.4 107.4 218 7 2 0 37.176 74.352 0.392 3.69 4 0.3 0.0 219 1 1 -4 37.186 74.372 0.392 3.69 4 4.1 0.1 220 6 4 0 37.211 74.422 0.393 3.68 4 23.0 4.1 221 1 4 3 37.248 74.496 0.393 3.67 4 2.6 0.1 222 7 3 -1 37.436 74.871 0.395 3.64 4 32.3 8.0 223 4 6 -1 37.439 74.877 0.395 3.64 4 18.0 2.5 224 4 1 -4 37.488 74.977 0.395 3.63 4 27.0 5.6 225 5 5 -2 37.595 75.19 0.396 3.61 4 1.0 0.0 226 1 7 0 37.611 75.223 0.396 3.61 4 18.8 2.7 227 2 2 -4 37.803 75.606 0.398 3.58 4 37.7 10.7 228 3 6 -2 37.898 75.796 0.399 3.56 4 24.3 4.4 229 3 2 -4 37.903 75.806 0.399 3.56 4 6.2 0.3 230 5 2 2 37.944 75.888 0.399 3.55 4 5.1 0.2 231 4 6 0 37.945 75.89 0.399 3.55 4 37.0 10.3 232 3 6 1 37.972 75.944 0.399 3.55 4 10.7 0.9 233 3 2 3 38.076 76.152 0.4 3.53 4 2.5 0.0 234 2 5 -3 38.108 76.216 0.401 3.53 4 12.4 1.1 235 6 3 -3 38.227 76.454 0.402 3.51 4 19.9 2.9 236 0 0 4 38.264 76.529 0.402 3.5 2 72.7 19.5 237 5 4 -3 38.307 76.614 0.402 3.49 4 10.8 0.9 238 7 3 -2 38.323 76.645 0.403 3.49 4 12.0 1.1 239 1 5 -3 38.335 76.671 0.403 3.49 4 32.8 7.9 240 6 3 1 38.424 76.849 0.403 3.48 4 1.8 0.0 241 1 6 2 38.505 77.009 0.404 3.46 4 16.3 1.9 242 1 2 -4 38.51 77.02 0.404 3.46 4 8.3 0.5 243 7 1 -3 38.514 77.028 0.404 3.46 4 35.2 9.1 244 1 7 -1 38.546 77.092 0.404 3.46 4 8.1 0.5 245 0 7 1 38.622 77.243 0.405 3.45 4 10.2 0.8 246 4 4 2 38.633 77.266 0.405 3.44 4 11.5 1.0 247 3 5 -3 38.686 77.372 0.406 3.44 4 52.8 20.2 248 0 1 4 38.703 77.406 0.406 3.43 4 39.0 11.0 249 5 0 -4 38.763 77.525 0.406 3.42 2 16.3 1.0 250 4 2 -4 38.809 77.617 0.407 3.42 4 18.7 2.5 251 3 5 2 38.809 77.618 0.407 3.42 4 101.9 74.7 252 2 7 0 38.821 77.643 0.407 3.42 4 20.4 3.0 253 5 1 -4 39.2 78.4 0.41 3.36 4 7.7 0.4 254 2 7 -1 39.273 78.546 0.411 3.35 4 3.9 0.1 255 0 5 3 39.364 78.729 0.412 3.34 4 11.8 1.0 256 7 3 0 39.374 78.749 0.412 3.34 4 13.8 1.3 257 8 0 -2 39.45 78.9 0.412 3.33 2 40.8 5.8 258 8 1 -1 39.484 78.968 0.413 3.32 4 11.8 1.0 259 1 7 1 39.498 78.997 0.413 3.32 4 21.5 3.2 260 6 5 -1 39.703 79.405 0.415 3.29 4 19.1 2.5 261 4 6 -2 39.754 79.508 0.415 3.29 4 55.7 21.5 262 7 2 -3 39.824 79.647 0.416 3.28 4 21.3 3.1 263 8 1 -2 39.885 79.77 0.416 3.27 4 6.9 0.3 264 2 4 3 39.889 79.778 0.416 3.27 4 8.3 0.5 265 2 3 -4 39.99 79.981 0.417 3.26 4 7.5 0.4 266 0 2 4 40.011 80.022 0.417 3.25 4 4.0 0.1 267 4 5 -3 40.06 80.119 0.418 3.25 4 25.6 4.5 268 3 3 -4 40.089 80.178 0.418 3.24 4 6.2 0.3 269 5 3 2 40.129 80.258 0.418 3.24 4 5.9 0.2 270 3 3 3 40.259 80.519 0.419 3.22 4 22.6 3.5 271 7 4 -1 40.497 80.995 0.422 3.19 4 7.9 0.4 272 5 2 -4 40.504 81.007 0.422 3.19 4 45.9 14.2 273 5 5 1 40.526 81.051 0.422 3.19 4 13.8 1.3 274 1 0 4 40.564 81.128 0.422 3.19 2 2.7 0.0 275 5 6 -1 40.571 81.142 0.422 3.19 4 5.9 0.2 276 7 1 1 40.607 81.214 0.422 3.18 4 43.0 12.4 277 2 6 2 40.651 81.303 0.423 3.18 4 48.3 15.6 278 1 3 -4 40.687 81.373 0.423 3.17 4 8.5 0.5 279 8 2 -1 40.785 81.571 0.424 3.16 4 39.9 10.6 280 3 7 -1 40.79 81.581 0.424 3.16 4 37.6 9.4 281 3 7 0 40.815 81.629 0.424 3.16 4 0.9 0.0 282 4 3 -4 40.981 81.962 0.426 3.14 4 1.2 0.0 283 4 1 3 40.989 81.979 0.426 3.14 4 9.0 0.5 284 1 1 4 40.996 81.992 0.426 3.14 4 9.3 0.6 285 6 5 -2 41.046 82.091 0.426 3.13 4 28.5 5.4 286 6 5 0 41.143 82.285 0.427 3.12 4 6.7 0.3 287 2 7 1 41.163 82.325 0.427 3.12 4 5.8 0.2 288 1 5 3 41.179 82.358 0.427 3.12 4 0.1 0.0 289 8 2 -2 41.183 82.366 0.427 3.12 4 35.8 8.4 290 4 6 1 41.242 82.483 0.428 3.11 4 11.5 0.9 291 6 0 -4 41.251 82.501 0.428 3.11 2 68.7 15.5 292 6 4 -3 41.272 82.544 0.428 3.11 4 23.5 3.6 293 7 4 -2 41.366 82.732 0.429 3.1 4 3.1 0.1 294 8 0 0 41.434 82.869 0.43 3.09 2 71.6 16.7 295 6 4 1 41.466 82.931 0.43 3.09 4 2.5 0.0 296 5 6 0 41.536 83.072 0.43 3.08 4 8.5 0.5 297 6 0 2 41.541 83.081 0.43 3.08 2 31.4 3.2 298 6 1 -4 41.681 83.363 0.432 3.07 4 31.2 6.3 299 8 1 0 41.865 83.73 0.433 3.05 4 2.4 0.0 300 7 2 1 41.901 83.801 0.434 3.05 4 7.7 0.4 301 6 1 2 41.971 83.942 0.434 3.04 4 0.5 0.0 302 7 3 -3 41.984 83.968 0.434 3.04 4 6.6 0.3 303 0 3 4 42.169 84.339 0.436 3.02 4 12.9 1.1 304 5 5 -3 42.211 84.422 0.436 3.02 4 10.7 0.7 305 1 7 -2 42.251 84.501 0.436 3.02 4 19.6 2.4 306 4 2 3 42.281 84.562 0.437 3.01 4 16.2 1.7 307 1 2 4 42.288 84.575 0.437 3.01 4 35.6 8.1 308 5 6 -2 42.376 84.753 0.438 3.0 4 7.5 0.4 309 7 4 0 42.4 84.799 0.438 3.0 4 2.0 0.0 310 2 7 -2 42.496 84.993 0.439 2.99 4 17.5 1.9 311 4 5 2 42.53 85.06 0.439 2.99 4 3.1 0.1 312 5 3 -4 42.657 85.314 0.44 2.98 4 5.7 0.2 313 0 7 2 42.792 85.585 0.441 2.97 4 6.0 0.2 314 2 6 -3 42.875 85.75 0.442 2.96 4 12.7 1.0 315 8 3 -1 42.937 85.873 0.442 2.96 4 17.9 2.0 316 6 2 -4 42.97 85.939 0.442 2.96 4 19.8 2.4 317 2 4 -4 43.007 86.014 0.443 2.95 4 26.4 4.3 318 8 1 -3 43.051 86.102 0.443 2.95 4 7.1 0.3 319 4 7 -1 43.083 86.165 0.443 2.95 4 12.7 1.0 320 1 6 -3 43.097 86.194 0.443 2.95 4 1.8 0.0 321 3 4 -4 43.104 86.209 0.444 2.95 4 10.3 0.7 322 5 4 2 43.144 86.288 0.444 2.94 4 2.2 0.0 323 8 2 0 43.152 86.305 0.444 2.94 4 39.4 9.6 324 6 2 2 43.258 86.516 0.445 2.93 4 17.3 1.9 325 3 4 3 43.273 86.545 0.445 2.93 4 9.9 0.6 326 8 3 -2 43.331 86.662 0.445 2.93 4 5.7 0.2 327 3 6 -3 43.439 86.878 0.446 2.92 4 23.2 3.3 328 3 7 -2 43.528 87.055 0.447 2.92 4 2.3 0.0 329 3 6 2 43.559 87.118 0.447 2.91 4 31.1 5.9 330 4 7 0 43.573 87.146 0.447 2.91 4 3.4 0.1 331 3 7 1 43.6 87.199 0.448 2.91 4 34.4 7.3 332 2 0 4 43.62 87.241 0.448 2.91 2 38.6 4.6 333 1 4 -4 43.695 87.39 0.448 2.9 4 7.8 0.4 334 0 8 0 43.713 87.427 0.449 2.9 2 21.0 1.3 335 2 5 3 43.763 87.527 0.449 2.9 4 1.0 0.0 336 4 4 -4 43.987 87.973 0.451 2.89 4 2.4 0.0 337 7 3 1 44.044 88.088 0.451 2.88 4 3.6 0.1 338 2 1 4 44.048 88.096 0.451 2.88 4 5.1 0.2 339 0 6 3 44.103 88.207 0.452 2.88 4 13.1 1.0 340 1 8 0 44.106 88.211 0.452 2.88 4 12.6 1.0 341 1 7 2 44.118 88.236 0.452 2.88 4 24.2 3.5 342 8 2 -3 44.335 88.67 0.454 2.86 4 48.0 13.9 343 7 5 -1 44.364 88.727 0.454 2.86 4 29.2 5.1 344 4 3 3 44.423 88.845 0.454 2.86 4 4.7 0.1 345 1 3 4 44.429 88.858 0.454 2.86 4 5.1 0.2 346 6 6 -1 44.436 88.871 0.454 2.86 4 17.1 1.8 347 7 0 -4 44.495 88.99 0.455 2.86 2 56.3 9.5 348 4 6 -3 44.787 89.574 0.457 2.84 4 18.5 2.0 349 7 1 -4 44.922 89.845 0.458 2.83 4 41.9 10.5 350 7 4 -3 44.982 89.964 0.459 2.83 4 32.3 6.2 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 2 0 0 9.523 19.046 4.65594 56.2 5.2 5.3 5.6 2 1 1 -1 9.999 19.997 4.43651 118.1 11.0 11.1 5.6 3 0 1 1 10.212 20.424 4.34474 54.2 5.0 5.1 5.6 4 1 2 -1 13.25 26.499 3.36081 22.1 2.1 2.1 5.6 5 0 2 1 13.414 26.828 3.32039 222.5 20.7 20.7 5.6 6 2 2 0 13.839 27.679 3.22021 570.7 53.0 53.1 5.6 7 2 2 -1 14.762 29.525 3.02295 1076.5 100.0 100.0 5.6 8 3 1 -1 15.187 30.374 2.94037 479.3 44.5 44.5 5.6 9 3 1 0 15.234 30.468 2.93144 512.5 47.6 47.6 5.6 10 1 0 -2 17.1 34.201 2.61958 12.0 1.1 1.1 5.7 11 1 3 -1 17.441 34.883 2.5699 420.3 39.0 38.9 5.7 12 2 0 -2 17.531 35.062 2.55721 21.1 2.0 2.0 5.7 13 0 3 1 17.57 35.14 2.55169 34.3 3.2 3.2 5.7 14 0 0 2 18.038 36.076 2.48762 537.8 50.0 49.7 5.7 15 2 2 1 18.19 36.379 2.46755 279.5 26.0 25.8 5.7 16 2 3 -1 18.648 37.295 2.40904 64.7 6.0 6.0 5.7 17 1 3 1 19.01 38.019 2.3648 20.3 1.9 1.9 5.7 18 3 1 1 20.038 40.076 2.24806 168.2 15.6 15.5 5.7 19 1 0 2 20.178 40.356 2.2331 55.4 5.1 5.1 5.7 20 2 2 -2 20.319 40.638 2.21826 24.6 2.3 2.3 5.7 21 0 2 2 20.768 41.535 2.17237 52.0 4.8 4.8 5.7 22 1 1 2 20.83 41.659 2.16621 77.6 7.2 7.1 5.7 23 3 3 -1 20.991 41.982 2.15031 392.1 36.4 36.0 5.7 24 3 3 0 21.027 42.053 2.14681 34.7 3.2 3.2 5.7 25 4 2 -1 21.201 42.401 2.12999 68.0 6.3 6.2 5.7 26 3 2 -2 21.851 43.703 2.06953 24.1 2.2 2.2 5.7 27 4 2 0 21.917 43.835 2.06361 38.2 3.5 3.5 5.7 28 4 0 -2 22.0 43.999 2.05627 148.3 13.8 13.6 5.7 29 0 4 1 22.249 44.497 2.03441 126.5 11.7 11.6 5.7 30 2 4 0 22.525 45.05 2.0107 59.2 5.5 5.4 5.7 31 4 1 -2 22.608 45.217 2.00369 18.4 1.7 1.7 5.7 32 2 4 -1 23.143 46.286 1.95987 42.1 3.9 3.8 5.7 33 2 0 2 23.246 46.492 1.95168 100.5 9.3 9.2 5.7 34 4 3 -1 24.204 48.408 1.87879 21.3 2.0 1.9 5.7 35 3 3 1 24.887 49.774 1.83038 29.0 2.7 2.6 5.7 36 5 1 0 24.994 49.988 1.82304 50.5 4.7 4.6 5.7 37 5 2 -1 25.418 50.837 1.79458 13.4 1.2 1.2 5.8 38 2 2 2 25.52 51.041 1.78789 112.0 10.4 10.2 5.8 39 1 3 2 25.559 51.118 1.78538 19.3 1.8 1.8 5.8 40 2 4 1 25.621 51.243 1.78132 17.7 1.6 1.6 5.8 41 1 5 0 26.088 52.177 1.7516 116.9 10.9 10.6 5.8 42 4 2 1 26.264 52.529 1.7407 26.3 2.4 2.4 5.8 43 1 1 -3 26.967 53.935 1.69859 25.4 2.4 2.3 5.8 44 2 4 -2 27.283 54.566 1.68041 55.5 5.2 5.0 5.8 45 3 1 -3 27.388 54.776 1.67448 46.4 4.3 4.2 5.8 46 3 1 2 27.534 55.069 1.66626 52.0 4.8 4.7 5.8 47 0 4 2 27.644 55.287 1.66019 21.1 2.0 1.9 5.8 48 5 3 -1 28.079 56.157 1.63651 278.1 25.8 25.1 5.8 49 2 2 -3 28.26 56.519 1.62689 194.2 18.0 17.5 5.8 50 1 2 -3 28.524 57.048 1.61306 11.9 1.1 1.1 5.8 51 4 4 0 28.581 57.162 1.61011 14.4 1.3 1.3 5.8 52 6 0 -2 29.645 59.291 1.55728 68.2 6.3 6.1 5.8 53 6 0 0 29.757 59.514 1.55198 65.8 6.1 5.9 5.8 54 3 5 0 29.876 59.752 1.54636 96.3 8.9 8.7 5.8 55 2 3 -3 30.754 61.508 1.50636 66.3 6.2 5.9 5.8 56 1 3 -3 31.005 62.01 1.49536 141.7 13.2 12.7 5.8 57 0 6 0 31.217 62.435 1.4862 142.1 13.2 12.7 5.8 58 4 0 2 31.332 62.664 1.48131 51.4 4.8 4.6 5.8 59 3 3 -3 31.391 62.781 1.47884 18.6 1.7 1.7 5.9 60 1 5 -2 31.5 63.0 1.47422 12.5 1.2 1.1 5.9 61 6 2 -2 31.597 63.193 1.47018 38.3 3.6 3.4 5.9 62 2 4 2 31.638 63.276 1.46845 24.5 2.3 2.2 5.9 63 0 5 2 32.103 64.205 1.44943 24.7 2.3 2.2 5.9 64 0 6 1 32.746 65.492 1.42402 12.5 1.2 1.1 5.9 65 5 2 -3 32.879 65.757 1.41892 13.3 1.2 1.2 5.9 66 3 5 -2 32.912 65.824 1.41765 52.3 4.9 4.7 5.9 67 3 5 1 32.991 65.982 1.41464 23.4 2.2 2.1 5.9 68 5 3 1 33.388 66.776 1.39973 305.7 28.4 27.2 5.9 69 1 5 2 33.555 67.111 1.39356 17.6 1.6 1.6 5.9 70 7 1 -1 33.822 67.643 1.38388 14.7 1.4 1.3 5.9 71 1 3 3 34.088 68.176 1.37437 85.2 7.9 7.5 5.9 72 7 0 -2 34.287 68.575 1.36734 27.0 2.5 2.4 5.9 73 2 2 3 34.556 69.112 1.35802 17.7 1.6 1.6 5.9 74 7 1 -2 34.745 69.49 1.35154 72.2 6.7 6.4 5.9 75 5 3 -3 35.184 70.368 1.33682 45.9 4.3 4.1 5.9 76 0 4 3 35.373 70.746 1.33061 21.5 2.0 1.9 5.9 77 7 1 0 35.835 71.669 1.31571 18.6 1.7 1.6 5.9 78 3 0 -4 36.124 72.248 1.30659 27.6 2.6 2.4 5.9 79 6 2 1 36.207 72.414 1.30401 12.3 1.1 1.1 5.9 80 2 1 -4 36.47 72.941 1.29588 13.6 1.3 1.2 6.0 81 3 1 -4 36.572 73.144 1.29279 13.1 1.2 1.1 6.0 82 5 1 2 36.613 73.226 1.29153 23.5 2.2 2.1 6.0 83 3 1 3 36.747 73.494 1.28749 19.1 1.8 1.7 6.0 84 2 6 -2 36.831 73.663 1.28495 17.6 1.6 1.5 6.0 85 4 0 -4 37.045 74.089 1.27861 42.8 4.0 3.8 6.0 86 0 6 2 37.138 74.277 1.27585 107.4 10.0 9.4 6.0 87 4 6 0 37.945 75.89 1.25269 11.1 1.0 1.0 6.0 88 0 0 4 38.264 76.529 1.24381 19.5 1.8 1.7 6.0 89 7 1 -3 38.514 77.028 1.23699 11.5 1.1 1.0 6.0 90 3 5 -3 38.686 77.372 1.23234 31.2 2.9 2.7 6.0 91 2 7 0 38.821 77.643 1.22872 80.3 7.5 7.0 6.0 92 4 6 -2 39.754 79.508 1.20452 21.5 2.0 1.9 6.0 93 5 2 -4 40.504 81.007 1.18597 15.4 1.4 1.3 6.1 94 7 1 1 40.607 81.214 1.18347 12.4 1.1 1.1 6.1 95 2 6 2 40.651 81.303 1.1824 15.6 1.5 1.3 6.1 96 8 2 -1 40.785 81.571 1.17919 20.0 1.9 1.7 6.1 97 6 0 -4 41.251 82.501 1.16824 19.1 1.8 1.6 6.1 98 8 0 0 41.434 82.869 1.16399 16.7 1.6 1.4 6.1 99 3 7 1 43.6 87.199 1.11697 11.8 1.1 1.0 6.2 100 8 2 -3 44.335 88.67 1.10221 19.0 1.8 1.6 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) |