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 *** *********************** HINGGANITE-(Y) 6, t-datolite, s-gadolinite, DN [Y(1.3)Dy(0.4)Ca(0.3)]Be(2)Fe(0.24)[SiO(4)](2)(OH)(2) Monoclinic P 2(1)/a Z = 2 R =0.0329 NR =1299 20 .1 .11 Ref.Str.: Miyawaki R., Matsubara S., Yokoyama K., Okamoto A. (2007) * J. Mineral. Petrol. Sciences, 102, 1-7 R: N.A.D. Initial data from BDM-file Lattice parameters (cub. angs.,degr.): a = 9.883 alpha = 90.0 b = 7.6091 beta = 90.34 c = 4.7423 gamma = 90.0 Unit cell volume (cub. angs.) = 356.62 Molar volume ( cub.cm/mol.) = 107.4 Co-ordinates, thermal parameters, occupation for atomic positions: NoP x/a y/b z/c B(j) atom / occupation 1 0.3324 0.1092 0.0008 0.0 Y = 0.65, Dy = 0.2 , Ca = 0.15 2 0.3368 0.4148 0.4443 0.0 Be = 1.00 3 0.08 0.2753 0.5193 0.0 Si = 1.00 4 0.0 0.0 0.0 0.0 Fe = 0.24, Fe = 0.0 5 0.0324 0.4113 0.7605 0.0 O = 1.00 6 0.4517 0.2866 0.3281 0.0 O = 1.00 7 0.1973 0.3457 0.3053 0.0 O = 1.00 8 0.1473 0.1068 0.6864 0.0 O = 1.00 9 0.3318 0.4115 0.7845 0.0 O = 1.00 Co-ordinates for all atomic positions : No NoP x/a y/b z/c 1 1 0.3324 0.1092 0.0008 2 2 0.3368 0.4148 0.4443 3 3 0.08 0.2753 0.5193 4 4 0.0 0.0 0.0 5 5 0.0324 0.4113 0.7605 6 6 0.4517 0.2866 0.3281 7 7 0.1973 0.3457 0.3053 8 8 0.1473 0.1068 0.6864 9 9 0.3318 0.4115 0.7845 10 1 0.6676 0.8908 0.9992 11 2 0.6632 0.5852 0.5557 12 3 0.92 0.7247 0.4807 13 5 0.9676 0.5887 0.2395 14 6 0.5483 0.7134 0.6719 15 7 0.8027 0.6543 0.6947 16 8 0.8527 0.8932 0.3136 17 9 0.6682 0.5885 0.2155 18 1 0.8324 0.3908 0.0008 19 2 0.8368 0.0852 0.4443 20 3 0.58 0.2247 0.5193 21 4 0.5 0.5 0.0 22 5 0.5324 0.0887 0.7605 23 6 0.9517 0.2134 0.3281 24 7 0.6973 0.1543 0.3053 25 8 0.6473 0.3932 0.6864 26 9 0.8318 0.0885 0.7845 27 1 0.1676 0.6092 0.9992 28 2 0.1632 0.9148 0.5557 29 3 0.42 0.7753 0.4807 30 5 0.4676 0.9113 0.2395 31 6 0.0483 0.7866 0.6719 32 7 0.3027 0.8457 0.6947 33 8 0.3527 0.6068 0.3136 34 9 0.1682 0.9115 0.2155 X-ray density (g/cm cub.) = 4.1 MU (1/cm) = 453.827 Mass attenuation coefficient (cm**2/g) = 110.714 Selected interatomic distances (cation-anion,anion-anion): NoP Atom Rad.sph. C.N. Distance NoP N. (angs.) (angs.) 1 Y ,Dy ,Ca 2.88 8 2.3664 6 2.67 7 2.3531 8 2.5188 9 2.293 5 2.3056 5 2.4916 7 2.4395 9 2 Be 2.04 4 1.5976 6 1.6127 7 1.6146 9 1.5951 8 3 Si 2.1 4 1.6147 5 1.6352 7 1.6455 8 1.6245 6 4 Fe ,Fe 2.592 6 2.2399 8 2.2399 8 2.301 6 2.0593 9 2.301 6 2.0593 9 5 O 3.264 11 3.087 7 2.7581 7 2.605 8 2.9605 9 2.7221 5 2.8841 5 2.943 7 3.1898 6 2.6625 6 3.159 9 2.8909 6 6 O 3.264 10 2.5558 7 2.65 9 2.9861 9 3.1865 9 2.6625 5 3.1898 5 2.6306 7 2.6912 8 2.8909 5 2.6263 8 7 O 3.264 9 2.7581 5 3.087 5 2.5558 6 2.6126 8 2.6732 9 2.856 9 2.943 5 2.6306 6 2.5113 8 8 O 3.264 9 2.605 5 2.6126 7 2.9844 9 2.6912 6 3.1584 9 2.6263 6 2.5113 7 2.9224 9 2.6914 9 9 O 3.264 11 2.9605 5 2.9861 6 2.65 6 2.856 7 2.6732 7 2.9844 8 3.1865 6 3.159 5 3.1584 8 2.9224 8 2.6914 8 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 1 0 7.34 14.68 0.083 119.57 4 43.3 705.5 2 2 0 0 8.968 17.936 0.101 79.37 2 36.4 165.3 3 0 0 1 9.348 18.696 0.105 72.88 2 66.0 499.8 4 2 1 0 10.712 21.424 0.121 54.99 4 32.5 183.2 5 0 1 1 11.034 22.068 0.124 51.7 4 2.7 1.2 6 0 2 0 11.681 23.362 0.131 45.91 2 5.3 2.0 7 1 1 -1 11.905 23.81 0.134 44.12 4 53.4 395.0 8 1 1 1 11.948 23.896 0.134 43.79 4 36.5 183.1 9 1 2 0 12.53 25.06 0.141 39.63 4 68.1 577.3 10 2 0 -1 12.971 25.942 0.146 36.84 2 96.9 544.1 11 2 0 1 13.05 26.1 0.147 36.37 2 61.0 212.5 12 2 1 -1 14.254 28.509 0.16 30.16 4 105.8 1062.3 13 2 1 1 14.327 28.654 0.161 29.83 4 111.4 1165.4 14 3 1 0 14.762 29.523 0.165 27.99 4 60.1 318.3 15 2 2 0 14.804 29.609 0.166 27.82 4 35.5 110.3 16 0 2 1 15.044 30.089 0.168 26.88 4 85.4 617.0 17 1 2 -1 15.708 31.416 0.176 24.49 4 116.2 1039.6 18 1 2 1 15.741 31.483 0.176 24.38 4 120.8 1118.7 19 3 1 -1 17.543 35.085 0.196 19.27 4 116.8 827.0 20 2 2 -1 17.594 35.189 0.196 19.15 4 32.5 63.5 21 3 1 1 17.633 35.266 0.197 19.06 4 100.0 599.9 22 2 2 1 17.654 35.309 0.197 19.01 4 16.4 16.1 23 3 2 0 18.017 36.034 0.201 18.18 4 14.6 12.2 24 4 0 0 18.166 36.331 0.202 17.86 2 72.1 146.0 25 1 3 0 18.272 36.545 0.204 17.63 4 42.1 98.3 26 0 0 2 18.957 37.914 0.211 16.25 2 88.2 198.9 27 4 1 0 19.135 38.269 0.213 15.92 4 79.3 314.8 28 0 1 2 19.893 39.786 0.221 14.61 4 17.9 14.7 29 2 3 0 19.96 39.92 0.222 14.5 4 105.2 505.1 30 0 3 1 20.145 40.291 0.224 14.2 4 61.5 169.3 31 1 1 -2 20.405 40.809 0.226 13.81 4 7.7 2.6 32 3 2 -1 20.408 40.816 0.226 13.8 4 63.6 175.4 33 1 1 2 20.458 40.915 0.227 13.73 4 64.7 180.8 34 3 2 1 20.487 40.975 0.227 13.68 4 76.3 250.7 35 4 0 -1 20.529 41.058 0.228 13.62 2 87.9 165.4 36 4 0 1 20.634 41.268 0.229 13.47 2 33.2 23.3 37 1 3 -1 20.665 41.329 0.229 13.42 4 51.5 111.8 38 1 3 1 20.691 41.382 0.229 13.38 4 2.2 0.2 39 2 0 -2 21.069 42.137 0.233 12.85 2 3.5 0.3 40 2 0 2 21.172 42.343 0.234 12.71 2 69.2 95.8 41 4 1 -1 21.408 42.815 0.237 12.4 4 30.0 35.2 42 4 1 1 21.509 43.019 0.238 12.27 4 66.3 169.7 43 4 2 0 21.823 43.646 0.241 11.88 4 0.6 0.0 44 2 1 -2 21.93 43.859 0.242 11.75 4 40.6 60.8 45 2 1 2 22.029 44.059 0.243 11.63 4 42.4 65.8 46 2 3 -1 22.187 44.375 0.245 11.44 4 51.5 95.5 47 2 3 1 22.237 44.474 0.246 11.38 4 86.0 264.6 48 0 2 2 22.506 45.013 0.248 11.08 4 4.4 0.7 49 3 3 0 22.537 45.074 0.249 11.05 4 56.1 109.4 50 1 2 -2 22.97 45.941 0.253 10.58 4 109.9 401.7 51 1 2 2 23.018 46.037 0.254 10.53 4 107.0 378.9 52 5 1 0 23.743 47.487 0.261 9.82 4 41.7 53.7 53 0 4 0 23.886 47.773 0.263 9.68 2 112.2 191.7 54 4 2 -1 23.887 47.773 0.263 9.68 4 2.9 0.3 55 4 2 1 23.98 47.96 0.264 9.6 4 24.4 18.0 56 3 1 -2 24.316 48.631 0.267 9.3 4 119.9 420.6 57 1 4 0 24.353 48.706 0.268 9.27 4 49.3 71.0 58 2 2 -2 24.367 48.734 0.268 9.25 4 26.0 19.7 59 3 1 2 24.454 48.908 0.269 9.18 4 114.2 376.8 60 2 2 2 24.459 48.918 0.269 9.18 4 16.2 7.5 61 3 3 -1 24.565 49.131 0.27 9.09 4 40.4 46.6 62 3 3 1 24.634 49.268 0.271 9.03 4 37.5 40.0 63 5 1 -1 25.677 51.354 0.281 8.21 4 25.9 17.4 64 2 4 0 25.715 51.43 0.282 8.19 4 94.8 231.3 65 5 1 1 25.788 51.575 0.282 8.13 4 50.2 64.6 66 4 3 0 25.8 51.6 0.283 8.13 4 90.4 208.7 67 0 4 1 25.867 51.735 0.283 8.08 4 113.9 329.5 68 5 2 0 26.05 52.101 0.285 7.95 4 114.3 326.9 69 1 4 -1 26.297 52.594 0.288 7.78 4 27.0 17.9 70 1 4 1 26.319 52.638 0.288 7.77 4 13.6 4.5 71 0 3 2 26.405 52.809 0.289 7.71 4 0.6 0.0 72 3 2 -2 26.586 53.172 0.291 7.59 4 1.2 0.0 73 4 0 -2 26.674 53.348 0.291 7.53 2 47.4 26.6 74 3 2 2 26.716 53.431 0.292 7.51 4 22.4 11.8 75 1 3 -2 26.818 53.635 0.293 7.44 4 33.2 25.8 76 4 0 2 26.846 53.693 0.293 7.42 2 75.6 66.8 77 1 3 2 26.861 53.721 0.293 7.41 4 65.6 100.4 78 4 1 -2 27.399 54.798 0.299 7.09 4 114.3 291.2 79 4 1 2 27.568 55.137 0.3 6.99 4 84.7 157.7 80 2 4 -1 27.579 55.158 0.301 6.98 4 28.2 17.5 81 2 4 1 27.621 55.243 0.301 6.96 4 37.5 30.7 82 4 3 -1 27.639 55.279 0.301 6.95 4 104.6 238.8 83 4 3 1 27.724 55.447 0.302 6.9 4 107.8 252.2 84 5 2 -1 27.868 55.735 0.303 6.82 4 62.3 83.1 85 3 4 0 27.878 55.756 0.304 6.81 4 18.8 7.5 86 6 0 0 27.882 55.763 0.304 6.81 2 122.4 160.3 87 5 2 1 27.972 55.944 0.304 6.76 4 88.7 167.2 88 2 3 -2 28.073 56.146 0.305 6.71 4 124.8 328.7 89 2 3 2 28.156 56.313 0.306 6.66 4 111.2 258.9 90 6 1 0 28.586 57.172 0.311 6.44 4 0.0 0.0 91 0 0 3 29.163 58.325 0.316 6.15 2 107.1 111.1 92 4 2 -2 29.502 59.004 0.32 5.99 4 13.9 3.6 93 5 3 0 29.608 59.216 0.321 5.95 4 35.1 23.1 94 6 0 -1 29.613 59.226 0.321 5.94 2 130.4 159.0 95 3 4 -1 29.639 59.279 0.321 5.93 4 35.0 22.9 96 4 2 2 29.664 59.327 0.321 5.92 4 40.4 30.4 97 3 4 1 29.7 59.399 0.322 5.91 4 12.6 3.0 98 6 0 1 29.734 59.467 0.322 5.89 2 138.7 178.2 99 0 1 3 29.848 59.695 0.323 5.84 4 2.4 0.1 100 3 3 -2 30.101 60.202 0.326 5.73 4 32.5 19.1 101 1 1 -3 30.219 60.439 0.327 5.68 4 28.7 14.7 102 3 3 2 30.221 60.442 0.327 5.68 4 33.8 20.4 103 1 1 3 30.279 60.558 0.327 5.66 4 16.5 4.8 104 6 1 -1 30.292 60.583 0.327 5.65 4 9.2 1.5 105 6 1 1 30.411 60.821 0.329 5.6 4 11.1 2.2 106 6 2 0 30.637 61.274 0.331 5.51 4 73.5 93.5 107 2 0 -3 30.712 61.425 0.332 5.48 2 78.0 52.4 108 4 4 0 30.733 61.466 0.332 5.47 4 52.1 46.8 109 1 5 0 30.805 61.611 0.332 5.44 4 41.7 29.8 110 2 0 3 30.831 61.661 0.333 5.43 2 39.6 13.4 111 5 1 -2 31.057 62.114 0.335 5.35 4 34.2 19.6 112 5 1 2 31.253 62.505 0.337 5.27 4 6.8 0.8 113 0 4 2 31.274 62.548 0.337 5.26 4 32.5 17.5 114 5 3 -1 31.289 62.578 0.337 5.26 4 39.0 25.1 115 2 1 -3 31.377 62.754 0.338 5.23 4 66.7 73.0 116 5 3 1 31.386 62.773 0.338 5.22 4 38.3 24.1 117 2 1 3 31.494 62.987 0.339 5.18 4 69.3 78.3 118 1 4 -2 31.646 63.291 0.341 5.13 4 26.5 11.4 119 1 4 2 31.684 63.369 0.341 5.12 4 48.6 38.0 120 0 2 3 31.849 63.697 0.343 5.06 4 34.0 18.3 121 2 5 0 31.98 63.959 0.344 5.01 4 23.0 8.4 122 0 5 1 32.112 64.225 0.345 4.97 4 17.2 4.6 123 1 2 -3 32.207 64.414 0.346 4.94 4 93.3 135.0 124 1 2 3 32.264 64.529 0.347 4.92 4 97.6 147.4 125 6 2 -1 32.277 64.553 0.347 4.91 4 3.2 0.2 126 4 4 -1 32.389 64.779 0.348 4.88 4 60.7 56.6 127 6 2 1 32.391 64.783 0.348 4.88 4 10.3 1.6 128 4 4 1 32.466 64.932 0.348 4.85 4 49.0 36.7 129 1 5 -1 32.488 64.976 0.349 4.84 4 66.7 67.7 130 1 5 1 32.507 65.014 0.349 4.84 4 79.3 95.6 131 2 4 -2 32.784 65.568 0.351 4.75 4 59.2 52.4 132 4 3 -2 32.819 65.638 0.352 4.74 4 33.7 16.9 133 2 4 2 32.86 65.72 0.352 4.73 4 57.5 49.1 134 4 3 2 32.971 65.942 0.353 4.69 4 36.1 19.2 135 5 2 -2 33.016 66.032 0.354 4.68 4 74.8 82.3 136 5 2 2 33.205 66.41 0.355 4.62 4 64.3 60.1 137 3 1 -3 33.274 66.549 0.356 4.6 4 86.4 108.1 138 2 2 -3 33.326 66.651 0.357 4.59 4 12.5 2.3 139 2 2 3 33.439 66.877 0.358 4.56 4 0.6 0.0 140 3 1 3 33.444 66.888 0.358 4.55 4 97.0 134.7 141 2 5 -1 33.621 67.241 0.359 4.5 4 2.4 0.1 142 2 5 1 33.658 67.317 0.36 4.49 4 21.8 6.7 143 7 1 0 33.704 67.408 0.36 4.48 4 1.7 0.0 144 3 5 0 33.887 67.774 0.362 4.43 4 36.0 18.1 145 6 3 0 33.89 67.781 0.362 4.43 4 11.2 1.7 146 5 4 0 34.194 68.387 0.365 4.35 4 11.7 1.9 147 6 0 -2 34.598 69.196 0.369 4.24 2 45.9 14.1 148 3 4 -2 34.65 69.3 0.369 4.23 4 4.4 0.3 149 3 4 2 34.761 69.522 0.37 4.2 4 36.2 17.3 150 6 0 2 34.82 69.64 0.371 4.19 2 54.6 19.7 151 0 3 3 35.042 70.084 0.373 4.13 4 43.7 24.9 152 3 2 -3 35.169 70.337 0.374 4.1 4 46.0 27.4 153 6 1 -2 35.224 70.447 0.374 4.09 4 6.5 0.5 154 4 0 -3 35.234 70.468 0.374 4.09 2 6.0 0.2 155 7 1 -1 35.259 70.518 0.375 4.08 4 28.3 10.3 156 3 2 3 35.334 70.668 0.375 4.07 4 17.7 4.0 157 1 3 -3 35.384 70.768 0.376 4.05 4 0.3 0.0 158 7 1 1 35.387 70.775 0.376 4.05 4 49.5 31.3 159 1 3 3 35.439 70.878 0.376 4.04 4 19.0 4.6 160 6 1 2 35.444 70.888 0.376 4.04 4 8.9 1.0 161 6 3 -1 35.451 70.901 0.376 4.04 4 20.4 5.3 162 4 0 3 35.454 70.909 0.377 4.04 2 44.9 12.8 163 3 5 -1 35.475 70.949 0.377 4.03 4 99.7 126.0 164 3 5 1 35.53 71.059 0.377 4.02 4 85.4 92.3 165 6 3 1 35.561 71.121 0.378 4.02 4 24.8 7.8 166 7 2 0 35.587 71.175 0.378 4.01 4 47.8 28.8 167 5 4 -1 35.757 71.514 0.379 3.97 4 57.5 41.2 168 5 4 1 35.848 71.697 0.38 3.95 4 36.5 16.5 169 4 1 -3 35.855 71.71 0.38 3.95 4 4.7 0.3 170 4 1 3 36.073 72.147 0.382 3.9 4 3.8 0.2 171 5 3 -2 36.158 72.317 0.383 3.89 4 9.1 1.0 172 5 3 2 36.34 72.68 0.385 3.85 4 7.9 0.7 173 2 3 -3 36.456 72.911 0.386 3.83 4 32.2 12.5 174 4 5 0 36.475 72.949 0.386 3.82 4 14.4 2.5 175 2 3 3 36.564 73.129 0.387 3.8 4 14.2 2.4 176 0 5 2 36.973 73.946 0.39 3.72 4 2.4 0.1 177 6 2 -2 37.073 74.146 0.391 3.71 4 36.3 15.4 178 7 2 -1 37.107 74.215 0.392 3.7 4 90.1 94.5 179 4 4 -2 37.197 74.394 0.392 3.68 4 48.0 26.7 180 7 2 1 37.233 74.467 0.393 3.68 4 72.3 60.4 181 6 2 2 37.289 74.578 0.393 3.67 4 55.0 34.9 182 1 5 -2 37.317 74.633 0.394 3.66 4 8.5 0.8 183 4 4 2 37.341 74.681 0.394 3.66 4 19.5 4.4 184 1 5 2 37.353 74.705 0.394 3.66 4 36.5 15.3 185 0 6 0 37.401 74.802 0.394 3.65 2 92.1 48.6 186 4 2 -3 37.692 75.384 0.397 3.6 4 3.6 0.1 187 1 6 0 37.761 75.522 0.397 3.58 4 80.2 72.5 188 4 2 3 37.906 75.813 0.399 3.56 4 34.5 13.3 189 4 5 -1 38.008 76.016 0.4 3.54 4 41.2 18.9 190 4 5 1 38.079 76.158 0.4 3.53 4 48.4 26.0 191 6 4 0 38.214 76.427 0.402 3.51 4 127.7 180.1 192 3 3 -3 38.233 76.467 0.402 3.51 4 48.9 26.4 193 2 5 -2 38.376 76.753 0.403 3.48 4 52.8 30.6 194 3 3 3 38.394 76.787 0.403 3.48 4 44.4 21.6 195 2 5 2 38.448 76.895 0.404 3.47 4 43.0 20.2 196 8 0 0 38.574 77.149 0.405 3.45 2 85.5 39.7 197 7 3 0 38.639 77.279 0.405 3.44 4 2.9 0.1 198 2 6 0 38.834 77.669 0.407 3.41 4 12.5 1.7 199 0 6 1 38.957 77.913 0.408 3.4 4 24.5 6.4 200 5 1 -3 39.074 78.148 0.409 3.38 4 44.4 21.0 201 8 1 0 39.175 78.35 0.41 3.36 4 77.4 63.4 202 1 6 -1 39.303 78.607 0.411 3.35 4 67.6 48.2 203 0 4 3 39.314 78.629 0.411 3.35 4 101.2 107.7 204 1 6 1 39.321 78.642 0.411 3.34 4 31.7 10.6 205 5 1 3 39.339 78.678 0.411 3.34 4 42.5 19.0 206 1 4 -3 39.643 79.285 0.414 3.3 4 50.6 26.5 207 1 4 3 39.695 79.391 0.415 3.29 4 34.6 12.4 208 5 5 0 39.702 79.405 0.415 3.29 4 65.3 44.1 209 6 4 -1 39.707 79.413 0.415 3.29 4 60.3 37.6 210 6 4 1 39.812 79.624 0.416 3.28 4 31.9 10.5 211 7 1 -2 39.893 79.786 0.416 3.27 4 16.1 2.7 212 8 0 -1 40.046 80.092 0.418 3.25 2 40.6 8.4 213 6 3 -2 40.085 80.171 0.418 3.24 4 18.2 3.4 214 7 3 -1 40.119 80.238 0.418 3.24 4 52.4 27.9 215 3 5 -2 40.135 80.27 0.418 3.24 4 108.9 120.8 216 7 1 2 40.139 80.278 0.418 3.24 4 45.4 21.0 217 8 0 1 40.186 80.373 0.419 3.23 2 6.1 0.2 218 3 5 2 40.24 80.481 0.419 3.23 4 104.0 109.6 219 7 3 1 40.242 80.484 0.419 3.22 4 28.3 8.1 220 6 3 2 40.296 80.593 0.42 3.22 4 16.4 2.7 221 2 6 -1 40.356 80.712 0.42 3.21 4 53.2 28.6 222 5 4 -2 40.388 80.777 0.421 3.21 4 4.8 0.2 223 2 6 1 40.391 80.782 0.421 3.21 4 28.6 8.2 224 0 0 4 40.521 81.041 0.422 3.19 2 136.3 93.3 225 5 4 2 40.564 81.127 0.422 3.19 4 27.0 7.3 226 3 6 0 40.605 81.21 0.422 3.18 4 35.9 12.9 227 8 1 -1 40.641 81.282 0.423 3.18 4 7.5 0.6 228 2 4 -3 40.676 81.351 0.423 3.17 4 46.0 21.1 229 4 3 -3 40.69 81.381 0.423 3.17 4 87.6 76.6 230 2 4 3 40.781 81.561 0.424 3.16 4 49.8 24.7 231 8 1 1 40.781 81.562 0.424 3.16 4 33.0 10.8 232 5 2 -3 40.863 81.726 0.425 3.15 4 91.0 82.2 233 4 3 3 40.9 81.801 0.425 3.15 4 73.0 52.8 234 8 2 0 40.963 81.927 0.426 3.14 4 22.3 4.9 235 0 1 4 41.114 82.228 0.427 3.13 4 30.0 8.8 236 5 2 3 41.125 82.251 0.427 3.12 4 85.5 71.8 237 5 5 -1 41.19 82.379 0.427 3.12 4 14.9 2.2 238 5 5 1 41.277 82.554 0.428 3.11 4 53.5 28.0 239 1 1 -4 41.43 82.86 0.43 3.09 4 54.1 28.4 240 1 1 4 41.5 83.0 0.43 3.09 4 21.8 4.6 241 7 2 -2 41.674 83.348 0.432 3.07 4 97.0 90.8 242 2 0 -4 41.856 83.711 0.433 3.05 2 25.2 3.1 243 7 2 2 41.918 83.836 0.434 3.05 4 102.2 100.0 244 2 0 4 41.995 83.99 0.434 3.04 2 22.8 2.5 245 3 6 -1 42.103 84.206 0.435 3.03 4 40.0 15.2 246 3 6 1 42.155 84.311 0.436 3.02 4 21.1 4.2 247 6 0 -3 42.328 84.655 0.437 3.01 2 118.8 66.7 248 3 4 -3 42.403 84.805 0.438 3.0 4 5.8 0.3 249 8 2 -1 42.416 84.831 0.438 3.0 4 24.3 5.6 250 2 1 -4 42.446 84.891 0.438 3.0 4 33.9 10.9 251 8 2 1 42.555 85.109 0.439 2.99 4 26.3 6.5 252 3 4 3 42.559 85.118 0.439 2.99 4 26.4 6.5 253 4 5 -2 42.575 85.149 0.439 2.99 4 16.1 2.4 254 2 1 4 42.585 85.169 0.439 2.99 4 14.1 1.9 255 6 0 3 42.641 85.281 0.44 2.98 2 113.7 60.6 256 4 5 2 42.714 85.427 0.44 2.98 4 13.5 1.7 257 7 4 0 42.8 85.599 0.441 2.97 4 16.2 2.5 258 0 2 4 42.886 85.771 0.442 2.96 4 10.0 0.9 259 6 1 -3 42.917 85.834 0.442 2.96 4 33.7 10.5 260 4 6 0 43.057 86.114 0.443 2.95 4 44.0 18.0 261 1 2 -4 43.2 86.399 0.444 2.94 4 70.4 45.8 262 6 1 3 43.229 86.459 0.445 2.94 4 6.4 0.4 263 1 2 4 43.269 86.538 0.445 2.93 4 47.8 21.1 264 0 6 2 43.536 87.072 0.447 2.91 4 43.5 17.4 265 6 5 0 43.561 87.121 0.447 2.91 4 5.6 0.3 266 5 3 -3 43.813 87.626 0.449 2.9 4 44.7 18.2 267 1 6 -2 43.867 87.734 0.45 2.89 4 53.2 25.7 268 1 6 2 43.902 87.803 0.45 2.89 4 87.3 69.3 269 8 3 0 43.912 87.825 0.45 2.89 4 34.2 10.6 270 5 3 3 44.073 88.146 0.452 2.88 4 45.9 19.1 271 3 1 -4 44.155 88.309 0.452 2.87 4 52.7 25.1 272 2 2 -4 44.21 88.421 0.453 2.87 4 20.0 3.6 273 6 4 -2 44.22 88.439 0.453 2.87 4 63.4 36.3 274 7 4 -1 44.253 88.505 0.453 2.87 4 35.7 11.5 275 2 2 4 44.349 88.698 0.454 2.86 4 1.0 0.0 276 3 1 4 44.362 88.725 0.454 2.86 4 61.4 33.9 277 7 4 1 44.374 88.748 0.454 2.86 4 26.0 6.1 278 6 4 2 44.427 88.855 0.454 2.86 4 95.2 81.5 279 4 6 -1 44.536 89.071 0.455 2.85 4 22.3 4.5 280 8 0 -2 44.536 89.072 0.455 2.85 2 28.3 3.6 281 4 6 1 44.605 89.21 0.456 2.85 4 9.9 0.9 282 7 3 -2 44.617 89.234 0.456 2.85 4 7.3 0.5 283 0 5 3 44.636 89.272 0.456 2.85 4 5.6 0.3 284 6 2 -3 44.68 89.36 0.456 2.84 4 1.6 0.0 285 8 0 2 44.813 89.627 0.457 2.84 2 59.5 15.8 286 4 4 -3 44.817 89.633 0.458 2.84 4 36.5 11.9 287 7 3 2 44.86 89.719 0.458 2.84 4 31.1 8.6 288 2 6 -2 44.894 89.788 0.458 2.83 4 14.5 1.9 289 1 5 -3 44.958 89.916 0.459 2.83 4 79.3 56.0 290 2 6 2 44.963 89.927 0.459 2.83 4 51.4 23.5 291 6 2 3 44.992 89.984 0.459 2.83 4 10.0 0.9 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 1 1 0 7.34 14.68 6.02911 705.5 60.5 61.1 5.6 2 2 0 0 8.968 17.936 4.94141 165.3 14.2 14.3 5.6 3 0 0 1 9.348 18.696 4.74222 499.8 42.9 43.2 5.6 4 2 1 0 10.712 21.424 4.14422 183.2 15.7 15.8 5.6 5 1 1 -1 11.905 23.81 3.73399 395.0 33.9 34.0 5.6 6 1 1 1 11.948 23.896 3.72079 183.1 15.7 15.8 5.6 7 1 2 0 12.53 25.06 3.55054 577.3 49.5 49.7 5.6 8 2 0 -1 12.971 25.942 3.43176 544.1 46.7 46.8 5.6 9 2 0 1 13.05 26.1 3.41135 212.5 18.2 18.3 5.6 10 2 1 -1 14.254 28.509 3.12831 1062.3 91.2 91.2 5.6 11 2 1 1 14.327 28.654 3.11283 1165.4 100.0 100.0 5.6 12 3 1 0 14.762 29.523 3.02312 318.3 27.3 27.3 5.6 13 2 2 0 14.804 29.609 3.01456 110.3 9.5 9.5 5.6 14 0 2 1 15.044 30.089 2.96756 617.0 52.9 52.9 5.6 15 1 2 -1 15.708 31.416 2.84512 1039.6 89.2 89.0 5.6 16 1 2 1 15.741 31.483 2.83927 1118.7 96.0 95.8 5.6 17 3 1 -1 17.543 35.085 2.55554 827.0 71.0 70.6 5.7 18 2 2 -1 17.594 35.189 2.54825 63.5 5.5 5.4 5.7 19 3 1 1 17.633 35.266 2.54288 616.0 52.9 52.6 5.7 20 3 2 0 18.017 36.034 2.49042 12.2 1.1 1.0 5.7 21 4 0 0 18.166 36.331 2.47071 146.0 12.5 12.4 5.7 22 1 3 0 18.272 36.545 2.45675 98.3 8.4 8.4 5.7 23 0 0 2 18.957 37.914 2.37111 198.9 17.1 16.9 5.7 24 4 1 0 19.135 38.269 2.34993 314.8 27.0 26.8 5.7 25 0 1 2 19.893 39.786 2.26374 14.7 1.3 1.2 5.7 26 2 3 0 19.96 39.92 2.25647 505.1 43.3 42.9 5.7 27 0 3 1 20.145 40.291 2.23656 169.3 14.5 14.4 5.7 28 3 2 -1 20.408 40.816 2.20897 178.0 15.3 15.1 5.7 29 1 1 2 20.458 40.915 2.20387 180.8 15.5 15.3 5.7 30 3 2 1 20.487 40.975 2.20078 250.7 21.5 21.3 5.7 31 4 0 -1 20.529 41.058 2.19653 165.4 14.2 14.0 5.7 32 4 0 1 20.634 41.268 2.18581 23.3 2.0 2.0 5.7 33 1 3 -1 20.665 41.329 2.18272 112.0 9.6 9.5 5.7 34 2 0 2 21.172 42.343 2.13278 95.8 8.2 8.1 5.7 35 4 1 -1 21.408 42.815 2.11036 35.2 3.0 3.0 5.7 36 4 1 1 21.509 43.019 2.10085 169.7 14.6 14.4 5.7 37 2 1 -2 21.93 43.859 2.06251 60.8 5.2 5.1 5.7 38 2 1 2 22.029 44.059 2.05363 65.8 5.6 5.6 5.7 39 2 3 -1 22.187 44.375 2.03973 95.5 8.2 8.1 5.7 40 2 3 1 22.237 44.474 2.03542 264.6 22.7 22.4 5.7 41 3 3 0 22.537 45.074 2.0097 109.4 9.4 9.2 5.7 42 1 2 -2 22.97 45.941 1.97379 401.7 34.5 33.9 5.7 43 1 2 2 23.018 46.037 1.96988 378.9 32.5 32.0 5.7 44 5 1 0 23.743 47.487 1.91307 53.7 4.6 4.5 5.7 45 0 4 0 23.886 47.773 1.90228 192.0 16.5 16.2 5.7 46 4 2 1 23.98 47.96 1.89528 18.0 1.5 1.5 5.7 47 3 1 -2 24.316 48.631 1.87069 420.6 36.1 35.4 5.7 48 1 4 0 24.353 48.706 1.86799 90.7 7.8 7.6 5.7 49 3 1 2 24.454 48.908 1.86076 384.4 33.0 32.3 5.7 50 3 3 -1 24.565 49.131 1.85282 46.6 4.0 3.9 5.7 51 3 3 1 24.634 49.268 1.84798 40.0 3.4 3.4 5.7 52 5 1 -1 25.677 51.354 1.77772 17.4 1.5 1.5 5.8 53 2 4 0 25.715 51.43 1.77527 231.3 19.8 19.4 5.8 54 4 3 0 25.8 51.6 1.76981 273.3 23.5 22.9 5.8 55 0 4 1 25.867 51.735 1.76553 329.5 28.3 27.6 5.8 56 5 2 0 26.05 52.101 1.75398 326.9 28.1 27.4 5.8 57 1 4 -1 26.297 52.594 1.73868 22.4 1.9 1.9 5.8 58 4 0 -2 26.674 53.348 1.71588 26.6 2.3 2.2 5.8 59 3 2 2 26.716 53.431 1.7134 11.8 1.0 1.0 5.8 60 1 3 2 26.861 53.721 1.70484 193.1 16.6 16.1 5.8 61 4 1 -2 27.399 54.798 1.67385 291.2 25.0 24.3 5.8 62 4 1 2 27.568 55.137 1.66437 175.2 15.0 14.6 5.8 63 4 3 -1 27.639 55.279 1.66043 269.6 23.1 22.5 5.8 64 4 3 1 27.724 55.447 1.65579 252.2 21.6 21.0 5.8 65 6 0 0 27.882 55.763 1.64714 251.0 21.5 20.9 5.8 66 5 2 1 27.972 55.944 1.64224 167.2 14.3 13.9 5.8 67 2 3 -2 28.073 56.146 1.63682 328.7 28.2 27.4 5.8 68 2 3 2 28.156 56.313 1.63237 258.9 22.2 21.6 5.8 69 0 0 3 29.163 58.325 1.58074 111.1 9.5 9.2 5.8 70 6 0 -1 29.613 59.226 1.55884 182.0 15.6 15.1 5.8 71 4 2 2 29.664 59.327 1.55642 53.3 4.6 4.4 5.8 72 6 0 1 29.734 59.467 1.55308 178.2 15.3 14.8 5.8 73 3 3 -2 30.101 60.202 1.53586 19.1 1.6 1.6 5.8 74 3 3 2 30.221 60.442 1.53036 35.1 3.0 2.9 5.8 75 6 2 0 30.637 61.274 1.51156 93.5 8.0 7.7 5.8 76 2 0 -3 30.712 61.425 1.50819 99.2 8.5 8.2 5.8 77 1 5 0 30.805 61.611 1.50409 43.2 3.7 3.6 5.8 78 5 1 -2 31.057 62.114 1.49311 19.6 1.7 1.6 5.8 79 5 3 -1 31.289 62.578 1.48315 42.6 3.7 3.5 5.8 80 2 1 -3 31.377 62.754 1.47941 97.1 8.3 8.0 5.9 81 2 1 3 31.494 62.987 1.47449 78.3 6.7 6.5 5.9 82 1 4 2 31.684 63.369 1.46653 38.0 3.3 3.1 5.9 83 0 2 3 31.849 63.697 1.45975 18.3 1.6 1.5 5.9 84 1 2 -3 32.207 64.414 1.44524 135.0 11.6 11.1 5.9 85 1 2 3 32.264 64.529 1.44294 147.6 12.7 12.1 5.9 86 4 4 -1 32.389 64.779 1.43798 58.2 5.0 4.8 5.9 87 1 5 -1 32.488 64.976 1.43408 200.0 17.2 16.5 5.9 88 2 4 -2 32.784 65.568 1.42256 52.4 4.5 4.3 5.9 89 4 3 -2 32.819 65.638 1.42121 16.9 1.5 1.4 5.9 90 2 4 2 32.86 65.72 1.41964 49.1 4.2 4.0 5.9 91 4 3 2 32.971 65.942 1.41539 19.2 1.6 1.6 5.9 92 5 2 -2 33.016 66.032 1.41369 82.3 7.1 6.8 5.9 93 5 2 2 33.205 66.41 1.40655 60.1 5.2 4.9 5.9 94 3 1 -3 33.274 66.549 1.40396 108.1 9.3 8.9 5.9 95 3 1 3 33.444 66.888 1.39766 134.7 11.6 11.0 5.9 96 3 5 0 33.887 67.774 1.38153 19.8 1.7 1.6 5.9 97 6 0 -2 34.598 69.196 1.35657 14.1 1.2 1.1 5.9 98 3 4 2 34.761 69.522 1.35099 17.3 1.5 1.4 5.9 99 6 0 2 34.82 69.64 1.349 19.7 1.7 1.6 5.9 100 0 3 3 35.042 70.084 1.34153 24.9 2.1 2.0 5.9 101 3 2 -3 35.169 70.337 1.33733 27.4 2.3 2.2 5.9 102 7 1 1 35.387 70.775 1.33013 31.3 2.7 2.5 5.9 103 3 5 -1 35.475 70.949 1.32728 149.8 12.9 12.2 5.9 104 3 5 1 35.53 71.059 1.3255 92.3 7.9 7.5 5.9 105 7 2 0 35.587 71.175 1.32363 36.6 3.1 3.0 5.9 106 5 4 -1 35.757 71.514 1.31818 41.2 3.5 3.4 5.9 107 5 4 1 35.848 71.697 1.31528 16.8 1.4 1.4 5.9 108 2 3 -3 36.456 72.911 1.29633 15.0 1.3 1.2 6.0 109 6 2 -2 37.073 74.146 1.27777 15.4 1.3 1.2 6.0 110 7 2 -1 37.107 74.215 1.27675 94.5 8.1 7.6 6.0 111 4 4 -2 37.197 74.394 1.27413 26.7 2.3 2.2 6.0 112 7 2 1 37.233 74.467 1.27306 60.4 5.2 4.9 6.0 113 6 2 2 37.289 74.578 1.27144 35.8 3.1 2.9 6.0 114 1 5 2 37.353 74.705 1.26959 19.7 1.7 1.6 6.0 115 0 6 0 37.401 74.802 1.26818 48.6 4.2 3.9 6.0 116 1 6 0 37.761 75.522 1.25787 72.5 6.2 5.9 6.0 117 4 2 3 37.906 75.813 1.25376 13.3 1.1 1.1 6.0 118 4 5 -1 38.008 76.016 1.25092 18.9 1.6 1.5 6.0 119 4 5 1 38.079 76.158 1.24893 26.0 2.2 2.1 6.0 120 6 4 0 38.214 76.427 1.24521 206.4 17.7 16.6 6.0 121 2 5 -2 38.376 76.753 1.24074 52.2 4.5 4.2 6.0 122 2 5 2 38.448 76.895 1.23879 20.2 1.7 1.6 6.0 123 8 0 0 38.574 77.149 1.23535 39.7 3.4 3.2 6.0 124 5 1 -3 39.074 78.148 1.22204 21.0 1.8 1.7 6.0 125 8 1 0 39.175 78.35 1.21939 63.4 5.4 5.1 6.0 126 0 4 3 39.314 78.629 1.21577 185.4 15.9 14.9 6.0 127 1 4 -3 39.643 79.285 1.20734 26.5 2.3 2.1 6.0 128 6 4 -1 39.707 79.413 1.20572 94.1 8.1 7.5 6.0 129 3 5 -2 40.135 80.27 1.19499 169.7 14.6 13.5 6.0 130 3 5 2 40.24 80.481 1.19239 117.8 10.1 9.4 6.0 131 2 6 -1 40.356 80.712 1.18956 28.6 2.5 2.3 6.1 132 0 0 4 40.521 81.041 1.18555 93.3 8.0 7.4 6.1 133 3 6 0 40.605 81.21 1.18351 12.9 1.1 1.0 6.1 134 4 3 -3 40.69 81.381 1.18146 97.7 8.4 7.8 6.1 135 2 4 3 40.781 81.561 1.1793 35.5 3.0 2.8 6.1 136 5 2 -3 40.863 81.726 1.17734 82.2 7.1 6.5 6.1 137 4 3 3 40.9 81.801 1.17645 52.8 4.5 4.2 6.1 138 5 2 3 41.125 82.251 1.17116 80.7 6.9 6.4 6.1 139 5 5 1 41.277 82.554 1.16762 28.0 2.4 2.2 6.1 140 1 1 -4 41.43 82.86 1.16408 28.4 2.4 2.3 6.1 141 7 2 -2 41.674 83.348 1.15851 90.8 7.8 7.2 6.1 142 7 2 2 41.918 83.836 1.153 100.0 8.6 7.9 6.1 143 3 6 -1 42.103 84.206 1.14887 15.2 1.3 1.2 6.1 144 6 0 -3 42.328 84.655 1.14392 66.7 5.7 5.3 6.1 145 2 1 -4 42.446 84.891 1.14134 16.4 1.4 1.3 6.1 146 3 4 3 42.559 85.118 1.13888 17.4 1.5 1.4 6.1 147 6 0 3 42.641 85.281 1.13712 60.6 5.2 4.8 6.1 148 4 6 0 43.057 86.114 1.12824 18.0 1.5 1.4 6.1 149 1 2 -4 43.2 86.399 1.12525 46.2 4.0 3.6 6.1 150 1 2 4 43.269 86.538 1.1238 21.1 1.8 1.7 6.1 151 0 6 2 43.536 87.072 1.11828 17.7 1.5 1.4 6.1 152 5 3 -3 43.813 87.626 1.11263 18.2 1.6 1.4 6.2 153 1 6 -2 43.867 87.734 1.11154 25.7 2.2 2.0 6.2 154 1 6 2 43.902 87.803 1.11084 79.9 6.9 6.3 6.2 155 5 3 3 44.073 88.146 1.1074 19.1 1.6 1.5 6.2 156 3 1 -4 44.155 88.309 1.10578 25.1 2.2 2.0 6.2 157 6 4 -2 44.22 88.439 1.10449 40.0 3.4 3.1 6.2 158 3 1 4 44.362 88.725 1.10167 40.0 3.4 3.1 6.2 159 6 4 2 44.427 88.855 1.10039 81.5 7.0 6.4 6.2 160 8 0 2 44.813 89.627 1.09291 27.7 2.4 2.2 6.2 161 1 5 -3 44.958 89.916 1.09014 79.5 6.8 6.2 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) |