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 *** *********************** PELLYITE 1 Ba(2)Ca(Fe,Mg)(2)Si(6)O(17) Orthorhombic C mcm Z = 4 R =0.032 NR =648 13 .3 .1991 Ref.Str.: Meagher E.P. (1976) * Amer. Mineral., 61, 67-73 Reserv: See U(ij) in the original Initial data from BDM-file Lattice parameters (cub. angs.,degr.): a = 15.677 alpha = 90.0 b = 7.15 beta = 90.0 c = 14.209 gamma = 90.0 Unit cell volume (cub. angs.) = 1592.69 Molar volume ( cub.cm/mol.) = 239.83 Co-ordinates, thermal parameters, occupation for atomic positions: NoP x/a y/b z/c B(j) atom / occupation 1 0.1374 0.3326 0.25 0.95 Ba = 1.00 2 0.5 0.0 0.0 0.76 Ca = 1.00 3 0.2922 0.0 0.0 0.59 Fe = 0.74, Mg = 0.11, Mn = 0.15 4 0.3477 0.2982 0.1413 0.6 Si = 0.95, Al = 0.05 5 0.0 0.0612 0.108 0.53 Si = 1.00 6 0.0 0.0 0.0 2.58 O = 1.00 7 0.3853 0.1303 0.0798 1.24 O = 1.00 8 0.0867 0.9736 0.1521 1.95 O = 1.00 9 0.2559 0.369 0.1079 1.74 O = 1.00 10 0.333 0.2189 0.25 1.38 O = 1.00 11 0.0 0.2804 0.1286 1.02 O = 1.00 Co-ordinates for all atomic positions : No NoP x/a y/b z/c 1 1 0.1374 0.3326 0.25 2 2 0.5 0.0 0.0 3 3 0.2922 0.0 0.0 4 4 0.3477 0.2982 0.1413 5 5 0.0 0.0612 0.108 6 6 0.0 0.0 0.0 7 7 0.3853 0.1303 0.0798 8 8 0.0867 0.9736 0.1521 9 9 0.2559 0.369 0.1079 10 10 0.333 0.2189 0.25 11 11 0.0 0.2804 0.1286 12 1 0.8626 0.6674 0.75 13 2 0.5 0.0 0.5 14 3 0.7078 0.0 0.5 15 4 0.6523 0.7018 0.6413 16 5 0.0 0.9388 0.608 17 6 0.0 0.0 0.5 18 7 0.6147 0.8697 0.5798 19 8 0.9133 0.0264 0.6521 20 9 0.7441 0.631 0.6079 21 10 0.667 0.7811 0.75 22 11 0.0 0.7196 0.6286 23 1 0.8626 0.3326 0.25 24 3 0.7078 0.0 0.0 25 4 0.6523 0.2982 0.1413 26 7 0.6147 0.1303 0.0798 27 8 0.9133 0.9736 0.1521 28 9 0.7441 0.369 0.1079 29 10 0.667 0.2189 0.25 30 1 0.1374 0.6674 0.75 31 3 0.2922 0.0 0.5 32 4 0.3477 0.7018 0.6413 33 7 0.3853 0.8697 0.5798 34 8 0.0867 0.0264 0.6521 35 9 0.2559 0.631 0.6079 36 10 0.333 0.7811 0.75 37 4 0.3477 0.2982 0.3587 38 5 0.0 0.0612 0.392 39 7 0.3853 0.1303 0.4202 40 8 0.0867 0.9736 0.3479 41 9 0.2559 0.369 0.3921 42 11 0.0 0.2804 0.3714 43 4 0.6523 0.7018 0.8587 44 5 0.0 0.9388 0.892 45 7 0.6147 0.8697 0.9202 46 8 0.9133 0.0264 0.8479 47 9 0.7441 0.631 0.8921 48 11 0.0 0.7196 0.8714 49 4 0.6523 0.2982 0.3587 50 7 0.6147 0.1303 0.4202 51 8 0.9133 0.9736 0.3479 52 9 0.7441 0.369 0.3921 53 4 0.3477 0.7018 0.8587 54 7 0.3853 0.8697 0.9202 55 8 0.0867 0.0264 0.8479 56 9 0.2559 0.631 0.8921 57 1 0.3626 0.1674 0.75 58 2 0.0 0.5 0.5 59 3 0.2078 0.5 0.5 60 4 0.1523 0.2018 0.6413 61 5 0.5 0.4388 0.608 62 6 0.5 0.5 0.5 63 7 0.1147 0.3697 0.5798 64 8 0.4133 0.5264 0.6521 65 9 0.2441 0.131 0.6079 66 10 0.167 0.2811 0.75 67 11 0.5 0.2196 0.6286 68 1 0.6374 0.8326 0.25 69 2 0.0 0.5 0.0 70 3 0.7922 0.5 0.0 71 4 0.8477 0.7982 0.1413 72 5 0.5 0.5612 0.108 73 6 0.5 0.5 0.0 74 7 0.8853 0.6303 0.0798 75 8 0.5867 0.4736 0.1521 76 9 0.7559 0.869 0.1079 77 10 0.833 0.7189 0.25 78 11 0.5 0.7804 0.1286 79 1 0.6374 0.1674 0.75 80 3 0.7922 0.5 0.5 81 4 0.8477 0.2018 0.6413 82 7 0.8853 0.3697 0.5798 83 8 0.5867 0.5264 0.6521 84 9 0.7559 0.131 0.6079 85 10 0.833 0.2811 0.75 86 1 0.3626 0.8326 0.25 87 3 0.2078 0.5 0.0 88 4 0.1523 0.7982 0.1413 89 7 0.1147 0.6303 0.0798 90 8 0.4133 0.4736 0.1521 91 9 0.2441 0.869 0.1079 92 10 0.167 0.7189 0.25 93 4 0.1523 0.2018 0.8587 94 5 0.5 0.4388 0.892 95 7 0.1147 0.3697 0.9202 96 8 0.4133 0.5264 0.8479 97 9 0.2441 0.131 0.8921 98 11 0.5 0.2196 0.8714 99 4 0.8477 0.7982 0.3587 100 5 0.5 0.5612 0.392 101 7 0.8853 0.6303 0.4202 102 8 0.5867 0.4736 0.3479 103 9 0.7559 0.869 0.3921 104 11 0.5 0.7804 0.3714 105 4 0.8477 0.2018 0.8587 106 7 0.8853 0.3697 0.9202 107 8 0.5867 0.5264 0.8479 108 9 0.7559 0.131 0.8921 109 4 0.1523 0.7982 0.3587 110 7 0.1147 0.6303 0.4202 111 8 0.4133 0.4736 0.3479 112 9 0.2441 0.869 0.3921 X-ray density (g/cm cub.) = 3.58 MU (1/cm) = 586.833 Mass attenuation coefficient (cm**2/g) = 163.766 Selected interatomic distances (cation-anion,anion-anion): NoP Atom Rad.sph. C.N. Distance NoP N. (angs.) (angs.) 1 Ba 3.288 10 3.0258 8 2.756 9 3.1724 10 2.7847 11 3.0258 8 2.756 9 2.7847 11 3.2413 7 2.8008 10 3.2413 7 2 Ca 2.88 6 2.321 7 2.321 7 2.321 7 2.321 7 2.4092 11 2.4092 11 3 Fe ,Mg ,Mn 2.724 4 2.0698 7 2.0698 7 1.9485 9 1.9485 9 4 Si ,Al 2.316 4 1.5976 7 1.5977 9 1.6614 10 1.6291 8 5 Si 2.1 4 1.5957 6 1.6225 8 1.5944 11 1.6225 8 6 O 3.264 6 2.56 8 2.7126 11 2.56 8 2.56 8 2.7126 11 2.56 8 7 O 3.264 6 2.681 9 2.631 10 2.9351 7 3.158 11 2.6969 8 2.924 9 8 O 3.264 7 2.56 6 2.6021 11 2.7184 8 2.7821 8 2.6969 7 2.6538 9 2.6146 10 9 O 3.264 4 2.681 7 2.5864 10 2.924 7 2.6538 8 10 O 3.264 6 2.631 7 2.5864 9 2.631 7 2.5864 9 2.6146 8 2.6146 8 11 O 3.264 5 2.7126 6 2.6021 8 2.6021 8 3.158 7 3.158 7 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 2 0 0 5.639 11.279 0.064 204.14 2 96.3 149.3 2 0 0 2 6.224 12.449 0.07 167.17 2 163.8 353.7 3 1 1 0 6.8 13.6 0.077 139.69 4 64.6 91.9 4 1 1 1 7.483 14.965 0.085 114.98 8 131.7 628.9 5 2 0 2 8.414 16.828 0.095 90.47 4 41.9 25.0 6 1 1 2 9.239 18.477 0.104 74.66 8 3.3 0.3 7 3 1 0 10.52 21.04 0.119 57.09 4 298.6 802.9 8 3 1 1 10.979 21.959 0.124 52.24 8 7.7 1.0 9 4 0 0 11.335 22.669 0.128 48.89 2 270.8 282.7 10 1 1 3 11.605 23.211 0.131 46.53 8 232.4 792.8 11 3 1 2 12.26 24.519 0.138 41.48 8 44.0 25.4 12 0 2 0 12.443 24.885 0.14 40.21 2 38.1 4.6 13 0 0 4 12.524 25.047 0.141 39.67 2 155.1 75.2 14 0 2 1 12.837 25.674 0.144 37.65 4 392.2 913.6 15 4 0 2 12.971 25.942 0.146 36.84 4 570.7 1892.0 16 2 2 0 13.699 27.397 0.154 32.82 4 120.2 74.8 17 2 0 4 13.773 27.545 0.155 32.45 4 152.3 118.7 18 0 2 2 13.958 27.915 0.157 31.54 4 474.8 1121.4 19 2 2 1 14.06 28.12 0.158 31.05 8 143.1 200.6 20 3 1 3 14.153 28.305 0.159 30.62 8 397.7 1527.5 21 1 1 4 14.304 28.608 0.16 29.94 8 331.2 1035.8 22 2 2 2 15.097 30.194 0.169 26.67 8 100.9 85.6 23 5 1 0 15.56 31.121 0.174 25.0 4 60.3 14.3 24 0 2 3 15.661 31.323 0.175 24.65 4 282.7 310.6 25 5 1 1 15.883 31.766 0.178 23.92 8 63.1 30.0 26 3 1 4 16.467 32.935 0.184 22.12 8 198.2 274.0 27 2 2 3 16.695 33.39 0.186 21.47 8 102.6 71.3 28 5 1 2 16.818 33.637 0.188 21.13 8 162.2 175.4 29 4 2 0 16.956 33.912 0.189 20.76 4 402.0 529.1 30 4 0 4 17.017 34.034 0.19 20.6 4 205.8 137.5 31 6 0 0 17.146 34.292 0.191 20.26 2 333.6 177.7 32 1 1 5 17.205 34.41 0.192 20.11 8 195.2 241.6 33 4 2 1 17.255 34.511 0.193 19.98 8 263.8 438.4 34 0 2 4 17.8 35.599 0.198 18.67 4 59.9 10.5 35 4 2 2 18.128 36.256 0.202 17.94 8 25.3 3.6 36 5 1 3 18.283 36.565 0.204 17.61 8 229.9 293.6 37 6 0 2 18.307 36.614 0.204 17.55 4 131.9 48.2 38 2 2 4 18.729 37.458 0.208 16.69 8 79.2 33.0 39 0 0 6 18.982 37.963 0.211 16.21 2 172.4 38.0 40 3 1 5 19.075 38.15 0.212 16.03 8 356.3 642.1 41 1 3 0 19.081 38.162 0.212 16.02 4 242.7 148.8 42 1 3 1 19.352 38.704 0.215 15.53 8 27.1 3.6 43 4 2 3 19.507 39.013 0.217 15.26 8 335.2 540.7 44 2 0 6 19.864 39.728 0.221 14.66 4 27.7 1.8 45 1 3 2 20.146 40.293 0.224 14.2 8 264.5 313.3 46 5 1 4 20.178 40.356 0.224 14.15 8 140.2 87.8 47 1 1 6 20.252 40.504 0.225 14.04 8 102.9 46.9 48 0 2 5 20.259 40.517 0.225 14.03 4 89.5 17.7 49 3 3 0 20.807 41.614 0.231 13.22 4 101.2 21.3 50 3 3 1 21.059 42.119 0.233 12.87 8 58.2 13.7 51 2 2 5 21.096 42.192 0.234 12.82 8 5.3 0.1 52 7 1 0 21.126 42.252 0.234 12.77 4 52.4 5.5 53 4 2 4 21.31 42.62 0.236 12.53 8 238.7 225.1 54 7 1 1 21.375 42.75 0.237 12.44 8 199.1 155.6 55 1 3 3 21.415 42.831 0.237 12.39 8 3.2 0.0 56 6 2 0 21.417 42.834 0.237 12.39 4 178.8 62.5 57 6 0 4 21.467 42.934 0.238 12.32 4 166.1 53.6 58 6 2 1 21.663 43.327 0.24 12.07 8 89.2 30.3 59 3 3 2 21.802 43.604 0.241 11.9 8 308.1 356.4 60 3 1 6 21.901 43.802 0.242 11.78 8 173.8 112.3 61 7 1 2 22.109 44.218 0.244 11.53 8 251.3 229.6 62 4 0 6 22.336 44.671 0.247 11.27 4 331.3 195.1 63 6 2 2 22.39 44.78 0.247 11.21 8 230.1 187.2 64 5 1 5 22.418 44.835 0.248 11.18 8 125.5 55.5 65 0 2 6 22.964 45.928 0.253 10.59 4 338.5 191.2 66 3 3 3 22.997 45.994 0.254 10.55 8 55.0 10.1 67 1 3 4 23.097 46.194 0.255 10.45 8 96.1 30.5 68 8 0 0 23.146 46.292 0.255 10.4 2 463.9 176.4 69 7 1 3 23.292 46.583 0.257 10.25 8 248.0 198.9 70 1 1 7 23.423 46.846 0.258 10.12 8 180.9 104.5 71 4 2 5 23.462 46.925 0.258 10.08 8 141.9 64.0 72 6 2 3 23.561 47.123 0.259 9.99 8 144.0 65.3 73 2 2 6 23.725 47.449 0.261 9.83 8 69.4 14.9 74 5 3 0 23.952 47.903 0.264 9.62 4 326.0 161.3 75 8 0 2 24.064 48.128 0.265 9.52 4 160.3 38.6 76 5 3 1 24.178 48.356 0.266 9.42 8 75.7 17.0 77 3 3 4 24.593 49.187 0.27 9.06 8 342.2 334.8 78 5 3 2 24.847 49.694 0.273 8.85 8 49.4 6.8 79 7 1 4 24.874 49.748 0.273 8.83 8 92.8 24.0 80 3 1 7 24.905 49.81 0.273 8.81 8 114.5 36.4 81 5 1 6 24.936 49.873 0.274 8.78 8 329.8 301.2 82 1 3 5 25.129 50.259 0.276 8.63 8 21.3 1.2 83 6 2 4 25.131 50.261 0.276 8.63 8 82.4 18.5 84 0 4 0 25.526 51.053 0.28 8.33 2 59.0 2.3 85 0 0 8 25.702 51.403 0.282 8.2 2 672.2 292.0 86 0 4 1 25.742 51.484 0.282 8.17 4 352.6 160.2 87 0 2 7 25.873 51.746 0.283 8.07 4 228.6 66.5 88 4 2 6 25.904 51.808 0.284 8.05 8 46.5 5.5 89 5 3 3 25.934 51.867 0.284 8.03 8 61.1 9.5 90 6 0 6 26.039 52.078 0.285 7.96 4 56.8 4.0 91 2 4 0 26.231 52.462 0.287 7.83 4 53.4 3.5 92 0 4 2 26.382 52.764 0.288 7.72 4 218.4 58.1 93 2 0 8 26.403 52.806 0.289 7.71 4 91.6 10.2 94 2 4 1 26.443 52.885 0.289 7.68 8 21.7 1.1 95 3 3 5 26.54 53.08 0.29 7.62 8 68.3 11.2 96 2 2 7 26.571 53.142 0.29 7.6 8 137.1 45.1 97 8 2 0 26.632 53.264 0.291 7.56 4 130.3 20.2 98 8 0 4 26.674 53.349 0.291 7.53 4 38.9 1.8 99 1 1 8 26.715 53.431 0.292 7.51 8 74.5 13.1 100 7 1 5 26.806 53.612 0.293 7.45 8 281.2 185.7 101 8 2 1 26.841 53.683 0.293 7.43 8 195.8 89.8 102 6 2 5 27.049 54.099 0.295 7.3 8 83.3 16.0 103 2 4 2 27.071 54.142 0.295 7.28 8 44.8 4.6 104 9 1 0 27.074 54.148 0.295 7.28 4 104.3 12.5 105 9 1 1 27.281 54.563 0.298 7.16 8 121.1 33.1 106 5 3 4 27.403 54.806 0.299 7.08 8 212.6 101.0 107 0 4 3 27.425 54.851 0.299 7.07 4 102.3 11.7 108 1 3 6 27.462 54.924 0.299 7.05 8 292.8 190.6 109 8 2 2 27.463 54.927 0.299 7.05 8 118.1 31.0 110 5 1 7 27.692 55.384 0.302 6.92 8 62.2 8.4 111 9 1 2 27.897 55.793 0.304 6.8 8 105.6 23.9 112 3 1 8 28.07 56.14 0.305 6.71 8 158.1 52.9 113 2 4 3 28.097 56.193 0.306 6.69 8 66.5 9.3 114 7 3 0 28.162 56.324 0.306 6.66 4 283.5 84.4 115 4 4 0 28.27 56.54 0.307 6.6 4 191.4 38.1 116 7 3 1 28.364 56.727 0.308 6.55 8 98.1 19.9 117 4 0 8 28.434 56.867 0.309 6.51 4 91.8 8.7 118 4 4 1 28.471 56.943 0.309 6.49 8 207.0 87.8 119 8 2 3 28.48 56.959 0.31 6.49 8 224.4 103.1 120 4 2 7 28.594 57.187 0.311 6.43 8 179.7 65.5 121 3 3 6 28.793 57.585 0.313 6.33 8 349.9 244.5 122 0 4 4 28.843 57.686 0.313 6.31 4 31.3 1.0 123 9 1 3 28.903 57.806 0.314 6.28 8 21.0 0.9 124 7 3 2 28.964 57.928 0.314 6.25 8 149.1 43.8 125 0 2 8 28.964 57.928 0.314 6.25 4 53.6 2.8 126 7 1 6 29.044 58.089 0.315 6.21 8 170.6 57.0 127 4 4 2 29.07 58.14 0.315 6.2 8 27.4 1.5 128 5 3 5 29.218 58.437 0.317 6.13 8 9.6 0.2 129 6 2 6 29.276 58.551 0.317 6.1 8 17.3 0.6 130 10 0 0 29.429 58.858 0.319 6.03 2 62.6 1.9 131 2 4 4 29.493 58.986 0.32 6.0 8 93.6 16.6 132 2 2 8 29.612 59.225 0.321 5.94 8 31.2 1.8 133 8 2 4 29.864 59.729 0.323 5.83 8 75.6 10.5 134 7 3 3 29.947 59.894 0.324 5.8 8 61.6 6.9 135 4 4 3 30.051 60.102 0.325 5.75 8 253.6 116.6 136 1 3 7 30.058 60.115 0.325 5.75 8 52.5 5.0 137 1 1 9 30.136 60.273 0.326 5.72 8 109.4 21.6 138 10 0 2 30.21 60.419 0.327 5.68 4 374.8 125.9 139 9 1 4 30.276 60.551 0.327 5.66 8 134.8 32.4 140 0 4 5 30.603 61.206 0.33 5.52 4 91.7 7.3 141 5 1 8 30.66 61.32 0.331 5.5 8 76.1 10.0 142 8 0 6 30.677 61.354 0.331 5.49 4 304.4 80.3 143 2 4 5 31.231 62.461 0.337 5.28 8 3.7 0.0 144 7 3 4 31.292 62.583 0.337 5.26 8 376.2 234.7 145 3 3 7 31.318 62.637 0.337 5.25 8 29.1 1.4 146 5 3 6 31.346 62.691 0.338 5.24 8 48.3 3.8 147 4 4 4 31.393 62.786 0.338 5.22 8 258.4 110.0 148 3 1 9 31.395 62.79 0.338 5.22 8 56.9 5.3 149 6 4 0 31.474 62.949 0.339 5.19 4 102.3 8.6 150 4 2 8 31.508 63.017 0.339 5.18 8 283.1 130.9 151 7 1 7 31.558 63.115 0.34 5.16 8 234.6 89.6 152 8 2 5 31.59 63.18 0.34 5.15 8 140.0 31.8 153 6 0 8 31.628 63.256 0.34 5.14 4 300.6 73.2 154 6 4 1 31.663 63.326 0.341 5.12 8 227.8 83.8 155 6 2 7 31.778 63.556 0.342 5.08 8 22.8 0.8 156 9 1 5 31.988 63.976 0.344 5.01 8 75.2 8.9 157 6 4 2 32.226 64.452 0.346 4.93 8 113.9 20.2 158 0 2 9 32.232 64.465 0.346 4.93 4 339.1 89.4 159 10 2 0 32.446 64.893 0.348 4.86 4 383.9 112.9 160 10 0 4 32.484 64.968 0.349 4.85 4 16.9 0.2 161 10 2 1 32.632 65.264 0.35 4.8 8 249.5 94.2 162 0 4 6 32.677 65.354 0.35 4.78 4 382.4 110.3 163 1 5 0 32.744 65.489 0.351 4.76 4 76.4 4.4 164 0 0 10 32.827 65.654 0.352 4.74 2 165.6 10.2 165 2 2 9 32.843 65.685 0.352 4.73 8 16.7 0.4 166 1 3 8 32.895 65.789 0.353 4.72 8 92.0 12.6 167 1 5 1 32.929 65.859 0.353 4.71 8 108.9 17.6 168 7 3 5 32.974 65.948 0.353 4.69 8 78.6 9.1 169 4 4 5 33.073 66.146 0.354 4.66 8 156.5 36.0 170 6 4 3 33.152 66.304 0.355 4.64 8 30.6 1.4 171 10 2 2 33.186 66.372 0.355 4.63 8 19.1 0.5 172 9 3 0 33.211 66.422 0.356 4.62 4 43.7 1.4 173 2 4 6 33.283 66.566 0.356 4.6 8 58.5 5.0 174 9 3 1 33.395 66.789 0.357 4.57 8 61.8 5.5 175 2 0 10 33.432 66.863 0.358 4.56 4 37.7 1.0 176 11 1 0 33.443 66.886 0.358 4.55 4 176.3 22.3 177 1 5 2 33.48 66.961 0.358 4.54 8 22.7 0.7 178 11 1 1 33.626 67.252 0.359 4.5 8 149.0 31.5 179 8 2 6 33.63 67.261 0.36 4.5 8 41.2 2.4 180 1 1 10 33.703 67.406 0.36 4.48 8 15.8 0.4 181 5 3 7 33.759 67.519 0.361 4.46 8 50.3 3.6 182 5 1 9 33.833 67.667 0.361 4.44 8 108.8 16.6 183 9 3 2 33.942 67.884 0.362 4.41 8 97.0 13.1 184 3 5 0 33.949 67.899 0.363 4.41 4 0.7 0.0 185 9 1 6 34.016 68.032 0.363 4.39 8 104.4 15.1 186 3 3 8 34.097 68.194 0.364 4.37 8 75.8 7.9 187 10 2 3 34.099 68.197 0.364 4.37 8 20.5 0.6 188 3 5 1 34.131 68.262 0.364 4.36 8 226.3 70.4 189 11 1 2 34.172 68.343 0.365 4.35 8 124.2 21.2 190 7 1 8 34.326 68.652 0.366 4.31 8 7.9 0.1 191 1 5 3 34.389 68.779 0.367 4.3 8 217.3 64.0 192 6 4 4 34.427 68.854 0.367 4.29 8 56.2 4.3 193 6 2 8 34.537 69.074 0.368 4.26 8 81.4 8.9 194 4 2 9 34.64 69.279 0.369 4.23 8 283.0 106.9 195 3 5 2 34.673 69.346 0.369 4.22 8 73.0 7.1 196 9 3 3 34.845 69.69 0.371 4.18 8 5.6 0.0 197 3 1 10 34.892 69.783 0.371 4.17 8 14.4 0.3 198 7 3 6 34.973 69.946 0.372 4.15 8 274.4 98.6 199 0 4 7 35.043 70.086 0.373 4.13 4 279.9 51.1 200 4 4 6 35.069 70.138 0.373 4.13 8 58.6 4.5 201 11 1 3 35.072 70.144 0.373 4.13 8 284.3 105.2 202 4 0 10 35.214 70.428 0.374 4.09 4 494.0 157.5 203 10 2 4 35.357 70.715 0.376 4.06 8 100.5 12.9 204 3 5 3 35.567 71.135 0.378 4.01 8 146.1 27.0 205 2 4 7 35.63 71.259 0.378 4.0 8 37.4 1.8 206 1 5 4 35.644 71.287 0.378 4.0 8 188.8 44.9 207 8 4 0 35.681 71.362 0.379 3.99 4 162.5 16.6 208 0 2 10 35.687 71.374 0.379 3.99 4 356.5 79.9 209 8 0 8 35.825 71.65 0.38 3.96 4 249.2 38.7 210 8 4 1 35.858 71.717 0.38 3.95 8 244.4 74.4 211 1 3 9 35.965 71.93 0.381 3.93 8 29.8 1.1 212 8 2 7 35.966 71.933 0.381 3.93 8 159.9 31.7 213 6 4 5 36.035 72.071 0.382 3.91 8 56.4 3.9 214 9 3 4 36.092 72.185 0.382 3.9 8 180.9 40.3 215 10 0 6 36.104 72.208 0.382 3.9 4 224.4 31.0 216 12 0 0 36.13 72.259 0.383 3.89 2 11.2 0.0 217 2 2 10 36.269 72.538 0.384 3.86 8 61.4 4.6 218 5 5 0 36.302 72.603 0.384 3.86 4 158.3 15.2 219 11 1 4 36.316 72.632 0.384 3.85 8 55.6 3.8 220 9 1 7 36.341 72.681 0.385 3.85 8 56.1 3.8 221 8 4 2 36.389 72.778 0.385 3.84 8 70.3 6.0 222 5 3 8 36.445 72.89 0.386 3.83 8 168.2 34.2 223 5 5 1 36.478 72.956 0.386 3.82 8 121.9 17.9 224 3 5 4 36.804 73.608 0.389 3.76 8 292.2 101.2 225 12 0 2 36.834 73.668 0.389 3.75 4 50.3 1.5 226 10 2 5 36.948 73.896 0.39 3.73 8 85.8 8.7 227 5 5 2 37.005 74.01 0.391 3.72 8 161.8 30.7 228 3 3 9 37.122 74.244 0.392 3.7 8 116.6 15.8 229 5 1 10 37.218 74.436 0.393 3.68 8 67.2 5.2 230 1 5 5 37.229 74.459 0.393 3.68 8 113.2 14.9 231 8 4 3 37.266 74.533 0.393 3.67 8 97.9 11.1 232 7 3 7 37.272 74.544 0.393 3.67 8 47.1 2.6 233 7 1 9 37.343 74.686 0.394 3.66 8 112.8 14.7 234 4 4 7 37.366 74.731 0.394 3.65 8 121.1 16.9 235 1 1 11 37.442 74.884 0.395 3.64 8 48.9 2.7 236 6 2 9 37.547 75.093 0.396 3.62 8 129.1 19.0 237 9 3 5 37.671 75.342 0.397 3.6 8 19.0 0.4 238 0 4 8 37.689 75.378 0.397 3.6 4 87.3 4.3 239 5 5 3 37.877 75.754 0.399 3.56 8 32.2 1.2 240 11 1 5 37.891 75.782 0.399 3.56 8 266.7 79.9 241 6 4 6 37.963 75.925 0.399 3.55 8 39.9 1.8 242 4 2 10 37.994 75.987 0.4 3.54 8 33.2 1.2 243 6 0 10 38.103 76.207 0.401 3.53 4 111.9 7.0 244 2 4 8 38.259 76.519 0.402 3.5 8 14.7 0.2 245 3 5 5 38.372 76.744 0.403 3.48 8 133.8 19.7 246 8 4 4 38.482 76.965 0.404 3.47 8 66.7 4.9 247 3 1 11 38.583 77.165 0.405 3.45 8 132.6 19.1 248 8 2 8 38.588 77.175 0.405 3.45 8 92.0 9.2 249 10 2 6 38.859 77.718 0.407 3.41 8 74.6 6.0 250 12 2 0 38.884 77.768 0.407 3.41 4 16.0 0.1 251 12 0 4 38.919 77.838 0.408 3.4 4 314.2 52.9 252 9 1 8 38.953 77.906 0.408 3.4 8 54.0 3.1 253 11 3 0 39.031 78.062 0.409 3.39 4 113.4 6.9 254 12 2 1 39.056 78.113 0.409 3.38 8 73.6 5.8 255 5 5 4 39.087 78.174 0.409 3.38 8 19.6 0.4 256 1 5 6 39.136 78.271 0.41 3.37 8 77.3 6.4 257 11 3 1 39.203 78.406 0.41 3.36 8 0.6 0.0 258 1 3 10 39.275 78.551 0.411 3.35 8 158.9 26.7 259 0 2 11 39.35 78.699 0.412 3.34 4 183.1 17.7 260 5 3 9 39.398 78.796 0.412 3.33 8 18.5 0.4 261 9 3 6 39.57 79.141 0.414 3.31 8 90.1 8.5 262 12 2 2 39.572 79.143 0.414 3.31 8 83.8 7.3 263 11 3 2 39.718 79.435 0.415 3.29 8 191.7 38.1 264 7 5 0 39.725 79.449 0.415 3.29 4 6.9 0.0 265 11 1 6 39.787 79.574 0.415 3.28 8 121.2 15.2 266 7 3 8 39.864 79.727 0.416 3.27 8 236.1 57.5 267 7 5 1 39.896 79.792 0.416 3.27 8 133.5 18.4 268 2 2 11 39.913 79.825 0.416 3.27 8 31.2 1.0 269 4 4 8 39.955 79.911 0.417 3.26 8 123.2 15.6 270 8 4 5 40.029 80.058 0.417 3.25 8 107.0 11.7 271 6 4 7 40.2 80.399 0.419 3.23 8 126.5 16.3 272 3 5 6 40.262 80.523 0.42 3.22 8 117.1 13.9 273 0 6 0 40.27 80.54 0.42 3.22 2 347.9 30.7 274 13 1 0 40.374 80.747 0.42 3.21 4 107.6 5.9 275 3 3 10 40.4 80.8 0.421 3.21 8 174.2 30.7 276 7 5 2 40.408 80.817 0.421 3.2 8 157.1 24.9 277 12 2 3 40.427 80.853 0.421 3.2 8 157.8 25.2 278 0 6 1 40.441 80.881 0.421 3.2 4 74.8 2.8 279 13 1 1 40.544 81.088 0.422 3.19 8 14.1 0.2 280 11 3 3 40.572 81.144 0.422 3.19 8 13.6 0.2 281 0 0 12 40.581 81.163 0.422 3.18 2 328.8 27.2 282 0 4 9 40.614 81.227 0.423 3.18 4 261.9 34.4 283 7 1 10 40.616 81.232 0.423 3.18 8 194.5 37.9 284 5 5 5 40.627 81.254 0.423 3.18 8 5.7 0.0 285 10 4 0 40.809 81.618 0.424 3.16 4 185.6 17.2 286 6 2 10 40.815 81.63 0.424 3.16 8 239.7 57.2 287 2 6 0 40.83 81.66 0.424 3.16 4 110.0 6.0 288 5 1 11 40.835 81.669 0.424 3.16 8 85.4 7.3 289 10 0 8 40.947 81.895 0.425 3.14 4 91.3 4.1 290 0 6 2 40.951 81.903 0.425 3.14 4 95.2 4.5 291 10 4 1 40.979 81.958 0.426 3.14 8 171.6 29.2 292 2 6 1 41.0 82.0 0.426 3.14 8 2.0 0.0 293 13 1 2 41.055 82.109 0.426 3.13 8 36.1 1.3 294 10 2 7 41.083 82.166 0.427 3.13 8 202.9 40.6 295 2 0 12 41.141 82.281 0.427 3.12 4 73.0 2.6 296 2 4 9 41.173 82.345 0.427 3.12 8 58.0 3.3 297 7 5 3 41.259 82.518 0.428 3.11 8 237.2 55.2 298 1 5 7 41.356 82.711 0.429 3.1 8 50.2 2.5 299 1 1 12 41.393 82.785 0.429 3.1 8 139.6 19.0 300 10 4 2 41.489 82.978 0.43 3.09 8 42.7 1.8 301 8 2 9 41.495 82.99 0.43 3.09 8 196.5 37.6 302 2 6 2 41.51 83.019 0.43 3.09 8 9.7 0.1 303 4 2 11 41.591 83.182 0.431 3.08 8 165.2 26.5 304 12 2 4 41.617 83.234 0.431 3.07 8 4.8 0.0 305 11 3 4 41.761 83.522 0.432 3.06 8 303.4 88.9 306 9 3 7 41.785 83.57 0.433 3.06 8 7.2 0.0 307 0 6 3 41.8 83.6 0.433 3.06 4 46.0 1.0 308 9 1 9 41.854 83.708 0.433 3.05 8 135.8 17.7 309 8 4 6 41.9 83.8 0.434 3.05 8 132.4 16.9 310 13 1 3 41.903 83.806 0.434 3.05 8 33.0 1.0 311 11 1 7 41.999 83.999 0.434 3.04 8 144.7 20.1 312 8 0 10 42.038 84.075 0.435 3.03 4 92.1 4.1 313 12 0 6 42.328 84.657 0.437 3.01 4 97.7 4.5 314 10 4 3 42.336 84.671 0.437 3.01 8 122.8 14.3 315 2 6 3 42.356 84.713 0.437 3.01 8 10.1 0.1 316 7 5 4 42.445 84.89 0.438 3.0 8 109.0 11.2 317 3 5 7 42.469 84.938 0.438 3.0 8 205.6 40.0 318 5 5 6 42.493 84.986 0.438 2.99 8 120.9 13.8 319 4 6 0 42.501 85.003 0.439 2.99 4 185.4 16.2 320 3 1 12 42.506 85.011 0.439 2.99 8 133.7 16.9 321 5 3 10 42.63 85.261 0.44 2.98 8 5.7 0.0 322 4 6 1 42.67 85.341 0.44 2.98 8 114.7 12.4 323 6 4 8 42.745 85.491 0.441 2.97 8 48.8 2.2 324 7 3 9 42.751 85.503 0.441 2.97 8 53.5 2.7 325 4 0 12 42.81 85.62 0.441 2.97 4 180.8 15.3 326 4 4 9 42.842 85.684 0.441 2.97 8 233.4 51.0 327 1 3 11 42.847 85.695 0.441 2.97 8 40.0 1.5 328 0 6 4 42.984 85.968 0.443 2.96 4 310.7 45.0 329 13 1 4 43.086 86.173 0.443 2.95 8 127.7 15.2 330 12 2 5 43.139 86.277 0.444 2.94 8 134.8 16.9 331 4 6 2 43.177 86.354 0.444 2.94 8 266.5 65.9 332 0 2 12 43.258 86.516 0.445 2.93 4 42.2 0.8 333 11 3 5 43.282 86.565 0.445 2.93 8 49.3 2.2 334 14 0 0 43.463 86.925 0.447 2.92 2 364.7 30.6 335 10 4 4 43.517 87.035 0.447 2.92 8 159.2 23.3 336 2 6 4 43.538 87.076 0.447 2.91 8 11.4 0.1 337 10 2 8 43.62 87.24 0.448 2.91 8 255.6 60.0 338 2 2 12 43.812 87.624 0.449 2.9 8 4.0 0.0 339 0 4 10 43.83 87.659 0.45 2.9 4 112.3 5.8 340 1 5 8 43.891 87.782 0.45 2.89 8 113.7 11.8 341 3 3 11 43.956 87.911 0.451 2.89 8 58.6 3.1 342 7 5 5 43.964 87.927 0.451 2.89 8 196.3 35.1 343 4 6 3 44.02 88.039 0.451 2.88 8 119.8 13.1 344 8 4 7 44.095 88.19 0.452 2.88 8 207.7 39.1 345 14 0 2 44.137 88.274 0.452 2.88 4 92.6 3.9 346 7 1 11 44.169 88.338 0.452 2.87 8 99.8 9.0 347 9 5 0 44.181 88.361 0.452 2.87 4 155.4 10.9 348 9 3 8 44.317 88.635 0.453 2.87 8 31.3 0.9 349 9 5 1 44.349 88.698 0.454 2.86 8 48.5 2.1 350 6 2 11 44.366 88.731 0.454 2.86 8 143.6 18.6 351 2 4 10 44.383 88.766 0.454 2.86 8 14.9 0.2 352 0 6 5 44.501 89.002 0.455 2.85 4 101.0 4.6 353 11 1 8 44.531 89.061 0.455 2.85 8 106.3 10.2 354 13 1 5 44.603 89.206 0.456 2.85 8 122.6 13.5 355 5 5 7 44.685 89.371 0.456 2.84 8 101.8 9.3 356 8 2 10 44.703 89.406 0.457 2.84 8 127.4 14.6 357 5 1 12 44.722 89.444 0.457 2.84 8 66.5 4.0 358 9 5 2 44.854 89.709 0.458 2.84 8 63.4 3.6 359 12 2 6 44.992 89.984 0.459 2.83 8 107.0 10.2 360 3 5 8 44.998 89.996 0.459 2.83 8 48.9 2.1 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 5.639 11.279 7.8385 149.3 7.9 8.0 5.6 2 0 0 2 6.224 12.449 7.1045 353.7 18.7 18.9 5.6 3 1 1 0 6.8 13.6 6.50535 91.9 4.9 4.9 5.6 4 1 1 1 7.483 14.965 5.9149 628.9 33.2 33.5 5.6 5 2 0 2 8.414 16.828 5.26405 25.0 1.3 1.3 5.6 6 3 1 0 10.52 21.04 4.21897 802.9 42.4 42.6 5.6 7 4 0 0 11.335 22.669 3.91925 282.7 14.9 15.0 5.6 8 1 1 3 11.605 23.211 3.829 792.8 41.9 42.0 5.6 9 3 1 2 12.26 24.519 3.62755 25.4 1.3 1.3 5.6 10 0 0 4 12.524 25.047 3.55225 75.2 4.0 4.0 5.6 11 0 2 1 12.837 25.674 3.46695 913.6 48.3 48.3 5.6 12 4 0 2 12.971 25.942 3.4317 1892.0 100.0 100.0 5.6 13 2 2 0 13.699 27.397 3.25267 74.8 4.0 3.9 5.6 14 2 0 4 13.773 27.545 3.23551 118.7 6.3 6.3 5.6 15 0 2 2 13.958 27.915 3.19348 1121.4 59.3 59.2 5.6 16 2 2 1 14.06 28.12 3.17066 200.6 10.6 10.6 5.6 17 3 1 3 14.153 28.305 3.15036 1527.5 80.7 80.6 5.6 18 1 1 4 14.304 28.608 3.11772 1035.8 54.7 54.6 5.6 19 2 2 2 15.097 30.194 2.95745 85.6 4.5 4.5 5.6 20 0 2 3 15.661 31.323 2.85341 310.6 16.4 16.3 5.6 21 5 1 1 15.883 31.766 2.81455 30.0 1.6 1.6 5.6 22 3 1 4 16.467 32.935 2.71734 274.0 14.5 14.4 5.6 23 2 2 3 16.695 33.39 2.68128 71.3 3.8 3.7 5.7 24 5 1 2 16.818 33.637 2.66222 175.4 9.3 9.2 5.7 25 4 2 0 16.956 33.912 2.64124 529.1 28.0 27.8 5.7 26 4 0 4 17.017 34.034 2.63203 137.5 7.3 7.2 5.7 27 6 0 0 17.146 34.292 2.61283 177.7 9.4 9.3 5.7 28 1 1 5 17.205 34.41 2.60417 241.6 12.8 12.7 5.7 29 4 2 1 17.255 34.511 2.59676 438.4 23.2 23.0 5.7 30 5 1 3 18.283 36.565 2.45544 341.7 18.1 17.9 5.7 31 2 2 4 18.729 37.458 2.39892 33.0 1.7 1.7 5.7 32 0 0 6 18.982 37.963 2.36817 38.0 2.0 2.0 5.7 33 3 1 5 19.075 38.15 2.35698 790.9 41.8 41.4 5.7 34 4 2 3 19.507 39.013 2.3068 540.7 28.6 28.3 5.7 35 1 3 2 20.146 40.293 2.23647 313.3 16.6 16.4 5.7 36 5 1 4 20.178 40.356 2.2331 87.8 4.6 4.6 5.7 37 1 1 6 20.252 40.504 2.2253 64.6 3.4 3.4 5.7 38 3 3 0 20.807 41.614 2.16845 21.3 1.1 1.1 5.7 39 4 2 4 21.31 42.62 2.11955 225.1 11.9 11.7 5.7 40 7 1 1 21.375 42.75 2.11341 155.6 8.2 8.1 5.7 41 6 2 0 21.417 42.834 2.10948 62.5 3.3 3.3 5.7 42 6 0 4 21.467 42.934 2.10478 53.6 2.8 2.8 5.7 43 6 2 1 21.663 43.327 2.08661 30.3 1.6 1.6 5.7 44 3 3 2 21.802 43.604 2.07399 356.4 18.8 18.5 5.7 45 3 1 6 21.901 43.802 2.06508 112.3 5.9 5.8 5.7 46 7 1 2 22.109 44.218 2.04659 229.6 12.1 11.9 5.7 47 4 0 6 22.336 44.671 2.02689 195.1 10.3 10.1 5.7 48 6 2 2 22.39 44.78 2.02222 242.7 12.8 12.6 5.7 49 0 2 6 22.964 45.928 1.97429 191.2 10.1 9.9 5.7 50 1 3 4 23.097 46.194 1.96356 30.5 1.6 1.6 5.7 51 8 0 0 23.146 46.292 1.95963 176.4 9.3 9.1 5.7 52 7 1 3 23.292 46.583 1.94804 198.9 10.5 10.3 5.7 53 1 1 7 23.423 46.846 1.93772 104.5 5.5 5.4 5.7 54 4 2 5 23.462 46.925 1.93466 64.0 3.4 3.3 5.7 55 6 2 3 23.561 47.123 1.927 65.3 3.5 3.4 5.7 56 5 3 0 23.952 47.903 1.89739 161.3 8.5 8.3 5.7 57 8 0 2 24.064 48.128 1.88908 38.6 2.0 2.0 5.7 58 3 3 4 24.593 49.187 1.85085 334.8 17.7 17.3 5.7 59 7 1 4 24.874 49.748 1.83129 30.8 1.6 1.6 5.7 60 3 1 7 24.905 49.81 1.82916 36.4 1.9 1.9 5.7 61 5 1 6 24.936 49.873 1.82698 301.2 15.9 15.6 5.7 62 6 2 4 25.131 50.261 1.81377 19.7 1.0 1.0 5.8 63 0 0 8 25.702 51.403 1.77612 292.0 15.4 15.1 5.8 64 0 4 1 25.742 51.484 1.77352 160.2 8.5 8.3 5.8 65 0 2 7 25.873 51.746 1.76517 66.5 3.5 3.4 5.8 66 0 4 2 26.382 52.764 1.73347 68.3 3.6 3.5 5.8 67 2 2 7 26.571 53.142 1.72204 45.1 2.4 2.3 5.8 68 8 2 0 26.632 53.264 1.7184 20.2 1.1 1.0 5.8 69 7 1 5 26.806 53.612 1.70806 185.7 9.8 9.5 5.8 70 8 2 1 26.841 53.683 1.70597 89.8 4.7 4.6 5.8 71 6 2 5 27.049 54.099 1.69382 33.1 1.7 1.7 5.8 72 9 1 1 27.281 54.563 1.68051 33.1 1.8 1.7 5.8 73 5 3 4 27.403 54.806 1.67361 112.7 6.0 5.8 5.8 74 1 3 6 27.462 54.924 1.67032 221.6 11.7 11.4 5.8 75 9 1 2 27.897 55.793 1.64632 23.9 1.3 1.2 5.8 76 3 1 8 28.07 56.14 1.63698 62.2 3.3 3.2 5.8 77 7 3 0 28.162 56.324 1.63207 84.4 4.5 4.3 5.8 78 4 4 0 28.27 56.54 1.62634 38.1 2.0 2.0 5.8 79 7 3 1 28.364 56.727 1.62141 19.9 1.1 1.0 5.8 80 8 2 3 28.48 56.959 1.61537 190.9 10.1 9.8 5.8 81 4 2 7 28.594 57.187 1.60946 65.5 3.5 3.4 5.8 82 3 3 6 28.793 57.585 1.59928 244.5 12.9 12.5 5.8 83 7 3 2 28.964 57.928 1.59064 46.6 2.5 2.4 5.8 84 7 1 6 29.044 58.089 1.58661 58.5 3.1 3.0 5.8 85 4 4 3 30.051 60.102 1.53818 121.6 6.4 6.2 5.8 86 1 1 9 30.136 60.273 1.53424 21.6 1.1 1.1 5.8 87 10 0 2 30.21 60.419 1.53087 125.9 6.7 6.4 5.8 88 9 1 4 30.276 60.551 1.52785 32.4 1.7 1.6 5.8 89 8 0 6 30.677 61.354 1.50976 90.3 4.8 4.6 5.8 90 7 3 4 31.292 62.583 1.48303 236.1 12.5 12.0 5.8 91 4 4 4 31.393 62.786 1.47873 115.3 6.1 5.8 5.9 92 4 2 8 31.508 63.017 1.47387 130.9 6.9 6.6 5.9 93 7 1 7 31.558 63.115 1.47181 89.6 4.7 4.5 5.9 94 8 2 5 31.59 63.18 1.47046 31.8 1.7 1.6 5.9 95 6 0 8 31.628 63.256 1.46888 73.2 3.9 3.7 5.9 96 6 4 1 31.663 63.326 1.46741 83.8 4.4 4.3 5.9 97 0 2 9 32.232 64.465 1.44422 109.6 5.8 5.5 5.9 98 10 2 0 32.446 64.893 1.43572 112.9 6.0 5.7 5.9 99 10 2 1 32.632 65.264 1.42845 94.2 5.0 4.8 5.9 100 0 4 6 32.677 65.354 1.4267 110.3 5.8 5.6 5.9 101 4 4 5 33.073 66.146 1.41153 36.0 1.9 1.8 5.9 102 11 1 0 33.443 66.886 1.39769 23.3 1.2 1.2 5.9 103 11 1 1 33.626 67.252 1.39097 34.0 1.8 1.7 5.9 104 3 5 1 34.131 68.262 1.37284 70.4 3.7 3.5 5.9 105 11 1 2 34.172 68.343 1.3714 21.2 1.1 1.1 5.9 106 1 5 3 34.389 68.779 1.36378 64.0 3.4 3.2 5.9 107 4 2 9 34.64 69.279 1.35514 106.9 5.7 5.4 5.9 108 7 3 6 34.973 69.946 1.34385 98.6 5.2 4.9 5.9 109 11 1 3 35.072 70.144 1.34054 160.8 8.5 8.1 5.9 110 4 0 10 35.214 70.428 1.33582 157.5 8.3 7.9 5.9 111 3 5 3 35.567 71.135 1.32428 27.0 1.4 1.4 5.9 112 1 5 4 35.644 71.287 1.32182 46.7 2.5 2.3 5.9 113 0 2 10 35.687 71.374 1.32043 96.5 5.1 4.8 5.9 114 8 0 8 35.825 71.65 1.31601 38.7 2.0 1.9 5.9 115 8 4 1 35.858 71.717 1.31495 74.4 3.9 3.7 5.9 116 8 2 7 35.966 71.933 1.31154 32.8 1.7 1.6 5.9 117 9 3 4 36.092 72.185 1.30758 71.2 3.8 3.6 5.9 118 5 5 0 36.302 72.603 1.30107 19.0 1.0 0.9 6.0 119 5 3 8 36.445 72.89 1.29666 34.2 1.8 1.7 6.0 120 3 5 4 36.804 73.608 1.28577 102.6 5.4 5.1 6.0 121 5 5 2 37.005 74.01 1.27979 30.7 1.6 1.5 6.0 122 1 5 5 37.229 74.459 1.27317 20.1 1.1 1.0 6.0 123 4 4 7 37.366 74.731 1.26921 31.6 1.7 1.6 6.0 124 6 2 9 37.547 75.093 1.26398 19.0 1.0 0.9 6.0 125 11 1 5 37.891 75.782 1.2542 81.1 4.3 4.0 6.0 126 3 5 5 38.372 76.744 1.24086 19.7 1.0 1.0 6.0 127 3 1 11 38.583 77.165 1.23513 28.4 1.5 1.4 6.0 128 12 0 4 38.919 77.838 1.22613 52.9 2.8 2.6 6.0 129 1 3 10 39.275 78.551 1.21678 26.7 1.4 1.3 6.0 130 11 3 2 39.718 79.435 1.20544 38.1 2.0 1.9 6.0 131 7 3 8 39.864 79.727 1.20175 57.5 3.0 2.8 6.0 132 7 5 1 39.896 79.792 1.20095 19.4 1.0 1.0 6.0 133 0 6 0 40.27 80.54 1.19167 44.7 2.4 2.2 6.1 134 12 2 3 40.427 80.853 1.18784 89.5 4.7 4.4 6.1 135 0 0 12 40.581 81.163 1.18408 27.2 1.4 1.3 6.1 136 7 1 10 40.616 81.232 1.18325 72.4 3.8 3.5 6.1 137 6 2 10 40.815 81.63 1.17849 87.6 4.6 4.3 6.1 138 10 4 1 40.979 81.958 1.17459 37.8 2.0 1.8 6.1 139 10 2 7 41.083 82.166 1.17215 41.9 2.2 2.0 6.1 140 7 5 3 41.259 82.518 1.16803 55.2 2.9 2.7 6.1 141 1 1 12 41.393 82.785 1.16494 19.0 1.0 0.9 6.1 142 8 2 9 41.495 82.99 1.1626 39.5 2.1 1.9 6.1 143 4 2 11 41.591 83.182 1.16039 26.5 1.4 1.3 6.1 144 11 3 4 41.761 83.522 1.15653 88.9 4.7 4.3 6.1 145 11 1 7 41.999 83.999 1.15118 20.1 1.1 1.0 6.1 146 10 4 3 42.336 84.671 1.14374 18.9 1.0 0.9 6.1 147 3 5 7 42.469 84.938 1.14084 51.2 2.7 2.5 6.1 148 3 1 12 42.506 85.011 1.14003 46.9 2.5 2.3 6.1 149 4 4 9 42.842 85.684 1.13281 52.5 2.8 2.5 6.1 150 0 6 4 42.984 85.968 1.12979 45.0 2.4 2.2 6.1 151 4 6 2 43.177 86.354 1.12573 65.9 3.5 3.2 6.1 152 14 0 0 43.463 86.925 1.11979 30.6 1.6 1.5 6.1 153 10 4 4 43.517 87.035 1.11866 23.4 1.2 1.1 6.1 154 10 2 8 43.62 87.24 1.11655 60.0 3.2 2.9 6.2 155 7 5 5 43.964 87.927 1.10959 38.2 2.0 1.8 6.2 156 8 4 7 44.095 88.19 1.10696 39.1 2.1 1.9 6.2 157 9 5 0 44.181 88.361 1.10526 20.0 1.1 1.0 6.2 158 6 2 11 44.366 88.731 1.1016 20.7 1.1 1.0 6.2 159 8 2 10 44.703 89.406 1.09504 27.8 1.5 1.3 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) |