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 *** *********************** POUDRETTEITE 1, t-osumilite KNa(2)B(3)Si(12)O(30) Hexagonal P 6/mcc Z = 2 R =0.03 29 .3 .1988 Ref.Str.: Grice Joel D., Ercit T. Scott, Van Velthuizen Jerry (1987) * Canad. Mineral., V25, 763-766 Initial data from BDM-file Lattice parameters (cub. angs.,degr.): a = 10.239 alpha = 90.0 b = 10.239 beta = 90.0 c = 13.485 gamma = 120.0 Unit cell volume (cub. angs.) = 1224.32 Molar volume ( cub.cm/mol.) = 368.73 Co-ordinates, thermal parameters, occupation for atomic positions: NoP x/a y/b z/c B(j) atom / occupation 1 0.0 0.0 0.25 0.0 K = 1.00 2 0.3333 0.6667 0.25 0.0 Na = 1.00 3 0.0 0.5 0.25 0.0 B = 1.00 4 0.0695 0.3376 0.1133 0.0 Si = 1.00 5 0.0821 0.3921 0.0 0.0 O = 1.00 6 0.1892 0.282 0.1333 0.0 O = 1.00 7 0.1004 0.471 0.1873 0.0 O = 1.00 Co-ordinates for all atomic positions : No NoP x/a y/b z/c 1 1 0.0 0.0 0.25 2 2 0.3333 0.6667 0.25 3 3 0.0 0.5 0.25 4 4 0.0695 0.3376 0.1133 5 5 0.0821 0.3921 0.0 6 6 0.1892 0.282 0.1333 7 7 0.1004 0.471 0.1873 8 3 0.5 0.5 0.25 9 3 0.5 0.0 0.25 10 4 0.6624 0.7319 0.1133 11 4 0.2681 0.9305 0.1133 12 5 0.6079 0.69 0.0 13 5 0.31 0.9179 0.0 14 6 0.718 0.9072 0.1333 15 6 0.0928 0.8108 0.1333 16 7 0.529 0.6294 0.1873 17 7 0.3706 0.8996 0.1873 18 2 0.6667 0.3333 0.25 19 4 0.9305 0.6624 0.1133 20 5 0.9179 0.6079 0.0 21 6 0.8108 0.718 0.1333 22 7 0.8996 0.529 0.1873 23 4 0.3376 0.2681 0.1133 24 4 0.7319 0.0695 0.1133 25 5 0.3921 0.31 0.0 26 5 0.69 0.0821 0.0 27 6 0.282 0.0928 0.1333 28 6 0.9072 0.1892 0.1333 29 7 0.471 0.3706 0.1873 30 7 0.6294 0.1004 0.1873 31 1 0.0 0.0 0.75 32 2 0.3333 0.6667 0.75 33 3 0.0 0.5 0.75 34 4 0.0695 0.7319 0.6133 35 5 0.0821 0.69 0.5 36 6 0.1892 0.9072 0.6333 37 7 0.1004 0.6294 0.6873 38 3 0.5 0.0 0.75 39 3 0.5 0.5 0.75 40 4 0.6624 0.9305 0.6133 41 4 0.2681 0.3376 0.6133 42 5 0.6079 0.9179 0.5 43 5 0.31 0.3921 0.5 44 6 0.718 0.8108 0.6333 45 6 0.0928 0.282 0.6333 46 7 0.529 0.8996 0.6873 47 7 0.3706 0.471 0.6873 48 2 0.6667 0.3333 0.75 49 4 0.9305 0.2681 0.6133 50 5 0.9179 0.31 0.5 51 6 0.8108 0.0928 0.6333 52 7 0.8996 0.3706 0.6873 53 4 0.3376 0.0695 0.6133 54 4 0.7319 0.6624 0.6133 55 5 0.3921 0.0821 0.5 56 5 0.69 0.6079 0.5 57 6 0.282 0.1892 0.6333 58 6 0.9072 0.718 0.6333 59 7 0.471 0.1004 0.6873 60 7 0.6294 0.529 0.6873 61 4 0.0695 0.3376 0.8867 62 6 0.1892 0.282 0.8667 63 7 0.1004 0.471 0.8127 64 4 0.6624 0.7319 0.8867 65 4 0.2681 0.9305 0.8867 66 6 0.718 0.9072 0.8667 67 6 0.0928 0.8108 0.8667 68 7 0.529 0.6294 0.8127 69 7 0.3706 0.8996 0.8127 70 4 0.9305 0.6624 0.8867 71 6 0.8108 0.718 0.8667 72 7 0.8996 0.529 0.8127 73 4 0.3376 0.2681 0.8867 74 4 0.7319 0.0695 0.8867 75 6 0.282 0.0928 0.8667 76 6 0.9072 0.1892 0.8667 77 7 0.471 0.3706 0.8127 78 7 0.6294 0.1004 0.8127 79 4 0.0695 0.7319 0.3867 80 6 0.1892 0.9072 0.3667 81 7 0.1004 0.6294 0.3127 82 4 0.6624 0.9305 0.3867 83 4 0.2681 0.3376 0.3867 84 6 0.718 0.8108 0.3667 85 6 0.0928 0.282 0.3667 86 7 0.529 0.8996 0.3127 87 7 0.3706 0.471 0.3127 88 4 0.9305 0.2681 0.3867 89 6 0.8108 0.0928 0.3667 90 7 0.8996 0.3706 0.3127 91 4 0.3376 0.0695 0.3867 92 4 0.7319 0.6624 0.3867 93 6 0.282 0.1892 0.3667 94 6 0.9072 0.718 0.3667 95 7 0.471 0.1004 0.3127 96 7 0.6294 0.529 0.3127 X-ray density (g/cm cub.) = 2.53 MU (1/cm) = 89.476 Mass attenuation coefficient (cm**2/g) = 35.309 Selected interatomic distances (cation-anion,anion-anion): NoP Atom Rad.sph. C.N. Distance NoP N. (angs.) (angs.) 1 K 3.228 12 2.9955 6 2.9955 6 2.9955 6 2.9955 6 2.9955 6 2.9955 6 2.9955 6 2.9955 6 2.9955 6 2.9955 6 2.9955 6 2.9955 6 2 Na 2.808 6 2.3746 7 2.3747 7 2.3745 7 2.3745 7 2.3746 7 2.3746 7 3 B 1.872 4 1.4714 7 1.4714 7 1.4714 7 1.4714 7 4 Si 2.1 4 1.6098 5 1.6112 6 1.5901 7 1.6182 6 5 O 3.264 6 2.6345 6 2.6298 7 2.6522 6 2.6345 6 2.6298 7 2.6522 6 6 O 3.264 7 2.6345 5 2.6194 7 2.6521 5 2.5487 6 2.5489 6 2.6572 7 3.0746 7 7 O 3.264 8 2.6298 5 2.6194 6 2.4085 7 2.6573 6 2.3431 7 3.0745 6 3.2425 7 2.4556 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 1 0 0 4.983 9.967 0.056 262.06 6 35.9 135.1 2 0 0 2 6.56 13.12 0.074 150.28 2 114.3 262.1 3 1 0 2 8.251 16.503 0.093 94.16 12 19.2 27.9 4 1 1 0 8.654 17.307 0.098 85.41 6 176.8 1069.0 5 2 0 0 10.005 20.01 0.113 63.34 6 41.9 44.6 6 1 1 2 10.89 21.779 0.123 53.14 12 89.4 340.2 7 2 0 2 12.001 24.002 0.135 43.38 12 83.4 241.5 8 0 0 4 13.208 26.416 0.148 35.46 2 242.1 277.3 9 2 1 0 13.287 26.574 0.149 35.01 12 8.3 1.9 10 2 1 1 13.699 27.398 0.154 32.82 24 134.9 956.2 11 1 0 4 14.149 28.298 0.159 30.64 12 73.2 131.4 12 2 1 2 14.872 29.744 0.167 27.55 24 10.6 4.9 13 3 0 0 15.106 30.212 0.169 26.64 6 182.0 353.1 14 1 1 4 15.877 31.754 0.178 23.93 12 176.1 594.1 15 3 0 2 16.532 33.063 0.185 21.93 12 9.7 1.6 16 2 1 3 16.66 33.319 0.186 21.57 24 61.0 128.7 17 2 0 4 16.681 33.361 0.186 21.51 12 147.6 375.2 18 2 2 0 17.513 35.026 0.195 19.35 6 71.2 39.3 19 3 1 0 18.253 36.505 0.203 17.67 12 86.0 104.6 20 3 1 1 18.565 37.129 0.207 17.02 24 57.0 88.6 21 2 2 2 18.776 37.553 0.209 16.6 12 79.7 84.5 22 2 1 4 18.91 37.82 0.21 16.34 24 33.9 30.1 23 3 1 2 19.475 38.95 0.216 15.31 24 15.0 5.5 24 0 0 6 20.043 40.086 0.222 14.37 2 21.3 0.9 25 3 0 4 20.278 40.557 0.225 14.0 12 10.8 1.3 26 4 0 0 20.333 40.666 0.226 13.91 6 35.0 6.8 27 1 0 6 20.706 41.411 0.23 13.36 12 32.6 11.4 28 3 1 3 20.917 41.835 0.232 13.06 24 40.2 33.8 29 4 0 2 21.455 42.91 0.237 12.34 12 19.5 3.7 30 2 1 5 21.506 43.012 0.238 12.27 24 22.8 10.2 31 1 1 6 21.981 43.962 0.243 11.69 12 58.6 32.1 32 2 2 4 22.2 44.399 0.245 11.43 12 16.5 2.5 33 3 2 0 22.25 44.5 0.246 11.37 12 7.8 0.6 34 3 2 1 22.516 45.031 0.249 11.07 24 81.3 117.2 35 2 0 6 22.597 45.194 0.249 10.98 12 18.7 3.1 36 3 1 4 22.811 45.622 0.252 10.75 24 68.9 81.7 37 3 2 2 23.298 46.595 0.257 10.25 24 29.0 13.8 38 4 1 0 23.458 46.916 0.258 10.09 12 70.9 40.6 39 4 1 1 23.713 47.426 0.261 9.84 24 36.0 20.4 40 2 1 6 24.372 48.744 0.268 9.25 24 3.7 0.2 41 4 1 2 24.466 48.931 0.269 9.17 24 85.8 108.2 42 3 2 3 24.558 49.117 0.27 9.09 24 51.3 38.2 43 4 0 4 24.574 49.147 0.27 9.08 12 12.3 1.1 44 3 1 5 25.079 50.159 0.275 8.67 24 113.1 177.4 45 3 0 6 25.503 51.005 0.279 8.34 12 87.8 51.5 46 4 1 3 25.683 51.367 0.281 8.21 24 12.7 2.1 47 5 0 0 25.743 51.487 0.282 8.17 6 179.8 105.6 48 3 2 4 26.247 52.494 0.287 7.81 24 15.7 3.1 49 5 0 2 26.687 53.374 0.292 7.52 12 6.6 0.3 50 3 3 0 26.832 53.665 0.293 7.43 6 18.8 1.1 51 2 2 6 27.135 54.27 0.296 7.24 12 77.3 34.6 52 0 0 8 27.192 54.384 0.297 7.21 2 275.4 73.0 53 4 1 4 27.322 54.644 0.298 7.13 24 91.8 96.2 54 4 2 0 27.365 54.731 0.298 7.11 12 49.0 13.7 55 2 1 7 27.464 54.929 0.299 7.05 24 13.4 2.0 56 4 2 1 27.594 55.187 0.301 6.97 24 113.6 144.1 57 3 1 6 27.664 55.328 0.301 6.93 24 15.3 2.6 58 1 0 8 27.72 55.44 0.302 6.9 12 74.1 30.4 59 3 3 2 27.75 55.5 0.302 6.88 12 36.5 7.3 60 4 2 2 28.271 56.543 0.307 6.6 24 33.1 11.6 61 3 2 5 28.313 56.626 0.308 6.58 24 30.3 9.7 62 1 1 8 28.757 57.515 0.312 6.35 12 55.0 15.4 63 5 1 0 28.925 57.85 0.314 6.27 12 32.8 5.4 64 5 1 1 29.145 58.29 0.316 6.16 24 27.5 7.5 65 4 0 6 29.213 58.426 0.317 6.13 12 67.8 22.5 66 2 0 8 29.267 58.534 0.317 6.1 12 96.4 45.4 67 4 1 5 29.336 58.673 0.318 6.07 24 64.0 39.8 68 4 2 3 29.378 58.756 0.318 6.05 24 56.3 30.7 69 5 0 4 29.391 58.783 0.319 6.05 12 113.4 62.2 70 5 1 2 29.8 59.6 0.323 5.86 24 15.4 2.2 71 3 3 4 30.392 60.784 0.328 5.61 12 63.0 17.8 72 3 1 7 30.525 61.05 0.33 5.55 24 11.1 1.1 73 3 2 6 30.712 61.424 0.332 5.48 24 35.8 11.3 74 2 1 8 30.765 61.529 0.332 5.46 24 2.1 0.0 75 5 1 3 30.872 61.744 0.333 5.42 24 37.5 12.2 76 4 2 4 30.885 61.77 0.333 5.41 24 2.3 0.0 77 6 0 0 31.413 62.827 0.338 5.21 6 22.3 1.0 78 4 1 6 31.688 63.376 0.341 5.11 24 9.5 0.7 79 3 0 8 31.739 63.479 0.341 5.1 12 146.1 87.1 80 4 3 0 31.897 63.795 0.343 5.04 12 10.2 0.4 81 4 3 1 32.105 64.211 0.345 4.97 24 54.2 23.3 82 6 0 2 32.248 64.496 0.346 4.92 12 71.6 20.2 83 5 1 4 32.338 64.676 0.347 4.89 24 7.4 0.4 84 4 3 2 32.725 65.45 0.351 4.77 24 44.8 15.3 85 4 2 5 32.763 65.526 0.351 4.76 24 117.2 104.6 86 5 2 0 32.853 65.707 0.352 4.73 12 127.1 61.1 87 5 2 1 33.058 66.116 0.354 4.67 24 43.1 13.9 88 2 2 8 33.172 66.344 0.355 4.63 12 89.4 29.6 89 3 2 7 33.414 66.828 0.357 4.56 24 41.1 12.4 90 5 0 6 33.592 67.184 0.359 4.51 12 3.0 0.0 91 3 1 8 33.642 67.284 0.36 4.5 24 43.5 13.6 92 5 2 2 33.669 67.337 0.36 4.49 24 20.0 2.9 93 4 3 3 33.745 67.489 0.361 4.47 24 41.3 12.2 94 5 1 5 34.173 68.346 0.365 4.35 24 3.0 0.1 95 2 1 9 34.272 68.545 0.366 4.33 24 75.2 39.1 96 4 1 7 34.348 68.697 0.366 4.31 24 64.0 28.2 97 3 3 6 34.524 69.048 0.368 4.26 12 60.4 12.5 98 5 2 3 34.674 69.349 0.369 4.22 24 20.4 2.8 99 6 0 4 34.687 69.374 0.369 4.22 12 97.3 32.0 100 6 1 0 34.725 69.449 0.37 4.21 12 86.2 25.1 101 0 0 10 34.835 69.67 0.371 4.18 2 126.0 8.9 102 6 1 1 34.924 69.848 0.372 4.16 24 102.8 70.4 103 4 2 6 34.986 69.971 0.372 4.15 24 43.8 12.7 104 4 0 8 35.035 70.069 0.373 4.14 12 37.0 4.5 105 4 3 4 35.147 70.295 0.374 4.11 24 23.2 3.6 106 1 0 10 35.295 70.589 0.375 4.08 12 25.9 2.2 107 6 1 2 35.519 71.038 0.377 4.02 24 25.2 4.1 108 5 2 4 36.061 72.122 0.382 3.91 24 66.1 27.3 109 1 1 10 36.206 72.413 0.383 3.88 12 104.9 34.1 110 5 1 6 36.355 72.709 0.385 3.85 24 7.9 0.4 111 3 2 8 36.403 72.806 0.385 3.84 24 17.4 1.9 112 6 1 3 36.502 73.004 0.386 3.82 24 85.7 44.9 113 2 0 10 36.659 73.318 0.388 3.79 12 13.3 0.5 114 4 3 5 36.916 73.832 0.39 3.74 24 43.0 11.1 115 4 4 0 37.002 74.004 0.391 3.72 6 26.7 1.1 116 3 1 9 37.012 74.025 0.391 3.72 24 118.1 83.0 117 4 1 8 37.304 74.608 0.393 3.66 24 21.5 2.7 118 5 3 0 37.451 74.901 0.395 3.64 12 76.7 17.1 119 7 0 0 37.451 74.901 0.395 3.64 6 93.8 12.8 120 4 2 7 37.534 75.069 0.395 3.62 24 55.8 18.1 121 5 3 1 37.644 75.288 0.396 3.6 24 4.8 0.1 122 4 4 2 37.777 75.554 0.398 3.58 12 35.6 3.6 123 5 2 5 37.813 75.625 0.398 3.58 24 12.6 0.9 124 6 1 4 37.861 75.722 0.398 3.57 24 40.4 9.3 125 2 1 10 38.004 76.008 0.4 3.54 24 18.9 2.0 126 5 3 2 38.222 76.445 0.402 3.51 24 0.7 0.0 127 7 0 2 38.222 76.445 0.402 3.51 12 6.5 0.1 128 6 0 6 38.594 77.188 0.405 3.45 12 53.8 8.0 129 6 2 0 38.786 77.572 0.407 3.42 12 70.2 13.5 130 5 1 7 38.869 77.738 0.407 3.41 24 37.0 7.5 131 3 0 10 38.892 77.784 0.408 3.41 12 41.4 4.7 132 6 2 1 38.977 77.955 0.408 3.39 24 66.5 24.0 133 4 3 6 39.036 78.073 0.409 3.38 24 2.2 0.0 134 5 0 8 39.084 78.167 0.409 3.38 12 73.9 14.8 135 5 3 3 39.18 78.36 0.41 3.36 24 3.6 0.1 136 6 2 2 39.55 79.099 0.413 3.31 24 35.0 6.5 137 6 1 5 39.585 79.17 0.414 3.31 24 136.0 98.0 138 3 2 9 39.679 79.358 0.414 3.3 24 20.4 2.2 139 5 2 6 39.918 79.835 0.417 3.27 24 92.1 44.3 140 3 3 8 39.964 79.929 0.417 3.26 12 30.6 2.4 141 4 4 4 40.072 80.144 0.418 3.25 12 168.8 74.1 142 2 2 10 40.213 80.426 0.419 3.23 12 93.0 22.4 143 4 2 8 40.403 80.806 0.421 3.21 24 85.6 37.6 144 6 2 3 40.499 80.997 0.422 3.19 24 89.2 40.7 145 5 3 4 40.51 81.021 0.422 3.19 24 36.2 6.7 146 7 0 4 40.51 81.021 0.422 3.19 12 52.6 7.1 147 4 1 9 40.557 81.113 0.422 3.19 24 39.3 7.9 148 3 1 10 40.651 81.302 0.423 3.18 24 9.9 0.5 149 7 1 0 40.983 81.967 0.426 3.14 12 30.0 2.3 150 7 1 1 41.172 82.344 0.427 3.12 24 11.3 0.6 151 4 3 7 41.501 83.002 0.43 3.09 24 11.6 0.7 152 6 1 6 41.666 83.332 0.432 3.07 24 4.9 0.1 153 5 1 8 41.713 83.425 0.432 3.07 24 23.1 2.6 154 7 1 2 41.737 83.475 0.432 3.06 24 14.4 1.0 155 6 2 4 41.819 83.639 0.433 3.06 24 21.4 2.2 156 4 0 10 41.959 83.918 0.434 3.04 12 44.2 4.8 157 2 1 11 41.994 83.987 0.434 3.04 24 65.0 20.5 158 5 3 5 42.207 84.414 0.436 3.02 24 8.2 0.3 159 5 2 7 42.371 84.742 0.437 3.01 24 34.9 5.9 160 7 1 3 42.676 85.353 0.44 2.98 24 36.8 6.5 161 5 4 0 42.724 85.447 0.44 2.98 12 42.7 4.4 162 5 4 1 42.911 85.822 0.442 2.96 24 13.3 0.8 163 3 2 10 43.261 86.521 0.445 2.93 24 42.8 8.6 164 0 0 12 43.271 86.543 0.445 2.93 2 79.2 2.5 165 5 4 2 43.473 86.946 0.447 2.92 24 15.6 1.1 166 6 2 5 43.508 87.015 0.447 2.92 24 40.9 7.8 167 6 3 0 43.59 87.18 0.448 2.91 12 1.4 0.0 168 4 2 9 43.6 87.201 0.448 2.91 24 117.9 64.8 169 1 0 12 43.704 87.409 0.448 2.9 12 26.0 1.6 170 6 3 1 43.777 87.554 0.449 2.9 24 38.3 6.8 171 4 4 6 43.835 87.67 0.45 2.89 12 1.6 0.0 172 6 0 8 43.881 87.763 0.45 2.89 12 2.3 0.0 173 7 1 4 43.987 87.975 0.451 2.89 24 48.8 11.0 174 8 0 0 44.023 88.046 0.451 2.88 6 20.1 0.5 175 6 1 7 44.104 88.208 0.452 2.88 24 61.6 17.5 176 4 1 10 44.126 88.252 0.452 2.88 24 31.4 4.5 177 5 3 6 44.268 88.535 0.453 2.87 24 7.0 0.2 178 7 0 6 44.268 88.535 0.453 2.87 12 8.8 0.2 179 4 3 8 44.314 88.628 0.453 2.87 24 62.6 18.0 180 6 3 2 44.338 88.677 0.454 2.86 24 73.4 24.7 181 5 4 3 44.408 88.817 0.454 2.86 24 2.9 0.0 182 1 1 12 44.57 89.139 0.456 2.85 12 82.7 15.6 183 3 1 11 44.593 89.187 0.456 2.85 24 21.5 2.1 184 8 0 2 44.771 89.542 0.457 2.84 12 50.4 5.8 185 5 1 9 44.898 89.796 0.458 2.83 24 28.9 3.8 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 0 0 4.983 9.967 8.86723 135.1 12.6 12.7 5.6 2 0 0 2 6.56 13.12 6.7425 262.1 24.5 24.6 5.6 3 1 0 2 8.251 16.503 5.36713 27.9 2.6 2.6 5.6 4 1 1 0 8.654 17.307 5.1195 1069.0 100.0 100.0 5.6 5 2 0 0 10.005 20.01 4.43362 44.6 4.2 4.2 5.6 6 1 1 2 10.89 21.779 4.07735 340.2 31.8 31.7 5.6 7 2 0 2 12.001 24.002 3.70448 241.5 22.6 22.5 5.6 8 0 0 4 13.208 26.416 3.37125 277.3 25.9 25.8 5.6 9 2 1 1 13.699 27.398 3.25255 956.2 89.4 88.8 5.6 10 1 0 4 14.149 28.298 3.15119 131.4 12.3 12.2 5.6 11 3 0 0 15.106 30.212 2.95574 353.1 33.0 32.7 5.6 12 1 1 4 15.877 31.754 2.8156 594.1 55.6 55.0 5.6 13 2 0 4 16.681 33.361 2.68357 503.9 47.1 46.6 5.7 14 2 2 0 17.513 35.026 2.55975 39.3 3.7 3.6 5.7 15 3 1 0 18.253 36.505 2.45933 104.6 9.8 9.6 5.7 16 3 1 1 18.565 37.129 2.41942 88.6 8.3 8.2 5.7 17 2 2 2 18.776 37.553 2.3931 84.5 7.9 7.8 5.7 18 2 1 4 18.91 37.82 2.37682 30.1 2.8 2.8 5.7 19 1 0 6 20.706 41.411 2.17861 11.4 1.1 1.0 5.7 20 3 1 3 20.917 41.835 2.15752 33.8 3.2 3.1 5.7 21 1 1 6 21.981 43.962 2.05792 32.1 3.0 2.9 5.7 22 3 2 1 22.516 45.031 2.01152 117.2 11.0 10.7 5.7 23 3 1 4 22.811 45.622 1.98684 81.7 7.6 7.5 5.7 24 3 2 2 23.298 46.595 1.94757 13.8 1.3 1.3 5.7 25 4 1 0 23.458 46.916 1.93499 40.6 3.8 3.7 5.7 26 4 1 1 23.713 47.426 1.91537 20.4 1.9 1.9 5.7 27 4 1 2 24.466 48.931 1.85991 108.2 10.1 9.8 5.7 28 3 2 3 24.558 49.117 1.85332 39.3 3.7 3.6 5.7 29 3 1 5 25.079 50.159 1.81723 177.4 16.6 16.1 5.7 30 3 0 6 25.503 51.005 1.78904 51.5 4.8 4.7 5.8 31 5 0 0 25.743 51.487 1.77345 105.6 9.9 9.6 5.8 32 2 2 6 27.135 54.27 1.68889 34.6 3.2 3.1 5.8 33 0 0 8 27.192 54.384 1.68562 73.0 6.8 6.6 5.8 34 4 1 4 27.322 54.644 1.6782 96.2 9.0 8.7 5.8 35 4 2 0 27.365 54.731 1.67575 13.7 1.3 1.2 5.8 36 4 2 1 27.594 55.187 1.66296 144.1 13.5 13.0 5.8 37 1 0 8 27.72 55.44 1.65597 30.4 2.8 2.7 5.8 38 4 2 2 28.271 56.543 1.62627 11.6 1.1 1.0 5.8 39 1 1 8 28.757 57.515 1.60107 15.4 1.4 1.4 5.8 40 4 0 6 29.213 58.426 1.57826 22.5 2.1 2.0 5.8 41 2 0 8 29.267 58.534 1.57559 45.4 4.2 4.1 5.8 42 4 1 5 29.336 58.673 1.5722 39.8 3.7 3.6 5.8 43 5 0 4 29.391 58.783 1.56953 93.0 8.7 8.3 5.8 44 3 3 4 30.392 60.784 1.52255 17.8 1.7 1.6 5.8 45 3 2 6 30.712 61.424 1.50822 11.3 1.1 1.0 5.8 46 5 1 3 30.872 61.744 1.50116 12.2 1.1 1.1 5.8 47 3 0 8 31.739 63.479 1.46425 87.1 8.1 7.8 5.9 48 4 3 1 32.105 64.211 1.44932 23.3 2.2 2.1 5.9 49 6 0 2 32.248 64.496 1.4436 20.2 1.9 1.8 5.9 50 4 3 2 32.725 65.45 1.42484 15.3 1.4 1.4 5.9 51 4 2 5 32.763 65.526 1.42337 104.6 9.8 9.3 5.9 52 5 2 0 32.853 65.707 1.41989 61.1 5.7 5.4 5.9 53 5 2 1 33.058 66.116 1.41209 13.9 1.3 1.2 5.9 54 2 2 8 33.172 66.344 1.4078 29.6 2.8 2.6 5.9 55 3 2 7 33.414 66.828 1.39877 12.4 1.2 1.1 5.9 56 3 1 8 33.642 67.284 1.39039 16.5 1.5 1.5 5.9 57 4 3 3 33.745 67.489 1.38667 12.2 1.1 1.1 5.9 58 2 1 9 34.272 68.545 1.36786 39.1 3.7 3.5 5.9 59 4 1 7 34.348 68.697 1.36521 28.2 2.6 2.5 5.9 60 3 3 6 34.524 69.048 1.35912 12.5 1.2 1.1 5.9 61 6 0 4 34.687 69.374 1.35353 34.8 3.3 3.1 5.9 62 6 1 0 34.725 69.449 1.35224 25.1 2.3 2.2 5.9 63 6 1 1 34.924 69.848 1.34549 70.4 6.6 6.2 5.9 64 4 2 6 34.986 69.971 1.34343 12.7 1.2 1.1 5.9 65 5 2 4 36.061 72.122 1.30857 27.3 2.6 2.4 5.9 66 1 1 10 36.206 72.413 1.30402 34.1 3.2 3.0 5.9 67 6 1 3 36.502 73.004 1.29491 44.9 4.2 3.9 6.0 68 4 3 5 36.916 73.832 1.28242 11.1 1.0 1.0 6.0 69 3 1 9 37.012 74.025 1.27956 84.1 7.9 7.4 6.0 70 5 3 0 37.451 74.901 1.26675 30.0 2.8 2.6 6.0 71 4 2 7 37.534 75.069 1.26434 18.1 1.7 1.6 6.0 72 6 2 0 38.786 77.572 1.22966 13.5 1.3 1.2 6.0 73 5 1 7 38.869 77.738 1.22746 12.1 1.1 1.1 6.0 74 6 2 1 38.977 77.955 1.22458 24.0 2.2 2.1 6.0 75 5 0 8 39.084 78.167 1.22178 14.8 1.4 1.3 6.0 76 6 1 5 39.585 79.17 1.20881 98.0 9.2 8.5 6.0 77 5 2 6 39.918 79.835 1.2004 44.3 4.1 3.8 6.0 78 4 4 4 40.072 80.144 1.19655 74.1 6.9 6.4 6.0 79 2 2 10 40.213 80.426 1.19307 22.4 2.1 1.9 6.0 80 4 2 8 40.403 80.806 1.18841 37.6 3.5 3.2 6.1 81 6 2 3 40.499 80.997 1.18608 54.5 5.1 4.7 6.1 82 2 1 11 41.994 83.987 1.15131 20.5 1.9 1.8 6.1 83 3 2 10 43.261 86.521 1.12398 11.1 1.0 0.9 6.1 84 4 2 9 43.6 87.201 1.11696 64.8 6.1 5.5 6.2 85 7 1 4 43.987 87.975 1.10911 11.0 1.0 0.9 6.2 86 6 1 7 44.104 88.208 1.10679 22.0 2.1 1.9 6.2 87 6 3 2 44.338 88.677 1.10214 42.7 4.0 3.6 6.2 88 1 1 12 44.57 89.139 1.09762 17.7 1.7 1.5 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) |