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 *** *********************** MILARITE 7, td-osumilite, Zn-Mn-analogue, DN K[K(0.58),Na(0.42)](2)Zn(3)Mn(1.5)[Si(12)O(30)] Hexagonal P 6cc Z = 2 R =0.069 NR =598 22 .12 .1993 Ref.Str.: Nadezhina T.N., Sokolova Ye.V., Belakovsky D.I. (1990) * Dokl. Akad. Nauk SSSR, 313, 4, 865-868 Reserv: R = R(hkl). D.T.N. Initial data from BDM-file Lattice parameters (cub. angs.,degr.): a = 10.525 alpha = 90.0 b = 10.525 beta = 90.0 c = 14.218 gamma = 120.0 Unit cell volume (cub. angs.) = 1364.0 Molar volume ( cub.cm/mol.) = 410.79 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 1.3 K = 1.00 2 0.3333 0.6666 0.997 1.6 K = 0.58, Na = 0.42 3 0.3333 0.6666 0.2536 1.2 Mn = 0.75, Mn = 0.0 4 0.5 0.0 0.25 0.7 Zn = 1.00 5 0.3366 0.2394 0.3915 0.3 Si = 1.00 6 0.3284 0.0963 0.1166 0.4 Si = 1.00 7 0.212 0.276 0.362 1.0 O = 1.00 8 0.343 0.483 0.168 0.6 O = 1.00 9 0.138 0.481 0.335 0.9 O = 1.00 10 0.2562 0.3659 0.001 1.0 O = 1.00 11 0.067 0.264 0.14 0.8 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 0.6666 0.997 3 3 0.3333 0.6666 0.2536 4 4 0.5 0.0 0.25 5 5 0.3366 0.2394 0.3915 6 6 0.3284 0.0963 0.1166 7 7 0.212 0.276 0.362 8 8 0.343 0.483 0.168 9 9 0.138 0.481 0.335 10 10 0.2562 0.3659 0.001 11 11 0.067 0.264 0.14 12 4 0.0 0.5 0.25 13 4 0.5 0.5 0.25 14 5 0.7606 0.0972 0.3915 15 5 0.9028 0.6634 0.3915 16 6 0.9037 0.2321 0.1166 17 6 0.7679 0.6716 0.1166 18 7 0.724 0.936 0.362 19 7 0.064 0.788 0.362 20 8 0.517 0.86 0.168 21 8 0.14 0.657 0.168 22 9 0.519 0.657 0.335 23 9 0.343 0.862 0.335 24 10 0.6341 0.8903 0.001 25 10 0.1097 0.7438 0.001 26 11 0.736 0.803 0.14 27 11 0.197 0.933 0.14 28 2 0.6667 0.3334 0.997 29 3 0.6667 0.3334 0.2536 30 5 0.6634 0.7606 0.3915 31 6 0.6716 0.9037 0.1166 32 7 0.788 0.724 0.362 33 8 0.657 0.517 0.168 34 9 0.862 0.519 0.335 35 10 0.7438 0.6341 0.001 36 11 0.933 0.736 0.14 37 5 0.2394 0.9028 0.3915 38 5 0.0972 0.3366 0.3915 39 6 0.0963 0.7679 0.1166 40 6 0.2321 0.3284 0.1166 41 7 0.276 0.064 0.362 42 7 0.936 0.212 0.362 43 8 0.483 0.14 0.168 44 8 0.86 0.343 0.168 45 9 0.481 0.343 0.335 46 9 0.657 0.138 0.335 47 10 0.3659 0.1097 0.001 48 10 0.8903 0.2562 0.001 49 11 0.264 0.197 0.14 50 11 0.803 0.067 0.14 51 1 0.0 0.0 0.75 52 2 0.3333 0.6667 0.497 53 3 0.3333 0.6667 0.7536 54 4 0.5 0.5 0.75 55 5 0.3366 0.0972 0.8915 56 6 0.3284 0.2321 0.6166 57 7 0.212 0.936 0.862 58 8 0.343 0.86 0.668 59 9 0.138 0.657 0.835 60 10 0.2562 0.8903 0.501 61 11 0.067 0.803 0.64 62 4 0.0 0.5 0.75 63 4 0.5 0.0 0.75 64 5 0.7606 0.6634 0.8915 65 5 0.9028 0.2394 0.8915 66 6 0.9037 0.6716 0.6166 67 6 0.7679 0.0963 0.6166 68 7 0.724 0.788 0.862 69 7 0.064 0.276 0.862 70 8 0.517 0.657 0.668 71 8 0.14 0.483 0.668 72 9 0.519 0.862 0.835 73 9 0.343 0.481 0.835 74 10 0.6341 0.7438 0.501 75 10 0.1097 0.3659 0.501 76 11 0.736 0.933 0.64 77 11 0.197 0.264 0.64 78 2 0.6667 0.3333 0.497 79 3 0.6667 0.3333 0.7536 80 5 0.6634 0.9028 0.8915 81 6 0.6716 0.7679 0.6166 82 7 0.788 0.064 0.862 83 8 0.657 0.14 0.668 84 9 0.862 0.343 0.835 85 10 0.7438 0.1097 0.501 86 11 0.933 0.197 0.64 87 5 0.2394 0.3366 0.8915 88 5 0.0972 0.7606 0.8915 89 6 0.0963 0.3284 0.6166 90 6 0.2321 0.9037 0.6166 91 7 0.276 0.212 0.862 92 7 0.936 0.724 0.862 93 8 0.483 0.343 0.668 94 8 0.86 0.517 0.668 95 9 0.481 0.138 0.835 96 9 0.657 0.519 0.835 97 10 0.3659 0.2562 0.501 98 10 0.8903 0.6341 0.501 99 11 0.264 0.067 0.64 100 11 0.803 0.736 0.64 X-ray density (g/cm cub.) = 2.92 MU (1/cm) = 179.911 Mass attenuation coefficient (cm**2/g) = 61.631 Selected interatomic distances (cation-anion,anion-anion): NoP Atom Rad.sph. C.N. Distance NoP N. (angs.) (angs.) 1 K 3.228 12 3.0775 7 2.9503 11 3.0775 7 3.0776 7 2.9504 11 2.9504 11 3.0775 7 2.9503 11 3.0775 7 3.0776 7 2.9504 11 2.9504 11 2 K ,Na 3.228 9 3.1389 8 2.8478 10 3.1396 8 3.1392 8 2.8488 10 2.8484 10 3.055 9 3.0554 9 3.0546 9 3 Mn ,Mn 2.724 6 2.3287 8 2.3163 9 2.3296 8 2.3291 8 2.3168 9 2.3172 9 4 Zn 2.628 4 1.9561 8 1.9749 9 1.9561 8 1.9749 9 5 Si 2.1 4 1.5967 7 1.6772 7 1.577 9 1.5798 10 6 Si 2.1 4 1.6125 11 1.6263 8 1.6797 10 1.5531 11 7 O 3.264 6 2.6627 9 2.6334 7 2.6336 7 2.5814 9 2.6418 10 2.6288 10 8 O 3.264 6 3.2013 9 2.6202 10 2.6859 11 3.0051 9 3.1413 8 2.7217 11 9 O 3.264 6 2.6627 7 3.2013 8 3.0051 8 3.1241 9 2.5815 7 2.6011 10 10 O 3.264 6 2.6202 8 2.6241 11 2.6867 11 2.6417 7 2.6012 9 2.6289 7 11 O 3.264 6 2.6859 8 2.6241 10 2.7219 8 2.6868 10 2.5016 11 2.5018 11 X-ray diffraction powder data (II), X-Ray W.L. = 1.54056(angs.): No H K L Theta 2*Theta S LPG MF F I int. ( degree ) *100 1 1 0 0 4.848 9.695 0.055 277.07 6 26.3 61.8 2 0 0 2 6.22 12.441 0.07 167.39 2 191.8 662.0 3 1 0 2 7.898 15.796 0.089 102.97 12 49.0 159.2 4 1 1 0 8.417 16.833 0.095 90.41 6 94.4 259.8 5 2 0 0 9.731 19.461 0.11 67.09 6 48.4 50.7 6 1 1 2 10.493 20.986 0.118 57.4 12 31.4 36.6 7 2 0 2 11.582 23.163 0.13 46.73 12 218.0 1432.6 8 0 0 4 12.516 25.031 0.141 39.72 2 117.5 59.0 9 2 1 0 12.92 25.84 0.145 37.15 12 50.7 61.6 10 2 1 1 13.3 26.601 0.149 34.94 24 139.1 872.5 11 1 0 4 13.45 26.9 0.151 34.12 12 132.9 388.6 12 2 1 2 14.386 28.772 0.161 29.57 24 41.2 64.9 13 3 0 0 14.686 29.372 0.165 28.3 6 96.5 84.9 14 1 1 4 15.16 30.319 0.17 26.44 12 190.8 620.9 15 2 0 4 15.951 31.903 0.178 23.69 12 222.4 755.8 16 3 0 2 16.004 32.008 0.179 23.53 12 49.6 37.3 17 2 1 3 16.046 32.093 0.179 23.39 24 73.4 162.8 18 2 2 0 17.022 34.044 0.19 20.58 6 316.9 666.4 19 3 1 0 17.74 35.48 0.198 18.81 12 42.7 22.2 20 3 1 1 18.028 36.055 0.201 18.16 24 80.5 151.8 21 2 1 4 18.142 36.284 0.202 17.91 24 42.0 40.7 22 2 2 2 18.189 36.378 0.203 17.81 12 110.6 140.5 23 3 1 2 18.868 37.736 0.21 16.42 24 18.6 7.3 24 0 0 6 18.969 37.938 0.211 16.23 2 20.6 0.7 25 3 0 4 19.483 38.965 0.216 15.3 12 70.1 48.4 26 1 0 6 19.625 39.25 0.218 15.06 12 6.9 0.5 27 4 0 0 19.757 39.514 0.219 14.83 6 83.9 33.7 28 3 1 3 20.202 40.404 0.224 14.12 24 68.2 84.8 29 2 1 5 20.563 41.126 0.228 13.57 24 9.9 1.7 30 4 0 2 20.792 41.583 0.23 13.24 12 160.5 219.9 31 1 1 6 20.885 41.77 0.231 13.11 12 13.7 1.6 32 2 2 4 21.36 42.72 0.236 12.46 12 189.6 288.9 33 2 0 6 21.492 42.984 0.238 12.29 12 129.9 133.8 34 3 2 0 21.615 43.229 0.239 12.14 12 82.3 53.0 35 3 2 1 21.859 43.718 0.242 11.83 24 6.7 0.7 36 3 1 4 21.956 43.913 0.243 11.71 24 138.1 288.4 37 3 2 2 22.58 45.159 0.249 11.0 24 19.2 5.2 38 4 1 0 22.784 45.569 0.251 10.78 12 102.1 72.5 39 4 1 1 23.019 46.038 0.254 10.53 24 52.8 37.9 40 2 1 6 23.237 46.473 0.256 10.31 24 30.4 12.3 41 4 0 4 23.674 47.348 0.261 9.88 12 76.3 37.1 42 4 1 2 23.712 47.423 0.261 9.85 24 27.4 9.5 43 3 2 3 23.742 47.484 0.261 9.82 24 5.1 0.3 44 3 1 5 24.06 48.121 0.265 9.52 24 108.4 144.4 45 3 0 6 24.345 48.69 0.268 9.27 12 29.8 5.3 46 4 1 3 24.834 49.667 0.273 8.86 24 18.8 4.1 47 5 0 0 24.995 49.99 0.274 8.73 6 192.0 103.8 48 3 2 4 25.301 50.602 0.277 8.5 24 59.6 38.9 49 0 0 8 25.684 51.368 0.281 8.21 2 448.7 177.7 50 5 0 2 25.862 51.725 0.283 8.08 12 22.2 2.6 51 2 2 6 25.941 51.882 0.284 8.03 12 203.7 214.7 52 3 3 0 26.047 52.095 0.285 7.95 6 108.8 30.3 53 2 1 7 26.119 52.238 0.286 7.9 24 52.4 28.0 54 1 0 8 26.204 52.409 0.287 7.84 12 11.5 0.7 55 4 1 4 26.345 52.69 0.288 7.75 24 50.8 25.8 56 3 1 6 26.458 52.915 0.289 7.67 24 28.5 8.0 57 4 2 0 26.562 53.125 0.29 7.6 12 103.2 52.2 58 4 2 1 26.772 53.544 0.292 7.47 24 66.7 42.9 59 3 3 2 26.89 53.781 0.294 7.39 12 3.5 0.1 60 3 2 5 27.209 54.418 0.297 7.2 24 16.1 2.4 61 1 1 8 27.223 54.447 0.297 7.19 12 41.7 8.1 62 4 2 2 27.394 54.789 0.299 7.09 24 98.6 88.9 63 2 0 8 27.723 55.446 0.302 6.9 12 21.0 2.0 64 4 0 6 27.967 55.934 0.304 6.76 12 131.3 75.2 65 5 1 0 28.068 56.136 0.305 6.71 12 40.8 7.2 66 4 1 5 28.203 56.406 0.307 6.64 24 5.7 0.3 67 5 1 1 28.27 56.54 0.307 6.6 24 99.6 84.5 68 5 0 4 28.351 56.702 0.308 6.56 12 29.1 3.6 69 4 2 3 28.411 56.822 0.309 6.53 24 22.7 4.3 70 5 1 2 28.871 57.741 0.313 6.29 24 56.9 26.3 71 3 1 7 29.109 58.218 0.316 6.18 24 14.1 1.6 72 2 1 8 29.188 58.377 0.317 6.14 24 52.9 22.2 73 3 3 4 29.319 58.639 0.318 6.08 12 157.8 97.6 74 3 2 6 29.424 58.849 0.319 6.03 24 36.7 10.4 75 4 2 4 29.796 59.592 0.323 5.86 24 106.1 85.1 76 5 1 3 29.854 59.709 0.323 5.84 24 51.2 19.7 77 3 0 8 30.14 60.28 0.326 5.71 12 93.7 32.4 78 4 1 6 30.371 60.743 0.328 5.62 24 66.0 31.5 79 6 0 0 30.467 60.934 0.329 5.58 6 150.1 40.5 80 4 3 0 30.933 61.867 0.334 5.39 12 68.1 16.1 81 4 3 1 31.124 62.247 0.336 5.32 24 8.1 0.4 82 5 1 4 31.2 62.4 0.336 5.29 24 41.0 11.4 83 6 0 2 31.231 62.463 0.337 5.28 12 171.8 100.6 84 4 2 5 31.522 63.043 0.339 5.17 24 68.9 31.7 85 2 2 8 31.535 63.069 0.339 5.17 12 270.5 243.9 86 4 3 2 31.691 63.382 0.341 5.11 24 5.8 0.2 87 5 2 0 31.854 63.707 0.343 5.06 12 207.1 139.8 88 3 2 7 31.917 63.833 0.343 5.03 24 21.0 2.9 89 3 1 8 31.992 63.984 0.344 5.01 24 4.1 0.1 90 5 2 1 32.041 64.082 0.344 4.99 24 43.4 12.2 91 5 0 6 32.216 64.431 0.346 4.93 12 3.6 0.0 92 2 1 9 32.439 64.879 0.348 4.86 24 42.9 11.5 93 5 2 2 32.599 65.198 0.35 4.81 24 50.3 15.7 94 4 3 3 32.624 65.248 0.35 4.8 24 47.6 14.0 95 0 0 10 32.804 65.608 0.352 4.74 2 56.9 1.6 96 4 1 7 32.822 65.643 0.352 4.74 24 51.9 16.5 97 5 1 5 32.883 65.766 0.352 4.72 24 68.1 28.2 98 3 3 6 33.116 66.232 0.355 4.65 12 10.5 0.3 99 1 0 10 33.252 66.503 0.356 4.61 12 30.0 2.7 100 4 0 8 33.343 66.685 0.357 4.58 12 87.4 22.6 101 6 0 4 33.464 66.928 0.358 4.55 12 205.1 123.4 102 5 2 3 33.519 67.038 0.358 4.53 24 22.5 3.0 103 4 2 6 33.562 67.123 0.359 4.52 24 110.6 71.3 104 6 1 0 33.652 67.305 0.36 4.49 12 40.3 4.7 105 6 1 1 33.834 67.669 0.361 4.44 24 4.5 0.1 106 4 3 4 33.907 67.815 0.362 4.42 24 25.8 3.8 107 1 1 10 34.138 68.276 0.364 4.36 12 45.0 5.7 108 6 1 2 34.378 68.756 0.367 4.3 24 18.0 1.8 109 2 0 10 34.577 69.154 0.368 4.25 12 146.6 58.9 110 3 2 8 34.667 69.333 0.369 4.23 24 71.9 28.2 111 5 2 4 34.786 69.572 0.37 4.2 24 61.8 20.7 112 5 1 6 34.882 69.763 0.371 4.17 24 13.4 1.0 113 3 1 9 35.097 70.194 0.373 4.12 24 172.8 158.8 114 6 1 3 35.275 70.549 0.375 4.08 24 14.3 1.1 115 4 3 5 35.524 71.048 0.377 4.02 24 23.3 2.8 116 4 1 8 35.536 71.073 0.377 4.02 24 15.2 1.2 117 4 4 0 35.837 71.675 0.38 3.95 6 41.0 2.1 118 2 1 10 35.88 71.76 0.38 3.95 24 45.8 10.7 119 4 2 7 35.897 71.794 0.381 3.94 24 27.8 3.9 120 5 3 0 36.267 72.535 0.384 3.86 12 12.7 0.4 121 7 0 0 36.267 72.535 0.384 3.86 6 170.6 36.3 122 5 2 5 36.385 72.77 0.385 3.84 24 14.8 1.1 123 5 3 1 36.443 72.887 0.386 3.83 24 82.0 33.2 124 6 1 4 36.514 73.028 0.386 3.81 24 63.0 19.5 125 4 4 2 36.543 73.086 0.387 3.81 12 120.9 35.9 126 3 0 10 36.737 73.475 0.388 3.77 12 43.1 4.5 127 5 3 2 36.97 73.94 0.39 3.73 24 15.6 1.2 128 7 0 2 36.97 73.94 0.39 3.73 12 7.6 0.1 129 6 0 6 37.034 74.069 0.391 3.71 12 68.4 11.2 130 5 1 7 37.18 74.36 0.392 3.69 24 40.4 7.8 131 5 0 8 37.25 74.5 0.393 3.67 12 83.9 16.7 132 4 3 6 37.459 74.918 0.395 3.64 24 32.8 5.0 133 6 2 0 37.546 75.091 0.396 3.62 12 157.9 58.2 134 3 2 9 37.668 75.337 0.397 3.6 24 21.5 2.2 135 6 2 1 37.72 75.439 0.397 3.59 24 89.6 37.2 136 5 3 3 37.841 75.682 0.398 3.57 24 70.8 23.1 137 2 2 10 38.01 76.02 0.4 3.54 12 47.1 5.1 138 6 1 5 38.084 76.168 0.4 3.53 24 2.9 0.0 139 3 3 8 38.096 76.192 0.4 3.53 12 33.1 2.5 140 6 2 2 38.24 76.479 0.402 3.51 24 117.3 62.2 141 5 2 6 38.303 76.607 0.402 3.49 24 36.8 6.1 142 3 1 10 38.431 76.862 0.403 3.47 24 29.0 3.8 143 4 1 9 38.511 77.022 0.404 3.46 24 18.5 1.5 144 4 2 8 38.517 77.033 0.404 3.46 24 87.8 34.4 145 4 4 4 38.631 77.262 0.405 3.44 12 234.3 121.9 146 5 3 4 39.05 78.1 0.409 3.38 24 71.4 22.2 147 7 0 4 39.05 78.1 0.409 3.38 12 60.3 7.9 148 6 2 3 39.101 78.203 0.409 3.37 24 74.3 24.1 149 2 1 11 39.532 79.063 0.413 3.32 24 48.1 9.9 150 7 1 0 39.644 79.288 0.414 3.3 12 22.6 1.1 151 4 0 10 39.685 79.371 0.415 3.3 12 125.5 33.5 152 4 3 7 39.702 79.404 0.415 3.29 24 2.4 0.0 153 5 1 8 39.77 79.541 0.415 3.28 24 9.6 0.4 154 7 1 1 39.815 79.631 0.416 3.28 24 14.8 0.9 155 6 1 6 39.975 79.95 0.417 3.26 24 6.8 0.2 156 6 2 4 40.299 80.598 0.42 3.22 24 15.4 1.0 157 7 1 2 40.327 80.655 0.42 3.21 24 8.5 0.3 158 5 2 7 40.532 81.065 0.422 3.19 24 41.1 7.0 159 0 0 12 40.55 81.101 0.422 3.19 2 115.3 4.6 160 5 3 5 40.589 81.177 0.422 3.18 24 63.0 16.3 161 3 2 10 40.93 81.859 0.425 3.15 24 22.2 2.0 162 1 0 12 40.964 81.928 0.426 3.14 12 77.9 12.3 163 7 1 3 41.178 82.355 0.427 3.12 24 10.8 0.5 164 5 4 0 41.302 82.604 0.428 3.11 12 75.8 11.5 165 4 2 9 41.421 82.843 0.429 3.09 24 77.9 24.2 166 5 4 1 41.471 82.943 0.43 3.09 24 30.5 3.7 167 4 1 10 41.755 83.509 0.432 3.06 24 39.0 6.0 168 1 1 12 41.789 83.578 0.433 3.06 12 71.2 10.0 169 6 2 5 41.827 83.654 0.433 3.05 24 57.4 13.0 170 6 0 8 41.839 83.678 0.433 3.05 12 59.3 6.9 171 5 4 2 41.979 83.958 0.434 3.04 24 18.1 1.3 172 3 1 11 42.014 84.029 0.434 3.04 24 41.4 6.7 173 4 4 6 42.042 84.083 0.435 3.03 12 100.6 19.8 174 6 3 0 42.126 84.251 0.435 3.03 12 35.2 2.4 175 6 1 7 42.183 84.365 0.436 3.02 24 9.5 0.4 176 2 0 12 42.201 84.401 0.436 3.02 12 112.0 24.5 177 4 3 8 42.25 84.501 0.436 3.02 24 71.7 20.0 178 6 3 1 42.295 84.589 0.437 3.01 24 17.6 1.2 179 7 1 4 42.362 84.725 0.437 3.01 24 83.5 27.0 180 5 3 6 42.453 84.905 0.438 3.0 24 10.9 0.5 181 7 0 6 42.453 84.905 0.438 3.0 12 25.8 1.3 182 8 0 0 42.537 85.073 0.439 2.99 6 114.5 12.6 183 5 1 9 42.656 85.311 0.44 2.98 24 81.4 25.5 184 6 3 2 42.801 85.602 0.441 2.97 24 7.6 0.2 185 5 4 3 42.824 85.647 0.441 2.97 24 12.2 0.6 186 5 2 8 43.071 86.143 0.443 2.95 24 148.9 84.4 187 8 0 2 43.211 86.422 0.444 2.94 12 70.4 9.4 188 5 0 10 43.398 86.795 0.446 2.92 12 16.3 0.5 189 2 1 12 43.432 86.863 0.446 2.92 24 18.0 1.2 190 6 3 3 43.643 87.287 0.448 2.91 24 12.1 0.6 191 6 2 6 43.683 87.366 0.448 2.9 24 74.7 20.9 192 7 2 0 43.767 87.534 0.449 2.9 12 63.9 7.6 193 7 1 5 43.879 87.759 0.45 2.89 24 10.8 0.4 194 7 2 1 43.935 87.87 0.45 2.89 24 30.4 3.4 195 5 4 4 44.003 88.005 0.451 2.88 24 8.4 0.3 196 3 3 10 44.217 88.433 0.453 2.87 12 38.6 2.8 197 3 0 12 44.251 88.502 0.453 2.87 12 10.8 0.2 198 7 2 2 44.44 88.88 0.454 2.86 24 15.1 0.8 199 3 2 11 44.475 88.95 0.455 2.86 24 26.5 2.6 200 4 2 10 44.626 89.252 0.456 2.85 24 58.9 12.7 201 5 3 7 44.642 89.284 0.456 2.85 24 45.4 7.6 202 6 1 8 44.71 89.419 0.457 2.84 24 24.0 2.1 203 6 3 4 44.821 89.642 0.458 2.84 24 38.2 5.4 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 4.848 9.695 9.11492 61.8 4.3 4.4 5.6 2 0 0 2 6.22 12.441 7.109 662.0 46.2 46.5 5.6 3 1 0 2 7.898 15.796 5.60565 159.2 11.1 11.2 5.6 4 1 1 0 8.417 16.833 5.2625 259.8 18.1 18.2 5.6 5 2 0 0 9.731 19.461 4.55746 50.7 3.5 3.5 5.6 6 1 1 2 10.493 20.986 4.22969 36.6 2.6 2.6 5.6 7 2 0 2 11.582 23.163 3.83673 1432.6 100.0 100.0 5.6 8 0 0 4 12.516 25.031 3.5545 59.0 4.1 4.1 5.6 9 2 1 0 12.92 25.84 3.44511 61.6 4.3 4.3 5.6 10 2 1 1 13.3 26.601 3.34823 872.5 60.9 60.7 5.6 11 1 0 4 13.45 26.9 3.31161 388.6 27.1 27.1 5.6 12 2 1 2 14.386 28.772 3.10025 64.9 4.5 4.5 5.6 13 3 0 0 14.686 29.372 3.03831 84.9 5.9 5.9 5.6 14 1 1 4 15.16 30.319 2.94554 620.9 43.3 43.1 5.6 15 2 0 4 15.951 31.903 2.80283 755.8 52.8 52.4 5.6 16 3 0 2 16.004 32.008 2.79384 37.3 2.6 2.6 5.6 17 2 1 3 16.046 32.093 2.78666 162.8 11.4 11.3 5.6 18 2 2 0 17.022 34.044 2.63125 666.4 46.5 46.1 5.7 19 3 1 0 17.74 35.48 2.52802 22.2 1.5 1.5 5.7 20 3 1 1 18.028 36.055 2.48899 151.8 10.6 10.5 5.7 21 2 1 4 18.142 36.284 2.47383 40.7 2.8 2.8 5.7 22 2 2 2 18.189 36.378 2.46765 140.5 9.8 9.7 5.7 23 3 0 4 19.483 38.965 2.30955 48.4 3.4 3.3 5.7 24 4 0 0 19.757 39.514 2.27873 33.7 2.4 2.3 5.7 25 3 1 3 20.202 40.404 2.23053 84.8 5.9 5.8 5.7 26 4 0 2 20.792 41.583 2.16998 219.9 15.4 15.1 5.7 27 2 2 4 21.36 42.72 2.11485 288.9 20.2 19.8 5.7 28 2 0 6 21.492 42.984 2.10245 133.8 9.3 9.2 5.7 29 3 2 0 21.615 43.229 2.09111 53.0 3.7 3.6 5.7 30 3 1 4 21.956 43.913 2.06012 288.4 20.1 19.8 5.7 31 4 1 0 22.784 45.569 1.98904 72.5 5.1 5.0 5.7 32 4 1 1 23.019 46.038 1.96986 37.9 2.6 2.6 5.7 33 4 0 4 23.674 47.348 1.91836 37.1 2.6 2.5 5.7 34 3 1 5 24.06 48.121 1.88934 144.4 10.1 9.8 5.7 35 5 0 0 24.995 49.99 1.82298 103.8 7.2 7.1 5.7 36 3 2 4 25.301 50.602 1.80235 38.9 2.7 2.6 5.8 37 0 0 8 25.684 51.368 1.77725 177.7 12.4 12.1 5.8 38 2 2 6 25.941 51.882 1.76085 214.7 15.0 14.6 5.8 39 3 3 0 26.047 52.095 1.75417 30.3 2.1 2.1 5.8 40 2 1 7 26.119 52.238 1.74969 28.0 2.0 1.9 5.8 41 4 1 4 26.345 52.69 1.73576 25.8 1.8 1.7 5.8 42 4 2 0 26.562 53.125 1.72256 52.2 3.6 3.5 5.8 43 4 2 1 26.772 53.544 1.71005 42.9 3.0 2.9 5.8 44 4 2 2 27.394 54.789 1.67411 88.9 6.2 6.0 5.8 45 4 0 6 27.967 55.934 1.64251 75.2 5.2 5.1 5.8 46 5 1 1 28.27 56.54 1.62634 84.5 5.9 5.7 5.8 47 5 1 2 28.871 57.741 1.59533 26.3 1.8 1.8 5.8 48 2 1 8 29.188 58.377 1.57946 22.2 1.5 1.5 5.8 49 3 3 4 29.319 58.639 1.57304 97.6 6.8 6.6 5.8 50 4 2 4 29.796 59.592 1.55012 85.1 5.9 5.7 5.8 51 5 1 3 29.854 59.709 1.54737 19.7 1.4 1.3 5.8 52 3 0 8 30.14 60.28 1.53407 32.4 2.3 2.2 5.8 53 4 1 6 30.371 60.743 1.52349 31.5 2.2 2.1 5.8 54 6 0 0 30.467 60.934 1.51915 40.5 2.8 2.7 5.8 55 4 3 0 30.933 61.867 1.49848 16.1 1.1 1.1 5.8 56 6 0 2 31.231 62.463 1.48561 100.6 7.0 6.7 5.8 57 2 2 8 31.535 63.069 1.47277 275.6 19.2 18.4 5.9 58 5 2 0 31.854 63.707 1.45955 139.8 9.8 9.3 5.9 59 5 2 2 32.599 65.198 1.42973 29.7 2.1 2.0 5.9 60 4 1 7 32.822 65.643 1.42111 18.1 1.3 1.2 5.9 61 5 1 5 32.883 65.766 1.41877 28.2 2.0 1.9 5.9 62 4 0 8 33.343 66.685 1.40141 22.6 1.6 1.5 5.9 63 6 0 4 33.464 66.928 1.39692 123.4 8.6 8.2 5.9 64 4 2 6 33.562 67.123 1.39333 71.3 5.0 4.7 5.9 65 2 0 10 34.577 69.154 1.35728 58.9 4.1 3.9 5.9 66 3 2 8 34.667 69.333 1.35422 28.2 2.0 1.9 5.9 67 5 2 4 34.786 69.572 1.35016 20.7 1.4 1.4 5.9 68 3 1 9 35.097 70.194 1.33971 158.8 11.1 10.5 5.9 69 2 1 10 35.88 71.76 1.31427 14.6 1.0 1.0 5.9 70 7 0 0 36.267 72.535 1.30213 36.3 2.5 2.4 5.9 71 5 3 1 36.443 72.887 1.2967 33.2 2.3 2.2 6.0 72 4 4 2 36.543 73.086 1.29366 55.5 3.9 3.6 6.0 73 5 0 8 37.25 74.5 1.27257 16.7 1.2 1.1 6.0 74 6 2 0 37.546 75.091 1.26401 58.2 4.1 3.8 6.0 75 6 2 1 37.72 75.439 1.25905 37.2 2.6 2.4 6.0 76 5 3 3 37.841 75.682 1.2556 23.1 1.6 1.5 6.0 77 6 2 2 38.24 76.479 1.24449 62.2 4.3 4.1 6.0 78 4 2 8 38.517 77.033 1.23692 36.0 2.5 2.3 6.0 79 4 4 4 38.631 77.262 1.23382 121.9 8.5 7.9 6.0 80 5 3 4 39.05 78.1 1.22267 30.2 2.1 2.0 6.0 81 6 2 3 39.101 78.203 1.22132 24.1 1.7 1.6 6.0 82 4 0 10 39.685 79.371 1.20626 33.5 2.3 2.2 6.0 83 5 3 5 40.589 81.177 1.18391 16.3 1.1 1.1 6.1 84 4 2 9 41.421 82.843 1.16428 24.2 1.7 1.6 6.1 85 6 2 5 41.827 83.654 1.15504 19.9 1.4 1.3 6.1 86 4 4 6 42.042 84.083 1.15024 26.5 1.9 1.7 6.1 87 2 0 12 42.201 84.401 1.14671 24.5 1.7 1.6 6.1 88 4 3 8 42.25 84.501 1.14562 20.0 1.4 1.3 6.1 89 7 1 4 42.362 84.725 1.14316 27.0 1.9 1.7 6.1 90 5 1 9 42.656 85.311 1.13679 25.5 1.8 1.6 6.1 91 5 2 8 43.071 86.143 1.12794 84.4 5.9 5.4 6.1 92 6 2 6 43.683 87.366 1.11527 20.9 1.5 1.3 6.2 93 4 2 10 44.626 89.252 1.09652 20.3 1.4 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) |