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 *** *********************** POLLUCITE 8, DN [Cs,Na]AlSi(2)O(6).0.33H(2)O Cubic I a3d Z = 16 Ia3d 12 .3 .10 Ref.Str.: Gatta G.D., Rotiroti N., Boffa Ballaran T., Sanchez-Valle C., Pavese A. (2009) * Amer. Mineral., 52, 1515-1518 R: from Greenwood, Oxford County, Maine, USA. See U(ij) in the original. N.A.D. Initial data from BDM-file Lattice parameters (cub. angs.,degr.): a = 13.667 alpha = 90.0 b = 13.667 beta = 90.0 c = 13.667 gamma = 90.0 Unit cell volume (cub. angs.) = 2552.82 Molar volume ( cub.cm/mol.) = 96.1 Co-ordinates, thermal parameters, occupation for atomic positions: NoP x/a y/b z/c B(j) atom / occupation 1 0.125 0.125 0.125 0.0 Cs = 0.67, H(2)O = 0.33 2 0.25 0.125 0.0 0.0 Na = 0.07, Na = 0.0 3 0.125 0.6622 0.5878 0.0 Si = 0.74, Al = 0.26 4 0.1047 0.1336 0.7196 0.0 O = 1.00 Co-ordinates for all atomic positions : No NoP x/a y/b z/c 1 1 0.125 0.125 0.125 2 2 0.25 0.125 0.0 3 3 0.125 0.6622 0.5878 4 4 0.1047 0.1336 0.7196 5 1 0.875 0.875 0.875 6 2 0.75 0.875 0.0 7 3 0.875 0.3378 0.4122 8 4 0.8953 0.8664 0.2804 9 1 0.625 0.375 0.875 10 1 0.375 0.875 0.625 11 1 0.875 0.625 0.375 12 2 0.625 0.5 0.75 13 2 0.25 0.875 0.5 14 2 0.875 0.5 0.25 15 3 0.0878 0.375 0.3378 16 3 0.375 0.3378 0.0878 17 3 0.4122 0.625 0.8378 18 4 0.6164 0.3547 0.4696 19 4 0.3953 0.8664 0.2196 20 4 0.8836 0.6453 0.9696 21 1 0.875 0.125 0.625 22 1 0.625 0.125 0.375 23 1 0.625 0.875 0.125 24 2 0.875 0.0 0.75 25 2 0.75 0.125 0.5 26 2 0.625 0.0 0.25 27 3 0.4122 0.125 0.1622 28 3 0.625 0.6622 0.9122 29 3 0.0878 0.875 0.6622 30 4 0.8836 0.1453 0.0304 31 4 0.6047 0.1336 0.7804 32 4 0.6164 0.8547 0.5304 33 3 0.875 0.6622 0.0878 34 4 0.8953 0.1336 0.2196 35 1 0.125 0.875 0.375 36 3 0.125 0.3378 0.9122 37 4 0.1047 0.8664 0.7804 38 1 0.375 0.375 0.375 39 1 0.125 0.625 0.875 40 2 0.375 0.5 0.25 41 2 0.125 0.5 0.75 42 3 0.9122 0.375 0.8378 43 3 0.625 0.3378 0.5878 44 3 0.5878 0.625 0.3378 45 4 0.3836 0.3547 0.9696 46 4 0.6047 0.8664 0.7196 47 4 0.1164 0.6453 0.4696 48 1 0.375 0.125 0.875 49 2 0.125 0.0 0.25 50 2 0.375 0.0 0.75 51 3 0.5878 0.125 0.6622 52 3 0.375 0.6622 0.4122 53 3 0.9122 0.875 0.1622 54 4 0.1164 0.1453 0.5304 55 4 0.3953 0.1336 0.2804 56 4 0.3836 0.8547 0.0304 57 2 0.25 0.375 0.5 58 3 0.375 0.8378 0.9122 59 4 0.3953 0.3664 0.7804 60 1 0.625 0.625 0.625 61 2 0.75 0.625 0.5 62 3 0.625 0.1622 0.0878 63 4 0.6047 0.6336 0.2196 64 2 0.25 0.625 0.0 65 3 0.125 0.1622 0.4122 66 4 0.1047 0.6336 0.2804 67 1 0.875 0.375 0.125 68 2 0.75 0.375 0.0 69 3 0.875 0.8378 0.5878 70 4 0.8953 0.3664 0.7196 71 3 0.625 0.8378 0.4122 72 4 0.6047 0.3664 0.2804 73 1 0.375 0.625 0.125 74 3 0.375 0.1622 0.5878 75 4 0.3953 0.6336 0.7196 76 3 0.875 0.1622 0.9122 77 4 0.8953 0.6336 0.7804 78 1 0.125 0.375 0.625 79 3 0.125 0.8378 0.0878 80 4 0.1047 0.3664 0.2196 81 2 0.0 0.25 0.125 82 3 0.6622 0.5878 0.125 83 4 0.1336 0.7196 0.1047 84 4 0.7196 0.1047 0.1336 85 2 0.0 0.75 0.875 86 3 0.3378 0.4122 0.875 87 3 0.4122 0.875 0.3378 88 4 0.8664 0.2804 0.8953 89 4 0.2804 0.8953 0.8664 90 2 0.5 0.75 0.625 91 2 0.5 0.25 0.875 92 3 0.3378 0.0878 0.375 93 3 0.8378 0.4122 0.625 94 4 0.3547 0.4696 0.6164 95 4 0.4696 0.6164 0.3547 96 4 0.8664 0.2196 0.3953 97 4 0.2196 0.3953 0.8664 98 4 0.6453 0.9696 0.8836 99 4 0.9696 0.8836 0.6453 100 2 0.5 0.75 0.125 101 2 0.0 0.25 0.625 102 3 0.1622 0.4122 0.125 103 3 0.6622 0.9122 0.625 104 3 0.9122 0.625 0.6622 105 3 0.6622 0.0878 0.875 106 4 0.1453 0.0304 0.8836 107 4 0.0304 0.8836 0.1453 108 4 0.1336 0.7804 0.6047 109 4 0.7804 0.6047 0.1336 110 4 0.8547 0.5304 0.6164 111 4 0.5304 0.6164 0.8547 112 4 0.1336 0.2196 0.8953 113 4 0.2196 0.8953 0.1336 114 3 0.3378 0.9122 0.125 115 3 0.9122 0.125 0.3378 116 4 0.8664 0.7804 0.1047 117 4 0.7804 0.1047 0.8664 118 2 0.5 0.25 0.375 119 3 0.8378 0.9122 0.375 120 3 0.3378 0.5878 0.625 121 4 0.3547 0.9696 0.3836 122 4 0.9696 0.3836 0.3547 123 4 0.8664 0.7196 0.6047 124 4 0.7196 0.6047 0.8664 125 4 0.6453 0.4696 0.1164 126 4 0.4696 0.1164 0.6453 127 2 0.0 0.75 0.375 128 3 0.6622 0.4122 0.375 129 3 0.4122 0.375 0.6622 130 3 0.1622 0.9122 0.875 131 4 0.1453 0.5304 0.1164 132 4 0.5304 0.1164 0.1453 133 4 0.1336 0.2804 0.3953 134 4 0.2804 0.3953 0.1336 135 4 0.8547 0.0304 0.3836 136 4 0.0304 0.3836 0.8547 137 4 0.3664 0.7804 0.3953 138 4 0.7804 0.3953 0.3664 139 3 0.1622 0.0878 0.625 140 3 0.0878 0.625 0.1622 141 4 0.6336 0.2196 0.6047 142 4 0.2196 0.6047 0.6336 143 4 0.6336 0.2804 0.1047 144 4 0.2804 0.1047 0.6336 145 3 0.8378 0.5878 0.875 146 3 0.5878 0.875 0.8378 147 4 0.3664 0.7196 0.8953 148 4 0.7196 0.8953 0.3664 149 4 0.3664 0.2804 0.6047 150 4 0.2804 0.6047 0.3664 151 3 0.1622 0.5878 0.375 152 3 0.5878 0.375 0.1622 153 4 0.6336 0.7196 0.3953 154 4 0.7196 0.3953 0.6336 155 4 0.6336 0.7804 0.8953 156 4 0.7804 0.8953 0.6336 157 3 0.8378 0.0878 0.125 158 3 0.0878 0.125 0.8378 159 4 0.3664 0.2196 0.1047 160 4 0.2196 0.1047 0.3664 161 4 0.3836 0.1453 0.4696 162 4 0.1164 0.8547 0.9696 163 4 0.1164 0.3547 0.0304 164 4 0.3836 0.6453 0.5304 165 4 0.6164 0.1453 0.9696 166 4 0.8836 0.8547 0.4696 167 4 0.8836 0.3547 0.5304 168 4 0.6164 0.6453 0.0304 169 4 0.6453 0.0304 0.6164 170 4 0.5304 0.8836 0.3547 171 4 0.3547 0.5304 0.8836 172 4 0.0304 0.6164 0.6453 173 4 0.8547 0.4696 0.8836 174 4 0.9696 0.6164 0.1453 175 4 0.1453 0.9696 0.6164 176 4 0.4696 0.8836 0.8547 177 4 0.6453 0.5304 0.3836 178 4 0.0304 0.1164 0.3547 179 4 0.3547 0.0304 0.1164 180 4 0.5304 0.3836 0.6453 181 4 0.8547 0.9696 0.1164 182 4 0.4696 0.3836 0.1453 183 4 0.1453 0.4696 0.3836 184 4 0.9696 0.1164 0.8547 X-ray density (g/cm cub.) = 2.87 MU (1/cm) = 357.281 Mass attenuation coefficient (cm**2/g) = 124.277 Selected interatomic distances (cation-anion,anion-anion): NoP Atom Rad.sph. C.N. Distance NoP N. (angs.) (angs.) 1 Cs ,H(2)O 3.78 12 3.5543 4 3.3972 4 3.5543 4 3.5543 4 3.5543 4 3.3972 4 3.3972 4 3.5543 4 3.5543 4 3.3972 4 3.3972 4 3.3972 4 2 Na ,Na 2.976 4 2.5 4 2.5 4 2.5 4 2.5 4 3 Si ,Al 2.484 4 1.6364 4 1.6364 4 1.637 4 1.637 4 4 O 3.432 6 2.5957 4 2.7057 4 2.7025 4 2.7025 4 2.7057 4 2.6218 4 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 2 7.935 15.871 0.09 101.99 24 10.1 3.8 2 2 2 0 9.173 18.346 0.103 75.77 12 81.7 93.0 3 3 2 1 12.174 24.348 0.137 42.1 48 205.1 1304.9 4 4 0 0 13.029 26.058 0.146 36.49 6 1147.3 4423.0 5 4 2 0 14.599 29.198 0.164 28.66 24 91.0 87.4 6 3 3 2 15.329 30.657 0.172 25.82 24 456.8 1983.7 7 2 2 4 16.028 32.056 0.179 23.45 24 61.1 32.3 8 4 3 1 16.701 33.403 0.187 21.45 48 118.1 220.2 9 5 2 1 17.981 35.962 0.2 18.26 48 117.1 184.4 10 4 4 0 18.592 37.184 0.207 16.97 12 632.1 1248.3 11 1 1 6 20.33 40.66 0.226 13.92 24 62.4 19.9 12 5 3 2 20.33 40.66 0.226 13.92 48 245.4 617.4 13 6 2 0 20.883 41.765 0.231 13.11 24 97.7 46.1 14 5 4 1 21.423 42.847 0.237 12.38 48 39.9 14.5 15 6 3 1 22.473 44.947 0.248 11.12 48 177.1 256.8 16 4 4 4 22.984 45.968 0.253 10.57 8 329.7 141.0 17 5 4 3 23.486 46.973 0.259 10.06 48 40.0 11.9 18 6 4 0 23.98 47.961 0.264 9.6 24 186.5 123.0 19 3 3 6 24.467 48.933 0.269 9.17 24 331.5 371.0 20 5 5 2 24.467 48.933 0.269 9.17 24 184.2 114.6 21 7 2 1 24.467 48.933 0.269 9.17 48 224.0 338.9 22 6 4 2 24.946 49.892 0.274 8.77 48 71.5 33.0 23 6 5 1 26.346 52.691 0.288 7.75 48 90.2 46.4 24 7 3 2 26.346 52.691 0.288 7.75 48 421.1 1011.7 25 8 0 0 26.8 53.601 0.293 7.45 6 690.2 326.8 26 7 4 1 27.25 54.5 0.297 7.17 48 139.6 103.0 27 8 2 0 27.695 55.39 0.302 6.92 24 118.9 36.0 28 6 5 3 28.135 56.269 0.306 6.67 48 174.1 148.9 29 2 2 8 28.57 57.14 0.31 6.44 24 51.1 6.2 30 6 6 0 28.57 57.14 0.31 6.44 12 140.2 23.3 31 7 4 3 29.001 58.003 0.315 6.23 48 42.5 8.3 32 8 3 1 29.001 58.003 0.315 6.23 48 147.7 100.1 33 7 5 2 29.852 59.704 0.323 5.84 48 242.2 252.1 34 8 4 0 30.272 60.544 0.327 5.66 24 435.7 395.5 35 8 4 2 31.101 62.203 0.335 5.33 48 60.4 14.3 36 5 5 6 31.511 63.023 0.339 5.18 24 136.0 35.3 37 7 6 1 31.511 63.023 0.339 5.18 48 208.7 166.2 38 9 2 1 31.511 63.023 0.339 5.18 48 37.9 5.5 39 6 6 4 31.918 63.837 0.343 5.03 24 88.5 14.5 40 7 5 4 32.322 64.645 0.347 4.9 48 74.4 20.0 41 8 5 1 32.322 64.645 0.347 4.9 48 45.8 7.6 42 7 6 3 33.123 66.246 0.355 4.65 48 319.0 348.3 43 9 3 2 33.123 66.246 0.355 4.65 48 42.8 6.3 44 4 4 8 33.519 67.039 0.358 4.53 24 281.6 132.3 45 8 5 3 33.914 67.827 0.362 4.42 48 61.4 12.3 46 9 4 1 33.914 67.827 0.362 4.42 48 42.2 5.8 47 8 6 0 34.306 68.611 0.366 4.32 24 188.1 56.2 48 1 1 10 34.695 69.391 0.369 4.22 24 355.8 196.7 49 7 7 2 34.695 69.391 0.369 4.22 24 440.1 301.0 50 8 6 2 35.083 70.167 0.373 4.12 48 69.8 14.8 51 10 2 0 35.083 70.167 0.373 4.12 24 74.1 8.3 52 9 4 3 35.469 70.939 0.377 4.04 48 20.9 1.3 53 7 6 5 36.236 72.472 0.384 3.87 48 198.2 112.0 54 9 5 2 36.236 72.472 0.384 3.87 48 160.0 73.0 55 10 3 1 36.236 72.472 0.384 3.87 48 310.2 274.3 56 8 7 1 36.997 73.993 0.391 3.72 48 196.5 105.8 57 8 6 4 37.374 74.749 0.394 3.65 48 60.5 9.9 58 10 4 0 37.374 74.749 0.394 3.65 24 148.3 29.6 59 3 3 10 37.751 75.502 0.397 3.59 24 310.0 126.9 60 9 6 1 37.751 75.502 0.397 3.59 48 13.1 0.5 61 10 4 2 38.126 76.253 0.401 3.52 48 52.3 7.1 62 8 7 3 38.501 77.001 0.404 3.46 48 65.7 11.0 63 9 5 4 38.501 77.001 0.404 3.46 48 39.5 4.0 64 9 6 3 39.246 78.491 0.411 3.35 48 0.6 0.0 65 10 5 1 39.246 78.491 0.411 3.35 48 335.4 278.0 66 11 2 1 39.246 78.491 0.411 3.35 48 75.3 14.0 67 8 8 0 39.617 79.233 0.414 3.3 12 358.2 78.1 68 7 7 6 40.724 81.449 0.423 3.17 24 322.0 121.0 69 9 7 2 40.724 81.449 0.423 3.17 48 89.0 18.5 70 10 5 3 40.724 81.449 0.423 3.17 48 270.7 171.1 71 11 3 2 40.724 81.449 0.423 3.17 48 176.2 72.5 72 6 6 8 41.092 82.184 0.427 3.13 24 95.8 10.6 73 10 6 0 41.092 82.184 0.427 3.13 24 93.4 10.1 74 8 7 5 41.459 82.918 0.43 3.09 48 111.7 28.4 75 11 4 1 41.459 82.918 0.43 3.09 48 108.7 26.9 76 10 6 2 41.826 83.651 0.433 3.05 48 2.6 0.0 77 9 6 5 42.192 84.383 0.436 3.02 48 112.9 28.4 78 8 8 4 42.557 85.115 0.439 2.99 24 287.3 90.9 79 12 0 0 42.557 85.115 0.439 2.99 6 375.7 38.9 80 9 7 4 42.922 85.845 0.442 2.96 48 50.2 5.5 81 9 8 1 42.922 85.845 0.442 2.96 48 49.5 5.3 82 11 4 3 42.922 85.845 0.442 2.96 48 24.4 1.3 83 12 2 0 43.287 86.574 0.445 2.93 24 119.7 15.5 84 5 5 10 43.652 87.303 0.448 2.91 24 373.5 149.3 85 10 7 1 43.652 87.303 0.448 2.91 48 227.4 110.8 86 11 5 2 43.652 87.303 0.448 2.91 48 216.3 100.1 87 2 2 12 44.016 88.032 0.451 2.88 24 41.9 1.9 88 10 6 4 44.016 88.032 0.451 2.88 48 40.0 3.4 89 9 8 3 44.38 88.76 0.454 2.86 48 43.7 4.0 90 12 3 1 44.38 88.76 0.454 2.86 48 67.7 9.7 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 2 0 9.173 18.346 4.83201 93.0 2.1 2.1 5.6 2 3 2 1 12.174 24.348 3.65266 1304.9 29.5 29.5 5.6 3 4 0 0 13.029 26.058 3.41675 4423.0 100.0 100.0 5.6 4 4 2 0 14.599 29.198 3.05603 87.4 2.0 2.0 5.6 5 3 3 2 15.329 30.657 2.91381 1983.7 44.8 44.7 5.6 6 4 3 1 16.701 33.403 2.68032 220.2 5.0 4.9 5.7 7 5 2 1 17.981 35.962 2.49524 184.4 4.2 4.1 5.7 8 4 4 0 18.592 37.184 2.41601 1248.3 28.2 28.0 5.7 9 5 3 2 20.33 40.66 2.21708 637.3 14.4 14.2 5.7 10 6 2 0 20.883 41.765 2.16094 46.1 1.0 1.0 5.7 11 6 3 1 22.473 44.947 2.01509 256.8 5.8 5.7 5.7 12 4 4 4 22.984 45.968 1.97266 141.0 3.2 3.1 5.7 13 6 4 0 23.98 47.961 1.89527 123.0 2.8 2.7 5.7 14 3 3 6 24.467 48.933 1.85984 824.5 18.6 18.2 5.7 15 7 3 2 26.346 52.691 1.73571 1058.2 23.9 23.3 5.8 16 8 0 0 26.8 53.601 1.70837 326.8 7.4 7.2 5.8 17 7 4 1 27.25 54.5 1.68229 103.0 2.3 2.3 5.8 18 6 5 3 28.135 56.269 1.63352 148.9 3.4 3.3 5.8 19 8 3 1 29.001 58.003 1.58876 108.4 2.4 2.4 5.8 20 7 5 2 29.852 59.704 1.54748 252.1 5.7 5.5 5.8 21 8 4 0 30.272 60.544 1.52802 395.5 8.9 8.6 5.8 22 7 6 1 31.511 63.023 1.47375 206.9 4.7 4.5 5.9 23 7 6 3 33.123 66.246 1.40964 354.5 8.0 7.7 5.9 24 4 4 8 33.519 67.039 1.39488 132.3 3.0 2.9 5.9 25 8 6 0 34.306 68.611 1.3667 56.2 1.3 1.2 5.9 26 7 7 2 34.695 69.391 1.35323 497.6 11.3 10.7 5.9 27 10 3 1 36.236 72.472 1.3031 459.3 10.4 9.8 5.9 28 8 7 1 36.997 73.993 1.28003 105.8 2.4 2.3 6.0 29 3 3 10 37.751 75.502 1.25815 127.4 2.9 2.7 6.0 30 10 5 1 39.246 78.491 1.21755 292.0 6.6 6.2 6.0 31 8 8 0 39.617 79.233 1.208 78.1 1.8 1.6 6.0 32 10 5 3 40.724 81.449 1.18065 383.0 8.7 8.0 6.1 33 8 7 5 41.459 82.918 1.16341 55.3 1.3 1.2 6.1 34 8 8 4 42.557 85.115 1.13892 129.8 2.9 2.7 6.1 35 5 5 10 43.652 87.303 1.11591 360.2 8.1 7.4 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) |