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 *** *********************** VISHNEVITE 1, K, f-feldspathoid, s-cancrinite, DF K(0.5)Na(0.76)[SiAlO(4)][SO(4)](0.13.0.33H(2)O Hexagonal P 6(3) Z = 6 R =0.063 NR =677 3 .7 .1992 Ref.Str.: Puscharovsky D.Ju., Yamnova N.A., Homyakov A.P.(1989) * Kristallogr., 34, 1, 67-70 Initial data from BDM-file Lattice parameters (cub. angs.,degr.): a = 12.839 alpha = 90.0 b = 12.839 beta = 90.0 c = 5.272 gamma = 120.0 Unit cell volume (cub. angs.) = 752.61 Molar volume ( cub.cm/mol.) = 75.55 Co-ordinates, thermal parameters, occupation for atomic positions: NoP x/a y/b z/c B(j) atom / occupation 1 0.3333 0.6667 0.132 2.5 Na = 1.00 2 0.156 0.3149 0.79 0.8 Na = 0.43, Na = 0.0 3 0.2225 0.1126 0.294 1.6 K = 0.5 , K = 0.0 4 0.4154 0.0841 0.76 0.61 Si = 1.00 5 0.416 0.3396 0.763 0.67 Al = 1.00 6 0.0 0.0 0.307 0.5 S = 0.13, S = 0.0 7 0.4032 0.2005 0.704 1.1 O = 1.00 8 0.5568 0.1275 0.746 1.9 O = 1.00 9 0.3292 0.3605 0.538 1.0 O = 1.00 10 0.3357 0.9813 0.559 1.5 O = 1.00 11 0.0 0.0 0.53 1.4 O = 0.13, O = 0.0 12 0.118 0.058 0.41 2.9 O = 0.39, O = 0.0 13 0.608 0.309 0.202 3.9 H(2)O = 0.27, H(2)O = 0.0 14 0.65 0.38 0.18 4.2 H(2)O = 0.06, H(2)O = 0.0 Co-ordinates for all atomic positions : No NoP x/a y/b z/c 1 1 0.3333 0.6667 0.132 2 2 0.156 0.3149 0.79 3 3 0.2225 0.1126 0.294 4 4 0.4154 0.0841 0.76 5 5 0.416 0.3396 0.763 6 6 0.0 0.0 0.307 7 7 0.4032 0.2005 0.704 8 8 0.5568 0.1275 0.746 9 9 0.3292 0.3605 0.538 10 10 0.3357 0.9813 0.559 11 11 0.0 0.0 0.53 12 12 0.118 0.058 0.41 13 13 0.608 0.309 0.202 14 14 0.65 0.38 0.18 15 2 0.6851 0.8411 0.79 16 2 0.1589 0.844 0.79 17 3 0.8874 0.1099 0.294 18 3 0.8901 0.7775 0.294 19 4 0.9159 0.3313 0.76 20 4 0.6687 0.5846 0.76 21 5 0.6604 0.0764 0.763 22 5 0.9236 0.584 0.763 23 7 0.7995 0.2027 0.704 24 7 0.7973 0.5968 0.704 25 8 0.8725 0.4293 0.746 26 8 0.5707 0.4432 0.746 27 9 0.6395 0.9687 0.538 28 9 0.0313 0.6708 0.538 29 10 0.0187 0.3544 0.559 30 10 0.6456 0.6643 0.559 31 12 0.942 0.06 0.41 32 12 0.94 0.882 0.41 33 13 0.691 0.299 0.202 34 13 0.701 0.392 0.202 35 14 0.62 0.27 0.18 36 14 0.73 0.35 0.18 37 1 0.6667 0.3333 0.632 38 2 0.844 0.6851 0.29 39 3 0.7775 0.8874 0.794 40 4 0.5846 0.9159 0.26 41 5 0.584 0.6604 0.263 42 6 0.0 0.0 0.807 43 7 0.5968 0.7995 0.204 44 8 0.4432 0.8725 0.246 45 9 0.6708 0.6395 0.038 46 10 0.6643 0.0187 0.059 47 11 0.0 0.0 0.03 48 12 0.882 0.942 0.91 49 13 0.392 0.691 0.702 50 14 0.35 0.62 0.68 51 2 0.3149 0.1589 0.29 52 2 0.8411 0.156 0.29 53 3 0.1126 0.8901 0.794 54 3 0.1099 0.2225 0.794 55 4 0.0841 0.6687 0.26 56 4 0.3313 0.4154 0.26 57 5 0.3396 0.9236 0.263 58 5 0.0764 0.416 0.263 59 7 0.2005 0.7973 0.204 60 7 0.2027 0.4032 0.204 61 8 0.1275 0.5707 0.246 62 8 0.4293 0.5568 0.246 63 9 0.3605 0.0313 0.038 64 9 0.9687 0.3292 0.038 65 10 0.9813 0.6456 0.059 66 10 0.3544 0.3357 0.059 67 12 0.058 0.94 0.91 68 12 0.06 0.118 0.91 69 13 0.309 0.701 0.702 70 13 0.299 0.608 0.702 71 14 0.38 0.73 0.68 72 14 0.27 0.65 0.68 X-ray density (g/cm cub.) = 2.26 MU (1/cm) = 97.202 Mass attenuation coefficient (cm**2/g) = 43.096 Selected interatomic distances (cation-anion,anion-anion): NoP Atom Rad.sph. C.N. Distance NoP N. (angs.) (angs.) 1 Na 2.976 12 2.954 7 2.3679 8 2.3598 13 2.4923 14 2.954 7 2.954 7 2.3679 8 2.3679 8 2.3598 13 2.3598 13 2.4923 14 2.4923 14 2 Na ,Na 2.976 6 2.3981 9 2.3961 10 2.3935 7 2.8228 9 2.8089 10 2.2791 12 3 K ,K 3.396 11 2.9513 7 3.0498 9 3.0588 10 2.7693 11 1.3134 12 3.3715 12 2.8386 11 2.8105 9 2.7851 10 2.9647 12 2.9328 12 4 Si 2.268 4 1.606 7 1.6125 8 1.6004 10 1.6206 9 5 Al 2.484 4 1.7377 7 1.7378 9 1.7552 8 1.7389 10 6 S ,S 2.148 5 1.1757 11 1.42 12 1.4199 12 1.42 12 1.4603 11 7 O 3.432 6 2.5816 8 2.8 9 2.6109 10 2.7717 8 2.6323 9 2.8278 10 8 O 3.432 10 2.5816 7 2.688 10 3.1796 13 2.7717 7 2.9415 9 3.1308 13 2.7849 14 3.3801 14 2.9167 10 2.671 9 9 O 3.432 7 2.8 7 2.9415 8 3.2928 14 2.6325 7 2.671 8 2.8024 10 2.5857 10 10 O 3.432 6 2.6109 7 2.688 8 2.9167 8 2.8276 7 2.5858 9 2.8024 9 11 O ,O 3.432 8 1.4566 12 1.4565 12 1.4566 12 2.636 11 2.636 11 2.3948 12 2.3947 12 2.3948 12 12 O ,O 3.432 8 1.4566 11 2.2725 12 2.2725 12 2.3948 11 2.9445 12 2.9445 12 2.9445 12 2.9445 12 13 H(2)O,H(2)O 3.6 13 3.4922 7 3.4763 7 3.5434 8 3.1796 8 0.8023 14 3.4997 8 3.1308 8 1.1354 13 1.1354 13 0.6043 14 1.3856 14 3.4967 9 3.522 10 14 H(2)O,H(2)O 3.6 10 0.8023 13 3.5154 7 3.4624 8 3.3801 8 2.7849 8 1.3856 13 0.6043 13 1.2646 14 1.2646 14 3.2928 9 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 3.972 7.945 0.045 413.74 6 9.9 42.8 2 1 1 0 6.892 13.783 0.078 135.95 6 58.0 484.7 3 2 0 0 7.964 15.928 0.09 101.24 6 9.0 8.8 4 1 0 1 9.306 18.611 0.105 73.56 12 67.3 705.5 5 1 2 0 10.561 21.123 0.119 56.63 6 5.5 1.8 6 2 1 0 10.561 21.123 0.119 56.63 6 29.4 51.9 7 1 1 1 10.898 21.796 0.123 53.05 12 9.7 10.6 8 2 0 1 11.616 23.233 0.131 46.44 12 6.5 4.1 9 3 0 0 11.995 23.99 0.135 43.42 6 85.1 332.8 10 1 2 1 13.556 27.112 0.152 33.56 12 83.0 489.3 11 2 1 1 13.556 27.112 0.152 33.56 12 80.0 455.4 12 2 2 0 13.885 27.771 0.156 31.89 6 12.5 5.3 13 1 3 0 14.465 28.929 0.162 29.23 6 26.1 21.0 14 3 1 0 14.465 28.929 0.162 29.23 6 24.5 18.5 15 3 0 1 14.717 29.434 0.165 28.17 12 38.6 88.9 16 4 0 0 16.088 32.175 0.18 23.26 6 119.8 353.5 17 2 2 1 16.318 32.635 0.182 22.56 12 3.8 0.7 18 1 3 1 16.821 33.641 0.188 21.12 12 63.2 178.8 19 3 1 1 16.821 33.641 0.188 21.12 12 52.1 121.3 20 0 0 2 16.991 33.981 0.19 20.67 2 180.3 237.1 21 1 0 2 17.477 34.953 0.195 19.43 12 39.6 64.7 22 2 3 0 17.576 35.152 0.196 19.19 6 31.6 20.3 23 3 2 0 17.576 35.152 0.196 19.19 6 24.2 11.9 24 4 0 1 18.256 36.512 0.203 17.66 12 61.1 139.6 25 1 1 2 18.415 36.829 0.205 17.33 12 15.2 8.5 26 1 4 0 18.51 37.019 0.206 17.13 6 21.6 8.4 27 4 1 0 18.51 37.019 0.206 17.13 6 12.8 3.0 28 2 0 2 18.869 37.737 0.21 16.42 12 14.8 7.7 29 2 3 1 19.601 39.201 0.218 15.1 12 32.4 33.6 30 3 2 1 19.601 39.201 0.218 15.1 12 35.3 39.8 31 1 2 2 20.178 40.356 0.224 14.15 12 7.1 1.5 32 2 1 2 20.178 40.356 0.224 14.15 12 11.3 3.8 33 5 0 0 20.266 40.533 0.225 14.02 6 0.9 0.0 34 1 4 1 20.455 40.91 0.227 13.73 12 22.4 14.6 35 4 1 1 20.455 40.91 0.227 13.73 12 19.1 10.7 36 3 0 2 21.013 42.027 0.233 12.93 12 63.8 111.6 37 3 3 0 21.098 42.197 0.234 12.81 6 103.0 144.0 38 2 4 0 21.505 43.009 0.238 12.28 6 7.9 0.8 39 4 2 0 21.505 43.009 0.238 12.28 6 1.2 0.0 40 5 0 1 22.082 44.164 0.244 11.57 12 21.8 11.7 41 2 2 2 22.218 44.436 0.245 11.41 12 16.9 6.9 42 1 3 2 22.608 45.216 0.25 10.97 12 10.0 2.3 43 3 1 2 22.608 45.216 0.25 10.97 12 11.9 3.3 44 1 5 0 22.688 45.376 0.25 10.88 6 15.9 2.9 45 5 1 0 22.688 45.376 0.25 10.88 6 20.0 4.6 46 3 3 1 22.861 45.722 0.252 10.7 12 3.4 0.3 47 2 4 1 23.242 46.485 0.256 10.3 12 5.1 0.6 48 4 2 1 23.242 46.485 0.256 10.3 12 7.8 1.3 49 4 0 2 23.748 47.496 0.261 9.81 12 68.6 97.8 50 1 5 1 24.36 48.719 0.268 9.26 12 30.6 18.3 51 5 1 1 24.36 48.719 0.268 9.26 12 26.2 13.4 52 6 0 0 24.561 49.122 0.27 9.09 6 1.5 0.0 53 2 3 2 24.848 49.696 0.273 8.85 12 28.5 15.2 54 3 2 2 24.848 49.696 0.273 8.85 12 34.4 22.1 55 3 4 0 24.923 49.845 0.274 8.79 6 8.2 0.6 56 4 3 0 24.923 49.845 0.274 8.79 6 21.0 4.1 57 1 4 2 25.561 51.123 0.28 8.3 12 46.7 38.3 58 4 1 2 25.561 51.123 0.28 8.3 12 40.1 28.3 59 2 5 0 25.635 51.269 0.281 8.25 6 57.1 28.4 60 5 2 0 25.635 51.269 0.281 8.25 6 39.3 13.5 61 6 0 1 26.142 52.283 0.286 7.89 12 22.4 8.4 62 1 0 3 26.344 52.689 0.288 7.75 12 35.8 21.0 63 3 4 1 26.488 52.975 0.29 7.65 12 33.5 18.2 64 4 3 1 26.488 52.975 0.29 7.65 12 42.8 29.8 65 5 0 2 26.948 53.896 0.294 7.36 12 21.5 7.2 66 1 6 0 27.018 54.037 0.295 7.32 6 14.2 1.6 67 6 1 0 27.018 54.037 0.295 7.32 6 9.9 0.8 68 1 1 3 27.03 54.059 0.295 7.31 12 7.8 0.9 69 2 5 1 27.17 54.341 0.296 7.22 12 32.5 16.2 70 5 2 1 27.17 54.341 0.296 7.22 12 26.6 10.8 71 2 0 3 27.368 54.736 0.298 7.1 12 37.7 21.4 72 3 3 2 27.623 55.246 0.301 6.96 12 31.8 14.9 73 2 4 2 27.956 55.912 0.304 6.77 12 14.9 3.2 74 4 2 2 27.956 55.912 0.304 6.77 12 20.2 5.8 75 1 2 3 28.366 56.732 0.308 6.55 12 60.8 51.4 76 2 1 3 28.366 56.732 0.308 6.55 12 62.2 53.7 77 1 6 1 28.502 57.005 0.31 6.48 12 40.9 22.9 78 6 1 1 28.502 57.005 0.31 6.48 12 43.9 26.4 79 4 4 0 28.683 57.366 0.312 6.39 6 110.1 82.1 80 1 5 2 28.941 57.882 0.314 6.26 12 21.0 5.8 81 5 1 2 28.941 57.882 0.314 6.26 12 7.7 0.8 82 3 5 0 29.008 58.017 0.315 6.23 6 13.1 1.1 83 5 3 0 29.008 58.017 0.315 6.23 6 26.4 4.6 84 7 0 0 29.008 58.017 0.315 6.23 6 24.1 3.8 85 3 0 3 29.019 58.038 0.315 6.22 12 13.8 2.5 86 2 6 0 29.971 59.942 0.324 5.79 6 20.0 2.5 87 6 2 0 29.971 59.942 0.324 5.79 6 15.0 1.4 88 2 2 3 29.981 59.963 0.324 5.78 12 10.5 1.4 89 4 4 1 30.113 60.226 0.326 5.73 12 6.5 0.5 90 1 3 3 30.298 60.596 0.327 5.65 12 35.8 15.3 91 3 1 3 30.298 60.596 0.327 5.65 12 24.8 7.4 92 3 5 1 30.429 60.858 0.329 5.59 12 32.8 12.8 93 5 3 1 30.429 60.858 0.329 5.59 12 46.8 25.9 94 7 0 1 30.429 60.858 0.329 5.59 12 53.5 34.0 95 6 0 2 30.537 61.074 0.33 5.55 12 66.4 51.9 96 3 4 2 30.85 61.701 0.333 5.43 12 14.6 2.4 97 4 3 2 30.85 61.701 0.333 5.43 12 9.4 1.0 98 4 0 3 31.236 62.473 0.337 5.28 12 66.0 48.7 99 2 6 1 31.365 62.73 0.338 5.23 12 31.1 10.7 100 6 2 1 31.365 62.73 0.338 5.23 12 30.2 10.1 101 2 5 2 31.471 62.943 0.339 5.19 12 28.2 8.8 102 5 2 2 31.471 62.943 0.339 5.19 12 15.3 2.6 103 1 7 0 31.536 63.071 0.34 5.17 6 43.3 10.3 104 7 1 0 31.536 63.071 0.34 5.17 6 24.6 3.3 105 2 3 3 32.159 64.318 0.346 4.95 12 31.2 10.2 106 3 2 3 32.159 64.318 0.346 4.95 12 33.4 11.7 107 1 6 2 32.694 65.387 0.351 4.78 12 11.6 1.4 108 6 1 2 32.694 65.387 0.351 4.78 12 9.9 1.0 109 4 5 0 32.756 65.513 0.351 4.76 6 13.5 0.9 110 5 4 0 32.756 65.513 0.351 4.76 6 8.4 0.4 111 1 4 3 32.766 65.533 0.351 4.76 12 12.8 1.6 112 4 1 3 32.766 65.533 0.351 4.76 12 19.6 3.9 113 1 7 1 32.892 65.783 0.353 4.72 12 4.3 0.2 114 7 1 1 32.892 65.783 0.353 4.72 12 5.9 0.3 115 3 6 0 33.358 66.716 0.357 4.58 6 28.9 4.0 116 6 3 0 33.358 66.716 0.357 4.58 6 21.4 2.2 117 8 0 0 33.657 67.313 0.36 4.49 6 45.2 9.7 118 5 0 3 33.964 67.927 0.363 4.41 12 14.6 2.0 119 4 5 1 34.087 68.174 0.364 4.38 12 18.9 3.3 120 5 4 1 34.087 68.174 0.364 4.38 12 25.4 6.0 121 4 4 2 34.189 68.377 0.365 4.35 12 103.7 99.0 122 3 5 2 34.484 68.968 0.368 4.27 12 14.4 1.9 123 5 3 2 34.484 68.968 0.368 4.27 12 33.0 9.9 124 7 0 2 34.484 68.968 0.368 4.27 12 13.0 1.5 125 2 7 0 34.545 69.09 0.368 4.26 6 10.9 0.5 126 7 2 0 34.545 69.09 0.368 4.26 6 25.1 2.8 127 3 3 3 34.555 69.109 0.368 4.25 12 4.1 0.1 128 3 6 1 34.677 69.354 0.369 4.22 12 7.7 0.5 129 6 3 1 34.677 69.354 0.369 4.22 12 4.3 0.2 130 2 4 3 34.848 69.697 0.371 4.18 12 23.3 4.8 131 4 2 3 34.848 69.697 0.371 4.18 12 14.2 1.8 132 8 0 1 34.97 69.94 0.372 4.15 12 99.3 86.7 133 2 6 2 35.363 70.725 0.376 4.06 12 11.6 1.2 134 6 2 2 35.363 70.725 0.376 4.06 12 15.4 2.0 135 1 5 3 35.723 71.446 0.379 3.98 12 30.2 7.7 136 5 1 3 35.723 71.446 0.379 3.98 12 28.2 6.7 137 0 0 4 35.763 71.526 0.379 3.97 2 133.9 25.1 138 2 7 1 35.844 71.687 0.38 3.95 12 11.1 1.0 139 7 2 1 35.844 71.687 0.38 3.95 12 19.2 3.1 140 1 0 4 36.052 72.104 0.382 3.91 12 16.2 2.2 141 1 8 0 36.292 72.584 0.384 3.86 6 6.9 0.2 142 8 1 0 36.292 72.584 0.384 3.86 6 5.0 0.1 143 1 1 4 36.628 73.257 0.387 3.79 12 49.7 19.8 144 1 7 2 36.807 73.614 0.389 3.76 12 44.6 15.8 145 7 1 2 36.807 73.614 0.389 3.76 12 30.9 7.6 146 5 5 0 36.867 73.733 0.389 3.75 6 16.9 1.1 147 2 0 4 36.915 73.83 0.39 3.74 12 16.1 2.0 148 4 6 0 37.153 74.305 0.392 3.69 6 11.9 0.6 149 6 4 0 37.153 74.305 0.392 3.69 6 13.2 0.7 150 6 0 3 37.162 74.324 0.392 3.69 12 18.3 2.6 151 3 4 3 37.447 74.894 0.395 3.64 12 34.4 9.1 152 4 3 3 37.447 74.894 0.395 3.64 12 43.6 14.6 153 1 8 1 37.565 75.131 0.396 3.62 12 38.0 11.1 154 8 1 1 37.565 75.131 0.396 3.62 12 20.7 3.3 155 1 2 4 37.77 75.541 0.398 3.58 12 9.7 0.7 156 2 1 4 37.77 75.541 0.398 3.58 12 20.7 3.2 157 4 5 2 37.947 75.894 0.399 3.55 12 14.7 1.6 158 5 4 2 37.947 75.894 0.399 3.55 12 23.2 4.1 159 3 7 0 38.006 76.012 0.4 3.54 6 13.4 0.7 160 7 3 0 38.006 76.012 0.4 3.54 6 26.1 2.5 161 2 5 3 38.015 76.031 0.4 3.54 12 7.5 0.4 162 5 2 3 38.015 76.031 0.4 3.54 12 17.5 2.3 163 5 5 1 38.133 76.266 0.401 3.52 12 5.7 0.2 164 3 0 4 38.337 76.674 0.403 3.49 12 28.2 5.9 165 4 6 1 38.416 76.831 0.403 3.48 12 14.2 1.5 166 6 4 1 38.416 76.831 0.403 3.48 12 11.3 0.9 167 3 6 2 38.513 77.026 0.404 3.46 12 67.6 33.5 168 6 3 2 38.513 77.026 0.404 3.46 12 61.1 27.4 169 9 0 0 38.571 77.143 0.405 3.45 6 66.5 16.2 170 8 0 2 38.795 77.589 0.407 3.42 12 42.9 13.3 171 1 6 3 39.143 78.287 0.41 3.37 12 36.9 9.7 172 6 1 3 39.143 78.287 0.41 3.37 12 45.8 15.0 173 2 2 4 39.182 78.364 0.41 3.36 12 31.7 7.2 174 3 7 1 39.26 78.52 0.411 3.35 12 48.0 16.3 175 7 3 1 39.26 78.52 0.411 3.35 12 54.4 21.0 176 2 8 0 39.415 78.83 0.412 3.33 6 22.3 1.8 177 8 2 0 39.415 78.83 0.412 3.33 6 21.0 1.6 178 1 3 4 39.462 78.925 0.413 3.32 12 4.3 0.1 179 3 1 4 39.462 78.925 0.413 3.32 12 1.6 0.0 180 2 7 2 39.637 79.274 0.414 3.3 12 6.3 0.3 181 7 2 2 39.637 79.274 0.414 3.3 12 25.3 4.5 182 9 0 1 39.82 79.64 0.416 3.28 12 6.9 0.3 183 4 0 4 40.301 80.601 0.42 3.22 12 49.5 16.7 184 4 4 3 40.541 81.082 0.422 3.19 12 1.7 0.0 185 2 8 1 40.657 81.313 0.423 3.18 12 5.8 0.2 186 8 2 1 40.657 81.313 0.423 3.18 12 21.1 3.0 187 3 5 3 40.819 81.638 0.424 3.16 12 20.9 2.9 188 5 3 3 40.819 81.638 0.424 3.16 12 27.4 5.0 189 7 0 3 40.819 81.638 0.424 3.16 12 48.0 15.4 190 2 3 4 41.135 82.27 0.427 3.12 12 39.6 10.4 191 3 2 4 41.135 82.27 0.427 3.12 12 36.3 8.7 192 1 8 2 41.308 82.615 0.428 3.11 12 8.8 0.5 193 8 1 2 41.308 82.615 0.428 3.11 12 12.5 1.0 194 1 9 0 41.365 82.731 0.429 3.1 6 18.7 1.1 195 5 6 0 41.365 82.731 0.429 3.1 6 15.2 0.8 196 6 5 0 41.365 82.731 0.429 3.1 6 26.4 2.3 197 9 1 0 41.365 82.731 0.429 3.1 6 22.5 1.7 198 2 6 3 41.651 83.303 0.431 3.07 12 33.4 7.2 199 6 2 3 41.651 83.303 0.431 3.07 12 29.6 5.7 200 1 4 4 41.689 83.378 0.432 3.07 12 13.7 1.2 201 4 1 4 41.689 83.378 0.432 3.07 12 10.1 0.7 202 5 5 2 41.862 83.723 0.433 3.05 12 15.4 1.5 203 4 7 0 41.919 83.838 0.434 3.05 6 33.3 3.6 204 7 4 0 41.919 83.838 0.434 3.05 6 25.2 2.0 205 4 6 2 42.138 84.276 0.436 3.03 12 24.0 3.7 206 6 4 2 42.138 84.276 0.436 3.03 12 23.5 3.5 207 1 9 1 42.595 85.191 0.439 2.99 12 15.8 1.6 208 5 6 1 42.595 85.191 0.439 2.99 12 20.1 2.6 209 6 5 1 42.595 85.191 0.439 2.99 12 25.5 4.1 210 9 1 1 42.595 85.191 0.439 2.99 12 22.5 3.2 211 5 0 4 42.794 85.589 0.441 2.97 12 14.6 1.3 212 3 7 2 42.966 85.932 0.442 2.96 12 13.1 1.1 213 7 3 2 42.966 85.932 0.442 2.96 12 11.7 0.9 214 3 8 0 43.023 86.047 0.443 2.95 6 3.2 0.0 215 8 3 0 43.023 86.047 0.443 2.95 6 1.4 0.0 216 1 7 3 43.032 86.065 0.443 2.95 12 3.7 0.1 217 7 1 3 43.032 86.065 0.443 2.95 12 2.6 0.0 218 4 7 1 43.147 86.294 0.444 2.94 12 4.7 0.1 219 7 4 1 43.147 86.294 0.444 2.94 12 2.8 0.0 220 3 3 4 43.345 86.691 0.446 2.93 12 20.3 2.6 221 9 0 2 43.517 87.034 0.447 2.92 12 31.4 6.1 222 2 4 4 43.621 87.242 0.448 2.91 12 21.6 2.9 223 4 2 4 43.621 87.242 0.448 2.91 12 17.2 1.8 224 10 0 0 43.849 87.699 0.45 2.89 6 9.7 0.3 225 4 5 3 44.134 88.267 0.452 2.88 12 7.5 0.3 226 5 4 3 44.134 88.267 0.452 2.88 12 10.4 0.7 227 3 8 1 44.248 88.496 0.453 2.87 12 17.4 1.8 228 8 3 1 44.248 88.496 0.453 2.87 12 27.4 4.6 229 2 8 2 44.343 88.685 0.454 2.86 12 12.7 1.0 230 8 2 2 44.343 88.685 0.454 2.86 12 15.9 1.5 231 1 5 4 44.446 88.893 0.455 2.86 12 16.8 1.7 232 5 1 4 44.446 88.893 0.455 2.86 12 24.4 3.6 233 2 9 0 44.675 89.349 0.456 2.85 6 21.5 1.4 234 9 2 0 44.675 89.349 0.456 2.85 6 21.7 1.4 235 3 6 3 44.684 89.367 0.456 2.84 12 6.6 0.3 236 6 3 3 44.684 89.367 0.456 2.84 12 11.0 0.7 237 8 0 3 44.959 89.917 0.459 2.83 12 59.6 21.3 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 3.972 7.945 11.1189 42.8 4.5 4.6 5.6 2 1 1 0 6.892 13.783 6.4195 484.7 51.3 51.8 5.6 3 1 0 1 9.306 18.611 4.76365 705.5 74.7 75.1 5.6 4 2 1 0 10.561 21.123 4.20255 53.8 5.7 5.7 5.6 5 1 1 1 10.898 21.796 4.07417 10.6 1.1 1.1 5.6 6 3 0 0 11.995 23.99 3.7063 332.8 35.2 35.3 5.6 7 1 2 1 13.556 27.112 3.28621 944.7 100.0 100.0 5.6 8 1 3 0 14.465 28.929 3.08383 39.6 4.2 4.2 5.6 9 3 0 1 14.717 29.434 3.03202 88.9 9.4 9.4 5.6 10 4 0 0 16.088 32.175 2.77973 353.5 37.4 37.3 5.6 11 1 3 1 16.821 33.641 2.66188 300.1 31.8 31.6 5.7 12 0 0 2 16.991 33.981 2.636 237.1 25.1 25.0 5.7 13 1 0 2 17.477 34.953 2.56491 64.7 6.8 6.8 5.7 14 2 3 0 17.576 35.152 2.55085 32.2 3.4 3.4 5.7 15 4 0 1 18.256 36.512 2.45887 139.6 14.8 14.7 5.7 16 1 4 0 18.51 37.019 2.42634 11.4 1.2 1.2 5.7 17 3 2 1 19.601 39.201 2.29619 73.4 7.8 7.7 5.7 18 1 4 1 20.455 40.91 2.20412 25.3 2.7 2.6 5.7 19 3 0 2 21.013 42.027 2.14811 111.6 11.8 11.7 5.7 20 3 3 0 21.098 42.197 2.13983 144.0 15.2 15.0 5.7 21 5 0 1 22.082 44.164 2.04896 11.7 1.2 1.2 5.7 22 4 0 2 23.748 47.496 1.91273 97.8 10.4 10.2 5.7 23 1 5 1 24.36 48.719 1.86752 31.8 3.4 3.3 5.7 24 3 2 2 24.848 49.696 1.83309 37.3 4.0 3.9 5.7 25 1 4 2 25.561 51.123 1.78521 66.6 7.0 6.9 5.8 26 2 5 0 25.635 51.269 1.78045 41.9 4.4 4.3 5.8 27 1 0 3 26.344 52.689 1.73579 21.0 2.2 2.2 5.8 28 4 3 1 26.488 52.975 1.72707 47.9 5.1 4.9 5.8 29 2 5 1 27.17 54.341 1.68685 27.0 2.9 2.8 5.8 30 2 0 3 27.368 54.736 1.67561 21.4 2.3 2.2 5.8 31 3 3 2 27.623 55.246 1.66135 14.9 1.6 1.5 5.8 32 2 1 3 28.366 56.732 1.62129 105.1 11.1 10.8 5.8 33 6 1 1 28.502 57.005 1.61418 49.4 5.2 5.1 5.8 34 4 4 0 28.683 57.366 1.60488 82.1 8.7 8.4 5.8 35 3 0 3 29.019 58.038 1.58788 12.1 1.3 1.2 5.8 36 1 3 3 30.298 60.596 1.52683 22.7 2.4 2.3 5.8 37 7 0 1 30.429 60.858 1.52088 72.7 7.7 7.4 5.8 38 6 0 2 30.537 61.074 1.51601 51.9 5.5 5.3 5.8 39 4 0 3 31.236 62.473 1.48539 48.7 5.2 5.0 5.8 40 2 6 1 31.365 62.73 1.47992 20.8 2.2 2.1 5.9 41 2 5 2 31.471 62.943 1.47542 11.3 1.2 1.2 5.9 42 1 7 0 31.536 63.071 1.47273 13.6 1.4 1.4 5.9 43 3 2 3 32.159 64.318 1.44716 21.9 2.3 2.2 5.9 44 8 0 0 33.657 67.313 1.38986 9.7 1.0 1.0 5.9 45 4 4 2 34.189 68.377 1.3708 99.0 10.5 10.0 5.9 46 5 3 2 34.484 68.968 1.3605 13.3 1.4 1.3 5.9 47 8 0 1 34.97 69.94 1.34394 86.7 9.2 8.7 5.9 48 1 5 3 35.723 71.446 1.31927 14.4 1.5 1.4 5.9 49 0 0 4 35.763 71.526 1.318 25.1 2.7 2.5 5.9 50 1 1 4 36.628 73.257 1.29107 19.8 2.1 2.0 6.0 51 1 7 2 36.807 73.614 1.28568 23.4 2.5 2.3 6.0 52 4 3 3 37.447 74.894 1.26685 23.8 2.5 2.4 6.0 53 1 8 1 37.565 75.131 1.26345 14.4 1.5 1.4 6.0 54 3 6 2 38.513 77.026 1.23702 60.9 6.4 6.0 6.0 55 9 0 0 38.571 77.143 1.23543 16.2 1.7 1.6 6.0 56 8 0 2 38.795 77.589 1.22943 13.3 1.4 1.3 6.0 57 6 1 3 39.143 78.287 1.22022 24.7 2.6 2.4 6.0 58 7 3 1 39.26 78.52 1.21718 37.3 4.0 3.7 6.0 59 4 0 4 40.301 80.601 1.19091 16.7 1.8 1.6 6.1 60 7 0 3 40.819 81.638 1.17838 23.4 2.5 2.3 6.1 61 2 3 4 41.135 82.27 1.17093 19.1 2.0 1.9 6.1 62 2 6 3 41.651 83.303 1.15902 13.0 1.4 1.3 6.1 63 9 1 1 42.595 85.191 1.13809 11.5 1.2 1.1 6.1 64 8 0 3 44.959 89.917 1.09013 21.3 2.3 2.0 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) |