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 *** *********************** INDIALITE 1, t-beryl, f-cordierite Mg(1.40)Fe(0.66)Al(4.11)Si(4.89)O(16) Hexagonal P 6/mcc Z = 2 R =0.061 NR =168 29 .1 .1990 Ref.Str.: E.P. Meagher, G.V. Gibbs (1977) * Canad. Mineral., 15, 43-49 Reserv: See U(jj) in the original Initial data from BDM-file Lattice parameters (cub. angs.,degr.): a = 9.8 alpha = 90.0 b = 9.8 beta = 90.0 c = 9.345 gamma = 120.0 Unit cell volume (cub. angs.) = 777.25 Molar volume ( cub.cm/mol.) = 234.08 Co-ordinates, thermal parameters, occupation for atomic positions: NoP x/a y/b z/c B(j) atom / occupation 1 0.3333 0.6667 0.25 1.8 Mg = 0.97, Fe = 0.03 2 0.5 0.5 0.25 0.9 Al = 0.72, Si = 0.28 3 0.3727 0.2668 0.0 1.16 Al = 0.3 , Si = 0.7 4 0.4851 0.3494 0.1445 1.4 O = 1.00 5 0.2305 0.3093 0.0 2.2 O = 1.00 Co-ordinates for all atomic positions : No NoP x/a y/b z/c 1 1 0.3333 0.6667 0.25 2 2 0.5 0.5 0.25 3 3 0.3727 0.2668 0.0 4 4 0.4851 0.3494 0.1445 5 5 0.2305 0.3093 0.0 6 2 0.5 0.0 0.25 7 2 0.0 0.5 0.25 8 3 0.7332 0.1059 0.0 9 3 0.8941 0.6273 0.0 10 4 0.6506 0.1357 0.1445 11 4 0.8643 0.5149 0.1445 12 5 0.6907 0.9212 0.0 13 5 0.0788 0.7695 0.0 14 1 0.6667 0.3333 0.25 15 3 0.6273 0.7332 0.0 16 4 0.5149 0.6506 0.1445 17 5 0.7695 0.6907 0.0 18 3 0.2668 0.8941 0.0 19 3 0.1059 0.3727 0.0 20 4 0.3494 0.8643 0.1445 21 4 0.1357 0.4851 0.1445 22 5 0.3093 0.0788 0.0 23 5 0.9212 0.2305 0.0 24 1 0.3333 0.6667 0.75 25 2 0.5 0.0 0.75 26 3 0.3727 0.1059 0.5 27 4 0.4851 0.1357 0.6445 28 5 0.2305 0.9212 0.5 29 2 0.5 0.5 0.75 30 2 0.0 0.5 0.75 31 3 0.7332 0.6273 0.5 32 3 0.8941 0.2668 0.5 33 4 0.6506 0.5149 0.6445 34 4 0.8643 0.3494 0.6445 35 5 0.6907 0.7695 0.5 36 5 0.0788 0.3093 0.5 37 1 0.6667 0.3333 0.75 38 3 0.6273 0.8941 0.5 39 4 0.5149 0.8643 0.6445 40 5 0.7695 0.0788 0.5 41 3 0.2668 0.3727 0.5 42 3 0.1059 0.7332 0.5 43 4 0.3494 0.4851 0.6445 44 4 0.1357 0.6506 0.6445 45 5 0.3093 0.2305 0.5 46 5 0.9212 0.6907 0.5 47 4 0.4851 0.3494 0.8555 48 4 0.6506 0.1357 0.8555 49 4 0.8643 0.5149 0.8555 50 4 0.5149 0.6506 0.8555 51 4 0.3494 0.8643 0.8555 52 4 0.1357 0.4851 0.8555 53 4 0.4851 0.1357 0.3555 54 4 0.6506 0.5149 0.3555 55 4 0.8643 0.3494 0.3555 56 4 0.5149 0.8643 0.3555 57 4 0.3494 0.4851 0.3555 58 4 0.1357 0.6506 0.3555 X-ray density (g/cm cub.) = 2.51 MU (1/cm) = 125.186 Mass attenuation coefficient (cm**2/g) = 49.938 Selected interatomic distances (cation-anion,anion-anion): NoP Atom Rad.sph. C.N. Distance NoP N. (angs.) (angs.) 1 Mg ,Fe 2.592 6 2.1079 4 2.1079 4 2.1079 4 2.1079 4 2.108 4 2.1079 4 2 Al ,Si 2.316 4 1.7193 4 1.7193 4 1.7193 4 1.7193 4 3 Al ,Si 2.316 4 1.6734 4 1.6419 5 1.6234 5 1.6734 4 4 O 3.264 9 2.6875 5 3.227 4 3.227 4 2.8171 4 2.6935 5 2.7007 4 2.8764 4 2.5532 4 3.032 4 5 O 3.264 6 2.6875 4 2.6936 4 2.7282 5 2.7284 5 2.6875 4 2.6936 4 X-ray diffraction powder data (II), X-Ray W.L. = 1.78892(angs.): No H K L Theta 2*Theta S LPG MF F I int. ( degree ) *100 1 1 0 0 6.05 12.099 0.059 177.09 6 86.3 1309.9 2 1 1 0 10.518 21.036 0.102 57.11 6 63.6 229.3 3 0 0 2 11.036 22.073 0.107 51.68 2 71.7 88.1 4 2 0 0 12.168 24.336 0.118 42.14 6 8.2 2.8 5 1 0 2 12.622 25.245 0.122 39.02 12 70.3 383.2 6 1 1 2 15.338 30.676 0.148 25.78 12 92.0 433.7 7 2 1 0 16.191 32.382 0.156 22.94 12 7.6 2.7 8 2 0 2 16.543 33.086 0.159 21.9 12 105.3 482.2 9 2 1 1 17.146 34.292 0.165 20.26 24 90.3 656.2 10 3 0 0 18.432 36.863 0.177 17.29 6 16.5 4.6 11 2 1 2 19.769 39.538 0.189 14.81 24 56.8 189.9 12 2 2 0 21.413 42.826 0.204 12.39 6 57.9 41.3 13 3 0 2 21.692 43.383 0.207 12.04 12 28.2 19.1 14 3 1 0 22.333 44.667 0.212 11.27 12 8.1 1.5 15 0 0 4 22.511 45.022 0.214 11.07 2 142.1 74.0 16 3 1 1 23.07 46.141 0.219 10.48 24 21.8 19.9 17 1 0 4 23.397 46.794 0.222 10.15 12 10.2 2.1 18 2 1 3 23.594 47.188 0.224 9.96 24 23.4 21.7 19 2 2 2 24.345 48.69 0.23 9.27 12 45.0 37.3 20 4 0 0 24.933 49.867 0.236 8.78 6 19.1 3.2 21 1 1 4 25.097 50.194 0.237 8.65 12 43.1 31.9 22 3 1 2 25.182 50.363 0.238 8.59 24 45.3 70.0 23 2 0 4 25.916 51.832 0.244 8.04 12 28.1 12.6 24 3 2 0 27.348 54.695 0.257 7.12 12 52.1 38.3 25 4 0 2 27.58 55.161 0.259 6.98 12 48.2 32.3 26 3 2 1 27.986 55.972 0.262 6.75 24 19.7 10.4 27 2 1 4 28.271 56.542 0.265 6.6 24 19.6 10.1 28 3 1 3 28.443 56.886 0.266 6.51 24 58.2 87.5 29 4 1 0 28.879 57.758 0.27 6.29 12 53.3 35.5 30 4 1 1 29.496 58.991 0.275 6.0 24 38.5 35.4 31 3 0 4 29.771 59.542 0.278 5.87 12 64.8 49.0 32 3 2 2 29.847 59.693 0.278 5.84 24 3.1 0.2 33 4 1 2 31.3 62.6 0.29 5.25 24 24.0 12.0 34 5 0 0 31.8 63.6 0.295 5.07 6 108.6 59.5 35 2 2 4 31.94 63.88 0.296 5.03 12 125.6 157.5 36 3 1 4 32.644 65.289 0.302 4.79 24 27.6 14.5 37 3 2 3 32.803 65.606 0.303 4.75 24 29.7 16.7 38 3 3 0 33.204 66.409 0.306 4.62 6 61.8 17.5 39 2 1 5 33.634 67.268 0.31 4.5 24 25.1 11.2 40 4 2 0 33.895 67.791 0.312 4.43 12 58.3 29.9 41 5 0 2 34.101 68.201 0.313 4.37 12 2.5 0.1 42 4 1 3 34.186 68.371 0.314 4.35 24 62.7 67.9 43 4 2 1 34.46 68.92 0.316 4.28 24 2.8 0.1 44 4 0 4 34.713 69.427 0.318 4.21 12 29.3 7.2 45 0 0 6 35.05 70.1 0.321 4.13 2 106.7 15.6 46 3 3 2 35.459 70.918 0.324 4.04 12 47.4 18.0 47 1 0 6 35.724 71.448 0.326 3.98 12 17.3 2.4 48 5 1 0 35.93 71.86 0.328 3.93 12 14.8 1.7 49 4 2 2 36.13 72.26 0.33 3.89 24 10.9 1.8 50 5 1 1 36.48 72.961 0.332 3.82 24 11.8 2.1 51 3 2 4 36.728 73.456 0.334 3.77 24 58.7 51.6 52 1 1 6 37.057 74.113 0.337 3.71 12 52.7 20.5 53 3 1 5 37.668 75.337 0.342 3.6 24 23.5 7.9 54 2 0 6 37.716 75.433 0.342 3.59 12 53.6 20.5 55 4 1 4 38.047 76.094 0.345 3.54 24 20.0 5.6 56 5 1 2 38.114 76.228 0.345 3.53 24 57.1 45.6 57 4 2 3 38.848 77.697 0.351 3.41 24 17.7 4.3 58 6 0 0 39.223 78.447 0.353 3.36 6 62.1 12.9 59 2 1 6 39.673 79.346 0.357 3.3 24 48.6 30.9 60 4 3 0 39.872 79.743 0.358 3.27 12 19.3 2.4 61 4 3 1 40.404 80.808 0.362 3.21 24 2.8 0.1 62 5 0 4 40.644 81.288 0.364 3.18 12 30.3 5.8 63 5 1 3 40.79 81.579 0.365 3.16 24 9.0 1.0 64 3 0 6 40.963 81.926 0.366 3.14 12 1.2 0.0 65 5 2 0 41.16 82.321 0.368 3.12 12 54.6 18.5 66 6 0 2 41.352 82.705 0.369 3.1 12 116.0 82.9 67 3 2 5 41.558 83.116 0.371 3.08 24 18.7 4.3 68 5 2 1 41.689 83.379 0.372 3.07 24 57.2 39.9 69 3 3 4 41.928 83.855 0.374 3.04 12 10.4 0.6 70 4 3 2 41.993 83.986 0.374 3.04 24 0.4 0.0 71 4 2 4 42.567 85.134 0.378 2.99 24 69.0 56.5 72 4 1 5 42.837 85.675 0.38 2.97 24 41.1 19.9 73 2 2 6 42.884 85.768 0.38 2.96 12 61.4 22.2 74 5 2 2 43.27 86.541 0.383 2.93 24 41.1 19.7 75 3 1 6 43.521 87.043 0.385 2.92 24 39.6 18.2 76 6 1 0 43.717 87.434 0.386 2.9 12 34.3 6.8 77 6 1 1 44.242 88.484 0.39 2.87 24 0.5 0.0 78 5 1 4 44.479 88.958 0.392 2.86 24 15.6 2.8 79 4 3 3 44.623 89.246 0.393 2.85 24 58.3 38.4 X-ray diffraction powder data (I)...X-Ray wave length = 1.78892 (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 6.05 12.099 8.48705 1309.9 100.0 100.0 5.6 2 1 1 0 10.518 21.036 4.9 229.3 17.5 17.4 5.6 3 0 0 2 11.036 22.073 4.6725 88.1 6.7 6.7 5.6 4 1 0 2 12.622 25.245 4.09318 383.2 29.3 29.0 5.6 5 1 1 2 15.338 30.676 3.38152 433.7 33.1 32.7 5.6 6 2 0 2 16.543 33.086 3.14136 482.2 36.8 36.3 5.6 7 2 1 1 17.146 34.292 3.03403 656.2 50.1 49.3 5.7 8 2 1 2 19.769 39.538 2.64456 189.9 14.5 14.2 5.7 9 2 2 0 21.413 42.826 2.45 41.3 3.2 3.1 5.7 10 3 0 2 21.692 43.383 2.42001 19.1 1.5 1.4 5.7 11 0 0 4 22.511 45.022 2.33625 74.0 5.6 5.5 5.7 12 3 1 1 23.07 46.141 2.28259 19.9 1.5 1.5 5.7 13 2 1 3 23.594 47.188 2.23473 21.7 1.7 1.6 5.7 14 2 2 2 24.345 48.69 2.16981 37.3 2.9 2.8 5.7 15 1 1 4 25.097 50.194 2.10882 31.9 2.4 2.4 5.7 16 3 1 2 25.182 50.363 2.10219 70.0 5.3 5.2 5.8 17 3 2 0 27.348 54.695 1.94706 38.3 2.9 2.8 5.8 18 4 0 2 27.58 55.161 1.93191 32.3 2.5 2.4 5.8 19 3 1 3 28.443 56.886 1.87799 87.5 6.7 6.4 5.8 20 4 1 0 28.879 57.758 1.85203 35.5 2.7 2.6 5.8 21 4 1 1 29.496 58.991 1.81669 35.4 2.7 2.6 5.8 22 3 0 4 29.771 59.542 1.8014 49.0 3.7 3.6 5.8 23 5 0 0 31.8 63.6 1.69741 59.5 4.5 4.3 5.9 24 2 2 4 31.94 63.88 1.69076 157.5 12.0 11.4 5.9 25 3 1 4 32.644 65.289 1.65818 14.5 1.1 1.0 5.9 26 3 2 3 32.803 65.606 1.65106 16.7 1.3 1.2 5.9 27 3 3 0 33.204 66.409 1.63333 17.5 1.3 1.3 5.9 28 4 2 0 33.895 67.791 1.6039 29.9 2.3 2.2 5.9 29 4 1 3 34.186 68.371 1.59191 67.9 5.2 4.9 5.9 30 0 0 6 35.05 70.1 1.5575 15.6 1.2 1.1 5.9 31 3 3 2 35.459 70.918 1.54185 18.0 1.4 1.3 5.9 32 3 2 4 36.728 73.456 1.49572 51.6 3.9 3.7 6.0 33 1 1 6 37.057 74.113 1.48432 20.5 1.6 1.5 6.0 34 2 0 6 37.716 75.433 1.46213 20.5 1.6 1.5 6.0 35 5 1 2 38.114 76.228 1.44915 45.6 3.5 3.2 6.0 36 2 1 6 39.673 79.346 1.40108 30.9 2.4 2.2 6.0 37 5 2 0 41.16 82.321 1.35902 18.5 1.4 1.3 6.1 38 6 0 2 41.352 82.705 1.35383 82.9 6.3 5.8 6.1 39 5 2 1 41.689 83.379 1.34487 39.9 3.0 2.8 6.1 40 4 2 4 42.567 85.134 1.32228 56.5 4.3 3.9 6.1 41 4 1 5 42.837 85.675 1.31554 19.9 1.5 1.4 6.1 42 2 2 6 42.884 85.768 1.31439 22.2 1.7 1.5 6.1 43 5 2 2 43.27 86.541 1.30494 19.7 1.5 1.4 6.1 44 3 1 6 43.521 87.043 1.2989 18.2 1.4 1.3 6.1 45 4 3 3 44.623 89.246 1.27336 38.4 2.9 2.6 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) |