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 10, Be, syn, t-beryl, f-cordierite, DF (Mg,Fe)(2)(Al,Be)(3)Cs(0.16)Na(0.02)[Si(5.7)Al(0.3)]O(18) Hexagonal P 6/mcc Z = 2 R =0.036 NR =597 17 .11 .15 Ref.Str.: Mikhailov M.A., Rozhdestvenckaya I.V., Bannova I.I. (2012) * Crystallogr. Reports, 57, 759-767 L: $ Al2.16 Mg1.9 Fe0.1 Be1.02 Cs0.16 Na0.02 Si5.82 O18$ R: N.A.D. Initial data from BDM-file Lattice parameters (cub. angs.,degr.): a = 9.598 alpha = 90.0 b = 9.598 beta = 90.0 c = 9.284 gamma = 120.0 Unit cell volume (cub. angs.) = 740.67 Molar volume ( cub.cm/mol.) = 223.07 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 0.0 Mg = 0.95, Fe = 0.05 2 0.3746 0.1064 0.0 0.0 Si = 0.93, Al = 0.07, Be = 0.08 3 0.5 0.0 0.25 0.0 Al = 0.66, Be = 0.34 4 0.0 0.0 0.25 0.0 Cs = 0.16, Cs = 0.0 5 0.0 0.0 0.0 0.0 Na = 0.02, Na = 0.0 6 0.3032 0.227 0.0 0.0 O = 1.00 7 0.4832 0.1355 0.143 0.0 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 0.3746 0.1064 0.0 3 3 0.5 0.0 0.25 4 4 0.0 0.0 0.25 5 5 0.0 0.0 0.0 6 6 0.3032 0.227 0.0 7 7 0.4832 0.1355 0.143 8 2 0.8936 0.2681 0.0 9 2 0.7319 0.6254 0.0 10 3 0.0 0.5 0.25 11 3 0.5 0.5 0.25 12 6 0.773 0.0762 0.0 13 6 0.9238 0.6968 0.0 14 7 0.8645 0.3477 0.143 15 7 0.6523 0.5168 0.143 16 1 0.6667 0.3333 0.25 17 2 0.6254 0.8936 0.0 18 6 0.6968 0.773 0.0 19 7 0.5168 0.8645 0.143 20 2 0.1064 0.7319 0.0 21 2 0.2681 0.3746 0.0 22 6 0.227 0.9238 0.0 23 6 0.0762 0.3032 0.0 24 7 0.1355 0.6523 0.143 25 7 0.3477 0.4832 0.143 26 1 0.3333 0.6666 0.75 27 2 0.3746 0.2681 0.5 28 3 0.5 0.5 0.75 29 4 0.0 0.0 0.75 30 5 0.0 0.0 0.5 31 6 0.3032 0.0762 0.5 32 7 0.4832 0.3477 0.643 33 2 0.8936 0.6255 0.5 34 2 0.7319 0.1064 0.5 35 3 0.0 0.5 0.75 36 3 0.5 0.0 0.75 37 6 0.773 0.6968 0.5 38 6 0.9238 0.227 0.5 39 7 0.8645 0.5168 0.643 40 7 0.6523 0.1355 0.643 41 1 0.6667 0.3334 0.75 42 2 0.6254 0.7319 0.5 43 6 0.6968 0.9238 0.5 44 7 0.5168 0.6523 0.643 45 2 0.1064 0.3745 0.5 46 2 0.2681 0.8936 0.5 47 6 0.227 0.3032 0.5 48 6 0.0762 0.773 0.5 49 7 0.1355 0.4832 0.643 50 7 0.3477 0.8645 0.643 51 7 0.4832 0.1355 0.857 52 7 0.8645 0.3477 0.857 53 7 0.6523 0.5168 0.857 54 7 0.5168 0.8645 0.857 55 7 0.1355 0.6523 0.857 56 7 0.3477 0.4832 0.857 57 7 0.4832 0.3477 0.357 58 7 0.8645 0.5168 0.357 59 7 0.6523 0.1355 0.357 60 7 0.5168 0.6523 0.357 61 7 0.1355 0.4832 0.357 62 7 0.3477 0.8645 0.357 X-ray density (g/cm cub.) = 2.67 MU (1/cm) = 166.494 Mass attenuation coefficient (cm**2/g) = 62.412 Selected interatomic distances (cation-anion,anion-anion): NoP Atom Rad.sph. C.N. Distance NoP N. (angs.) (angs.) 1 Mg ,Fe 2.592 6 2.0855 7 2.0852 7 2.0859 7 2.086 7 2.0855 7 2.0851 7 2 Si ,Al ,Be 2.316 4 1.6128 6 1.6238 7 1.611 6 1.6238 7 3 Al ,Be 2.316 4 1.707 7 1.707 7 1.7071 7 1.7071 7 4 Cs ,Cs 3.612 12 3.5018 6 3.5017 6 3.5018 6 3.5018 6 3.5017 6 3.5018 6 3.5018 6 3.5017 6 3.5018 6 3.5018 6 3.5017 6 3.5018 6 5 Na ,Na 2.808 6 2.6221 6 2.622 6 2.6221 6 2.6221 6 2.622 6 2.6221 6 6 O 3.264 6 2.6525 7 2.622 6 2.6222 6 2.6347 7 2.6525 7 2.6347 7 7 O 3.264 9 2.6525 6 3.1761 7 3.1761 7 2.7764 7 2.6346 6 2.6552 7 2.8452 7 2.5655 7 3.0036 7 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 6.178 12.355 0.06 169.75 6 61.6 703.7 2 1 1 0 10.742 21.484 0.104 54.67 6 41.9 104.9 3 0 0 2 11.11 22.219 0.108 50.97 2 81.9 124.7 4 2 0 0 12.428 24.857 0.12 40.31 6 4.0 0.7 5 1 0 2 12.75 25.5 0.123 38.2 12 51.0 217.2 6 1 1 2 15.55 31.1 0.15 25.03 12 116.5 743.1 7 2 1 0 16.541 33.083 0.159 21.9 12 28.2 38.0 8 2 0 2 16.791 33.581 0.161 21.2 12 105.1 511.9 9 2 1 1 17.492 34.983 0.168 19.4 24 97.3 803.2 10 3 0 0 18.834 37.668 0.18 16.49 6 38.8 27.1 11 2 1 2 20.108 40.215 0.192 14.26 24 39.2 96.0 12 2 2 0 21.887 43.773 0.208 11.8 6 58.5 44.1 13 3 0 2 22.084 44.167 0.21 11.56 12 7.2 1.3 14 0 0 4 22.667 45.334 0.215 10.9 2 151.7 91.5 15 3 1 0 22.83 45.659 0.217 10.73 12 24.9 14.6 16 3 1 1 23.564 47.128 0.223 9.99 24 24.7 26.6 17 1 0 4 23.586 47.171 0.224 9.97 12 30.7 20.6 18 2 1 3 23.935 47.871 0.227 9.64 24 22.9 22.1 19 2 2 2 24.811 49.622 0.235 8.88 12 49.7 48.0 20 1 1 4 25.346 50.692 0.239 8.46 12 25.6 12.1 21 4 0 0 25.495 50.991 0.241 8.35 6 20.4 3.8 22 3 1 2 25.671 51.342 0.242 8.22 24 32.4 37.6 23 2 0 4 26.193 52.387 0.247 7.85 12 33.8 19.6 24 3 2 0 27.973 55.946 0.262 6.76 12 37.1 20.3 25 4 0 2 28.138 56.276 0.264 6.67 12 46.6 31.7 26 3 2 1 28.61 57.221 0.268 6.42 24 25.8 18.6 27 2 1 4 28.629 57.258 0.268 6.41 24 6.8 1.3 28 3 1 3 28.935 57.87 0.27 6.26 24 59.6 97.4 29 4 1 0 29.546 59.093 0.276 5.97 12 82.5 89.0 30 4 1 1 30.162 60.325 0.281 5.7 24 49.2 60.4 31 3 0 4 30.18 60.361 0.281 5.7 12 90.2 101.4 32 3 2 2 30.47 60.941 0.283 5.58 24 18.1 8.0 33 4 1 2 31.967 63.935 0.296 5.02 24 41.7 38.2 34 2 2 4 32.423 64.846 0.3 4.87 12 139.1 206.0 35 5 0 0 32.551 65.101 0.301 4.82 6 104.5 57.6 36 3 1 4 33.152 66.303 0.306 4.64 24 13.0 3.4 37 3 2 3 33.433 66.866 0.308 4.56 24 36.1 26.0 38 3 3 0 33.997 67.995 0.313 4.4 6 52.3 13.2 39 2 1 5 34.026 68.052 0.313 4.39 24 26.4 13.4 40 4 2 0 34.709 69.419 0.318 4.22 12 62.8 36.4 41 5 0 2 34.856 69.711 0.319 4.18 12 18.4 3.1 42 4 1 3 34.861 69.722 0.32 4.18 24 74.2 100.6 43 4 2 1 35.275 70.551 0.323 4.08 24 4.6 0.4 44 4 0 4 35.292 70.584 0.323 4.08 12 32.1 9.2 45 0 0 6 35.315 70.629 0.323 4.07 2 123.6 22.7 46 1 0 6 36.015 72.03 0.329 3.92 12 7.1 0.4 47 3 3 2 36.258 72.516 0.331 3.87 12 73.3 45.5 48 5 1 0 36.809 73.617 0.335 3.76 12 4.6 0.2 49 4 2 2 36.951 73.902 0.336 3.73 24 15.9 4.1 50 5 1 1 37.361 74.723 0.339 3.65 24 11.3 2.0 51 3 2 4 37.378 74.755 0.339 3.65 24 51.1 41.7 52 1 1 6 37.4 74.799 0.34 3.65 12 80.5 51.7 53 2 0 6 38.085 76.17 0.345 3.53 12 59.8 27.6 54 3 1 5 38.21 76.419 0.346 3.51 24 25.5 10.0 55 4 1 4 38.745 77.489 0.35 3.43 24 3.5 0.2 56 5 1 2 39.003 78.007 0.352 3.39 24 48.3 34.6 57 4 2 3 39.685 79.371 0.357 3.3 24 21.8 6.8 58 2 1 6 40.119 80.238 0.36 3.24 24 41.4 24.3 59 6 0 0 40.215 80.43 0.361 3.23 6 67.9 16.3 60 4 3 0 40.886 81.773 0.366 3.15 12 9.8 0.7 61 4 3 1 41.423 82.846 0.37 3.09 24 1.4 0.0 62 5 0 4 41.439 82.878 0.37 3.09 12 19.4 2.5 63 3 0 6 41.46 82.921 0.37 3.09 12 15.6 1.6 64 5 1 3 41.699 83.398 0.372 3.07 24 10.4 1.5 65 5 2 0 42.223 84.446 0.376 3.02 12 78.7 40.9 66 3 2 5 42.25 84.499 0.376 3.02 24 26.0 8.9 67 6 0 2 42.361 84.721 0.377 3.01 12 138.3 125.7 68 5 2 1 42.757 85.514 0.379 2.97 24 71.3 66.0 69 3 3 4 42.773 85.546 0.38 2.97 12 6.6 0.3 70 4 3 2 43.026 86.053 0.381 2.95 24 15.0 2.9 71 4 2 4 43.438 86.876 0.384 2.92 24 76.8 75.4 72 2 2 6 43.459 86.918 0.384 2.92 12 72.0 33.1 73 4 1 5 43.58 87.16 0.385 2.91 24 54.5 37.8 74 3 1 6 44.123 88.246 0.389 2.88 24 33.2 13.9 75 5 2 2 44.355 88.709 0.391 2.86 24 29.3 10.8 76 6 1 0 44.881 89.763 0.394 2.83 12 26.7 4.4 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 6.178 12.355 8.31211 703.7 87.6 89.1 5.6 2 1 1 0 10.742 21.484 4.799 104.9 13.1 13.2 5.6 3 0 0 2 11.11 22.219 4.642 124.7 15.5 15.7 5.6 4 1 0 2 12.75 25.5 4.05283 217.2 27.0 27.3 5.6 5 1 1 2 15.55 31.1 3.33651 743.1 92.5 92.8 5.6 6 2 1 0 16.541 33.083 3.14168 38.0 4.7 4.7 5.6 7 2 0 2 16.791 33.581 3.09637 511.9 63.7 63.8 5.7 8 2 1 1 17.492 34.983 2.97591 803.2 100.0 100.0 5.7 9 3 0 0 18.834 37.668 2.7707 27.1 3.4 3.4 5.7 10 2 1 2 20.108 40.215 2.60181 96.0 12.0 11.9 5.7 11 2 2 0 21.887 43.773 2.3995 44.1 5.5 5.4 5.7 12 0 0 4 22.667 45.334 2.321 91.5 11.4 11.3 5.7 13 3 1 0 22.83 45.659 2.30537 14.6 1.8 1.8 5.7 14 3 1 1 23.564 47.128 2.23742 47.2 5.9 5.8 5.7 15 2 1 3 23.935 47.871 2.20469 22.1 2.7 2.7 5.7 16 2 2 2 24.811 49.622 2.13157 48.0 6.0 5.9 5.7 17 1 1 4 25.346 50.692 2.08946 12.1 1.5 1.5 5.8 18 3 1 2 25.671 51.342 2.06476 37.6 4.7 4.6 5.8 19 2 0 4 26.193 52.387 2.02641 19.6 2.4 2.4 5.8 20 3 2 0 27.973 55.946 1.90693 20.3 2.5 2.5 5.8 21 4 0 2 28.138 56.276 1.89666 31.7 3.9 3.9 5.8 22 3 2 1 28.61 57.221 1.86793 19.9 2.5 2.4 5.8 23 3 1 3 28.935 57.87 1.84877 97.4 12.1 11.8 5.8 24 4 1 0 29.546 59.093 1.81385 89.0 11.1 10.8 5.8 25 3 0 4 30.18 60.361 1.77922 161.8 20.1 19.6 5.8 26 4 1 2 31.967 63.935 1.68945 38.2 4.8 4.6 5.9 27 2 2 4 32.423 64.846 1.66826 206.0 25.6 24.7 5.9 28 5 0 0 32.551 65.101 1.66242 57.6 7.2 6.9 5.9 29 3 2 3 33.433 66.866 1.62346 26.0 3.2 3.1 5.9 30 2 1 5 34.026 68.052 1.59849 26.6 3.3 3.2 5.9 31 4 2 0 34.709 69.419 1.57084 36.4 4.5 4.3 5.9 32 4 1 3 34.861 69.722 1.56486 103.6 12.9 12.3 5.9 33 0 0 6 35.315 70.629 1.54733 31.9 4.0 3.8 5.9 34 3 3 2 36.258 72.516 1.51238 45.5 5.7 5.4 5.9 35 1 1 6 37.4 74.799 1.47268 95.5 11.9 11.3 6.0 36 2 0 6 38.085 76.17 1.45009 27.6 3.4 3.2 6.0 37 3 1 5 38.21 76.419 1.44608 10.0 1.2 1.2 6.0 38 5 1 2 39.003 78.007 1.42121 34.6 4.3 4.1 6.0 39 2 1 6 40.119 80.238 1.38811 24.3 3.0 2.8 6.0 40 6 0 0 40.215 80.43 1.38535 16.3 2.0 1.9 6.0 41 5 2 0 42.223 84.446 1.331 49.8 6.2 5.7 6.1 42 6 0 2 42.361 84.721 1.3275 125.7 15.7 14.5 6.1 43 5 2 1 42.757 85.514 1.31753 66.3 8.3 7.6 6.1 44 4 2 4 43.438 86.876 1.30091 108.5 13.5 12.4 6.1 45 4 1 5 43.58 87.16 1.2975 37.8 4.7 4.3 6.2 46 3 1 6 44.123 88.246 1.28477 13.9 1.7 1.6 6.2 47 5 2 2 44.355 88.709 1.27945 10.8 1.3 1.2 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) |