Ba3AlF9 Renaudin A, Ferey G, Kozak A, Samouel M European Journal of Solid State and Inorganic Chemistry 27 (1990) 571-580 Polymorphic Ba3AlF9 : crystal structure of form I _cod_database_code 1000288 _database_code_amcsd 0012532 CELL PARAMETERS: 19.7060 5.5990 15.1730 90.000 90.000 90.000 SPACE GROUP: Pnma X-RAY WAVELENGTH: 1.541838 Cell Volume: 1674.096 Density (g/cm3): 4.839 MAX. ABS. INTENSITY / VOLUME**2: 42.07842887 RIR: 2.831 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 7.35 6.52 12.0222 1 0 1 4 11.66 1.39 7.5865 0 0 2 2 12.50 1.73 7.0800 1 0 2 4 17.47 2.02 5.0756 1 1 1 8 18.01 2.03 4.9265 4 0 0 2 18.94 2.76 4.6857 4 0 1 4 19.15 1.00 4.6352 2 1 1 8 19.73 2.00 4.4995 2 0 3 4 21.69 16.75 4.0970 2 1 2 8 22.18 1.30 4.0074 3 0 3 4 23.71 2.01 3.7531 0 1 3 4 23.89 4.75 3.7249 1 0 4 4 23.95 8.87 3.7152 3 1 2 8 24.06 35.43 3.6986 4 1 0 4 24.14 36.17 3.6869 1 1 3 8 24.78 100.00 3.5934 4 1 1 8 25.16 25.52 3.5400 2 0 4 4 25.39 70.24 3.5073 2 1 3 8 25.47 6.91 3.4974 5 0 2 4 26.82 22.20 3.3245 4 1 2 8 27.15 18.93 3.2849 3 0 4 4 27.15 1.52 3.2843 6 0 0 2 27.79 4.23 3.2100 6 0 1 4 28.31 10.94 3.1525 5 1 1 8 28.72 9.57 3.1088 5 0 3 4 28.79 29.79 3.1013 1 1 4 8 29.64 19.96 3.0140 6 0 2 4 29.72 4.08 3.0055 4 0 4 4 29.79 4.54 2.9992 1 0 5 4 29.86 5.40 2.9921 2 1 4 8 29.93 1.70 2.9855 4 1 3 8 30.13 5.36 2.9663 5 1 2 8 30.83 1.49 2.9002 2 0 5 4 31.58 5.49 2.8333 3 1 4 8 31.58 1.34 2.8329 6 1 0 4 31.97 39.17 2.7995 0 2 0 2 32.50 9.87 2.7548 3 0 5 4 32.51 2.10 2.7545 6 0 3 4 34.72 3.42 2.5838 4 0 5 4 35.37 1.33 2.5378 2 2 2 8 36.18 6.76 2.4830 6 0 4 4 36.35 3.02 2.4716 6 1 3 8 36.53 1.71 2.4598 7 0 3 4 36.93 7.73 2.4340 4 2 0 4 37.40 1.74 2.4044 5 0 5 4 37.42 5.52 2.4032 4 2 1 8 37.68 5.55 2.3873 7 1 2 8 37.85 5.82 2.3770 2 2 3 8 38.13 10.72 2.3600 3 0 6 4 38.42 14.71 2.3428 8 0 2 4 39.71 1.15 2.2698 6 1 4 8 39.88 1.66 2.2606 7 0 4 4 39.95 1.03 2.2569 5 2 1 8 39.99 1.24 2.2547 8 1 0 4 40.08 3.32 2.2498 4 0 6 4 40.30 2.41 2.2379 1 2 4 8 40.45 3.46 2.2302 8 1 1 8 40.47 1.84 2.2289 6 0 5 4 40.74 2.38 2.2146 8 0 3 4 41.11 30.72 2.1958 2 2 4 8 41.31 18.40 2.1856 5 2 2 8 41.93 1.87 2.1546 1 0 7 4 42.42 13.95 2.1307 3 2 4 8 42.43 4.06 2.1305 6 2 0 4 42.47 1.75 2.1284 5 0 6 4 42.71 2.17 2.1170 2 0 7 4 42.86 9.86 2.1098 6 2 1 8 42.99 12.23 2.1037 9 0 2 4 43.50 9.04 2.0803 5 2 3 8 43.71 4.69 2.0708 6 1 5 8 43.82 2.69 2.0659 8 0 4 4 43.97 2.78 2.0593 8 1 3 8 43.99 8.63 2.0584 3 0 7 4 44.15 21.23 2.0512 6 2 2 8 44.21 3.36 2.0485 4 2 4 8 44.26 8.61 2.0465 1 2 5 8 44.84 3.24 2.0214 0 1 7 4 44.85 1.53 2.0210 9 1 1 8 45.01 2.38 2.0142 2 2 5 8 45.09 18.30 2.0108 1 1 7 8 45.12 2.16 2.0093 9 0 3 4 45.60 9.17 1.9895 5 1 6 8 45.83 10.49 1.9801 2 1 7 8 46.06 1.08 1.9706 10 0 0 2 46.09 8.14 1.9693 9 1 2 8 46.23 7.83 1.9636 3 2 5 8 46.24 2.94 1.9634 6 2 3 8 46.88 2.46 1.9382 8 1 4 8 46.92 36.97 1.9365 7 1 5 8 47.04 1.88 1.9320 3 1 7 8 48.38 1.63 1.8813 7 0 6 4 48.51 1.52 1.8766 0 2 6 4 49.01 8.26 1.8588 10 1 0 4 49.40 4.08 1.8450 10 1 1 8 50.55 2.42 1.8054 10 1 2 8 50.59 1.41 1.8044 3 2 6 8 50.82 6.05 1.7967 8 2 2 8 51.25 2.55 1.7824 2 3 2 8 51.36 1.55 1.7791 11 0 1 4 51.64 1.17 1.7700 4 0 8 4 51.73 1.80 1.7672 2 1 8 8 52.43 3.78 1.7453 4 3 0 4 52.44 1.93 1.7447 10 1 3 8 52.47 4.26 1.7441 1 3 3 8 52.80 8.65 1.7339 4 3 1 8 53.13 8.24 1.7239 2 3 3 8 53.63 1.89 1.7090 5 0 8 4 53.68 1.19 1.7074 1 2 7 8 53.90 2.10 1.7009 4 3 2 8 54.09 1.31 1.6956 11 1 1 8 54.33 1.40 1.6887 11 0 3 4 54.33 1.67 1.6885 2 2 7 8 54.53 2.97 1.6829 8 1 6 8 54.57 3.57 1.6818 9 2 2 8 54.76 1.25 1.6764 5 3 1 8 55.03 4.62 1.6686 1 3 4 8 55.18 1.60 1.6647 11 1 2 8 55.40 5.90 1.6584 3 2 7 8 55.99 2.69 1.6424 6 0 8 4 56.01 1.86 1.6419 7 1 7 8 56.34 1.50 1.6330 3 0 9 4 56.84 2.70 1.6199 11 0 4 4 58.20 2.29 1.5851 10 1 5 8 58.93 2.06 1.5674 12 1 1 8 59.12 1.78 1.5626 8 1 7 8 59.15 1.21 1.5619 12 0 3 4 59.17 2.53 1.5614 7 2 6 8 59.40 1.26 1.5561 11 1 4 8 59.63 1.00 1.5506 2 2 8 8 59.96 1.63 1.5427 11 0 5 4 60.06 1.12 1.5404 9 0 7 4 60.34 1.82 1.5340 4 1 9 8 61.07 1.24 1.5173 0 0 10 2 61.86 2.64 1.4998 6 0 9 4 61.88 1.55 1.4994 9 2 5 8 62.04 1.47 1.4961 4 2 8 8 62.14 2.96 1.4938 5 1 9 8 62.76 1.06 1.4805 8 3 1 8 64.90 1.37 1.4367 13 1 2 8 65.20 1.58 1.4309 6 3 5 8 65.94 1.76 1.4166 6 2 8 8 66.25 3.84 1.4107 1 3 7 8 66.26 1.82 1.4105 3 2 9 8 66.42 1.34 1.4076 14 0 0 2 66.53 2.55 1.4055 13 1 3 8 66.65 3.23 1.4033 5 3 6 8 66.71 1.31 1.4021 11 2 4 8 66.83 2.65 1.4000 2 3 7 8 66.84 8.63 1.3997 0 4 0 2 67.04 2.17 1.3961 9 3 2 8 67.69 10.20 1.3843 7 3 5 8 68.33 1.55 1.3728 5 1 10 8 68.77 3.98 1.3651 13 1 4 8 68.83 1.25 1.3640 12 2 3 8 69.35 3.08 1.3551 10 3 0 4 69.58 3.22 1.3511 11 2 5 8 69.67 1.28 1.3497 10 3 1 8 69.67 4.44 1.3496 9 2 7 8 70.28 1.88 1.3393 0 1 11 4 70.61 2.61 1.3340 0 2 10 4 71.34 2.07 1.3221 6 2 9 8 71.95 1.84 1.3123 3 1 11 8 72.63 2.21 1.3017 2 4 4 8 72.79 2.81 1.2993 9 1 9 8 73.02 1.55 1.2958 11 2 6 8 73.24 1.52 1.2924 4 1 11 8 73.55 1.81 1.2877 3 4 4 8 73.92 1.06 1.2822 8 3 6 8 74.32 1.04 1.2763 5 4 3 8 74.34 1.99 1.2760 9 2 8 8 74.78 2.37 1.2695 6 4 2 8 74.99 1.86 1.2665 13 1 6 8 75.62 3.59 1.2576 14 2 0 4 76.24 2.78 1.2488 10 1 9 8 76.31 1.40 1.2479 3 4 5 8 76.45 2.06 1.2459 8 2 9 8 77.00 1.58 1.2384 11 2 7 8 77.26 2.50 1.2349 1 2 11 8 78.94 2.35 1.2127 13 1 7 8 79.63 1.47 1.2039 3 4 6 8 79.82 2.48 1.2016 8 4 2 8 80.23 1.62 1.1964 4 1 12 8 80.56 1.42 1.1924 5 3 9 8 80.92 1.27 1.1880 16 1 2 8 81.11 2.38 1.1857 15 2 1 8 81.97 1.06 1.1754 10 1 10 8 82.41 1.04 1.1702 16 1 3 8 82.83 2.36 1.1654 9 4 2 8 83.52 2.02 1.1575 3 4 7 8 86.52 1.47 1.1249 8 0 12 4 86.63 1.94 1.1238 13 3 4 8 88.83 1.50 1.1015 15 1 7 8 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.