Na2Ba3Cr4F20 Abjean P, Leblanc M, De P, Ferey G Acta Crystallographica C41 (1985) 1696-1698 Structure of Na2Ba3Cr4F20 _cod_database_code 1000338 _database_code_amcsd 0010017 CELL PARAMETERS: 7.2620 20.6680 5.4310 90.000 90.760 90.000 SPACE GROUP: P2_1/n X-RAY WAVELENGTH: 1.541838 Cell Volume: 815.073 Density (g/cm3): 4.261 MAX. ABS. INTENSITY / VOLUME**2: 19.74586994 RIR: 1.509 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 8.56 30.14 10.3340 0 2 0 2 12.92 36.38 6.8508 1 1 0 4 14.91 9.45 5.9413 1 2 0 4 16.88 18.14 5.2522 0 1 1 4 17.75 25.46 4.9978 1 3 0 4 20.29 17.11 4.3768 -1 0 1 2 20.55 25.22 4.3215 1 0 1 2 20.83 3.87 4.2649 0 3 1 4 21.00 18.79 4.2300 1 1 1 4 21.10 1.54 4.2100 1 4 0 4 22.06 7.86 4.0302 -1 2 1 4 22.30 7.94 3.9869 1 2 1 4 24.09 10.94 3.6943 -1 3 1 4 24.31 6.14 3.6609 1 3 1 4 24.52 28.54 3.6307 2 0 0 2 24.78 60.08 3.5923 1 5 0 4 24.90 7.76 3.5759 2 1 0 4 25.86 3.18 3.4447 0 6 0 2 26.01 13.29 3.4254 2 2 0 4 26.69 100.00 3.3397 -1 4 1 4 26.90 90.36 3.3149 1 4 1 4 27.11 78.87 3.2891 0 5 1 4 27.77 2.29 3.2119 2 3 0 4 29.73 53.68 3.0047 -2 1 1 4 30.08 25.89 2.9706 2 4 0 4 30.10 43.67 2.9688 2 1 1 4 32.21 4.13 2.7789 -2 3 1 4 32.55 6.26 2.7505 2 3 1 4 32.74 5.66 2.7351 1 7 0 4 32.83 1.47 2.7279 2 5 0 4 32.99 50.03 2.7153 0 0 2 2 34.25 1.03 2.6182 -2 4 1 4 34.72 8.20 2.5835 0 8 0 2 35.41 2.68 2.5351 -1 1 2 4 35.72 3.40 2.5135 1 1 2 4 36.72 7.66 2.4474 -2 5 1 4 36.93 5.62 2.4340 1 8 0 4 37.03 20.39 2.4279 2 5 1 4 37.41 5.62 2.4040 3 1 0 4 37.41 16.65 2.4036 0 4 2 4 37.55 1.09 2.3951 -1 3 2 4 37.85 2.88 2.3768 1 3 2 4 39.35 11.60 2.2899 -1 4 2 4 39.72 1.61 2.2694 0 5 2 4 39.85 1.63 2.2623 2 6 1 4 40.55 2.87 2.2248 -1 8 1 4 40.61 28.00 2.2218 -3 0 1 2 40.69 1.44 2.2175 1 8 1 4 40.85 3.09 2.2091 -3 1 1 4 41.03 10.89 2.2000 3 0 1 2 41.23 35.01 2.1896 1 9 0 4 41.25 6.40 2.1884 -2 0 2 2 41.49 2.19 2.1762 -2 1 2 4 41.56 31.36 2.1730 -1 5 2 4 41.58 1.18 2.1721 -3 2 1 4 41.81 2.13 2.1607 2 0 2 2 41.83 18.13 2.1593 1 5 2 4 42.21 4.95 2.1409 -2 2 2 4 42.75 8.05 2.1151 0 9 1 4 42.75 10.34 2.1150 2 2 2 4 42.97 17.08 2.1050 2 8 0 4 43.32 16.53 2.0887 3 5 0 4 43.80 12.84 2.0668 0 10 0 2 43.92 5.50 2.0617 2 3 2 4 44.14 2.96 2.0518 -1 6 2 4 44.38 15.54 2.0411 -3 4 1 4 44.77 24.67 2.0241 3 4 1 4 44.99 10.22 2.0151 -2 4 2 4 45.50 24.11 1.9934 2 4 2 4 45.64 2.81 1.9878 1 10 0 4 46.98 1.50 1.9341 -2 5 2 4 47.04 4.08 1.9318 -1 7 2 4 47.29 2.79 1.9222 1 7 2 4 48.64 7.61 1.8719 3 7 0 4 48.65 6.93 1.8717 0 8 2 4 48.72 3.14 1.8689 -1 10 1 4 48.85 3.93 1.8645 1 10 1 4 49.34 2.49 1.8472 -2 6 2 4 49.78 24.71 1.8317 -2 9 1 4 49.82 5.21 1.8304 2 6 2 4 50.02 21.24 1.8235 2 9 1 4 50.26 12.42 1.8153 4 0 0 2 50.62 1.05 1.8033 0 1 3 4 51.46 11.85 1.7756 0 11 1 4 51.69 3.42 1.7685 3 2 2 4 51.75 1.12 1.7663 3 8 0 4 51.89 1.25 1.7619 -1 0 3 2 52.00 2.68 1.7586 -3 3 2 4 52.01 1.41 1.7581 -2 7 2 4 52.10 1.16 1.7555 -1 1 3 4 52.24 2.81 1.7510 1 0 3 2 52.44 4.93 1.7447 1 1 3 4 52.70 1.02 1.7370 3 3 2 4 53.50 2.11 1.7127 4 4 0 4 53.67 8.46 1.7078 -1 9 2 4 53.70 2.75 1.7070 -1 3 3 4 53.77 2.85 1.7049 -4 2 1 4 53.90 7.15 1.7011 1 9 2 4 54.22 2.67 1.6917 4 2 1 4 54.78 1.72 1.6758 1 12 0 4 54.81 1.27 1.6750 3 8 1 4 54.99 2.57 1.6698 -2 8 2 4 55.07 12.33 1.6676 -1 4 3 4 55.13 6.33 1.6659 3 9 0 4 55.17 10.48 1.6648 -3 5 2 4 55.40 7.59 1.6583 1 4 3 4 55.41 7.01 1.6582 0 5 3 4 55.44 1.32 1.6575 2 8 2 4 55.84 6.18 1.6465 3 5 2 4 55.91 1.59 1.6446 0 10 2 4 56.70 6.50 1.6236 -2 1 3 4 57.28 1.69 1.6084 -3 6 2 4 57.35 1.02 1.6067 -1 10 2 4 57.35 8.61 1.6066 2 1 3 4 57.82 5.99 1.5948 -4 5 1 4 58.25 6.93 1.5840 4 5 1 4 59.52 3.02 1.5531 1 13 0 4 59.71 2.74 1.5486 -3 7 2 4 60.35 2.48 1.5338 3 7 2 4 60.70 9.23 1.5258 0 13 1 4 61.02 6.58 1.5185 -4 0 2 2 61.16 1.34 1.5153 -2 5 3 4 61.25 6.73 1.5133 -3 10 1 4 61.57 2.53 1.5063 3 10 1 4 61.79 1.11 1.5014 2 5 3 4 61.86 6.33 1.5000 4 0 2 2 61.94 1.27 1.4982 -2 12 1 4 62.53 3.14 1.4853 4 8 0 4 62.65 3.36 1.4829 -4 3 2 4 62.67 1.09 1.4825 0 8 3 4 63.80 2.16 1.4589 -3 0 3 2 64.30 1.86 1.4487 5 1 0 4 64.71 1.74 1.4405 4 4 2 4 64.71 3.24 1.4405 3 0 3 2 64.91 1.08 1.4367 -4 8 1 4 65.46 2.44 1.4258 -3 9 2 4 65.55 3.55 1.4241 1 12 2 4 65.55 1.11 1.4241 4 9 0 4 65.68 2.24 1.4216 0 9 3 4 66.06 3.58 1.4142 3 9 2 4 66.37 3.15 1.4085 -2 13 1 4 66.57 3.11 1.4048 2 13 1 4 66.61 5.99 1.4040 -3 4 3 4 66.89 1.60 1.3989 -1 14 1 4 66.99 1.33 1.3970 1 14 1 4 67.09 1.02 1.3952 5 1 1 4 67.50 3.42 1.3876 3 4 3 4 67.60 1.68 1.3857 5 2 1 4 67.86 2.86 1.3811 -4 9 1 4 68.26 2.22 1.3740 4 9 1 4 68.48 2.57 1.3702 5 5 0 4 68.63 5.75 1.3676 2 14 0 4 68.84 1.02 1.3639 4 10 0 4 69.17 4.42 1.3581 -5 4 1 4 69.20 7.22 1.3576 0 0 4 2 69.66 6.62 1.3498 5 4 1 4 69.66 2.16 1.3498 -1 13 2 4 69.86 3.57 1.3465 1 13 2 4 70.49 1.31 1.3360 1 10 3 4 70.51 1.10 1.3355 0 15 1 4 70.55 1.31 1.3349 -1 1 4 4 70.73 1.18 1.3320 0 3 4 4 70.92 2.87 1.3288 3 13 0 4 70.94 5.09 1.3285 -2 9 3 4 71.10 1.29 1.3260 -4 10 1 4 71.53 8.91 1.3191 2 9 3 4 72.16 1.47 1.3091 -4 8 2 4 72.51 2.54 1.3036 0 11 3 4 72.94 5.54 1.2970 0 14 2 4 73.54 1.02 1.2879 -4 1 3 4 74.42 2.03 1.2748 -2 1 4 4 74.56 1.22 1.2727 -1 5 4 4 74.60 2.15 1.2721 -4 11 1 4 74.94 1.49 1.2672 1 5 4 4 74.98 1.22 1.2666 4 11 1 4 76.89 1.34 1.2399 -2 4 4 4 77.49 1.65 1.2318 -4 5 3 4 77.64 1.84 1.2298 2 4 4 4 77.66 2.53 1.2295 -5 5 2 4 77.82 6.13 1.2274 5 9 0 4 77.94 1.83 1.2259 3 14 1 4 78.09 3.58 1.2238 -2 14 2 4 78.46 5.12 1.2189 2 14 2 4 78.60 2.77 1.2171 5 5 2 4 78.61 2.00 1.2170 4 5 3 4 79.14 1.68 1.2102 6 0 0 2 79.30 1.36 1.2082 6 1 0 4 79.80 1.05 1.2018 0 8 4 4 80.02 1.70 1.1991 1 17 0 4 80.19 3.09 1.1970 -3 13 2 4 80.39 2.74 1.1945 0 13 3 4 80.60 1.58 1.1919 -3 10 3 4 80.74 2.75 1.1901 3 13 2 4 81.30 1.24 1.1834 -2 12 3 4 81.72 1.89 1.1783 6 4 0 4 82.42 2.42 1.1702 -4 13 1 4 82.79 3.02 1.1659 4 13 1 4 83.66 3.94 1.1559 -1 9 4 4 84.03 2.33 1.1518 1 9 4 4 84.35 1.12 1.1482 0 18 0 2 84.61 1.32 1.1454 4 14 0 4 84.65 1.18 1.1449 -2 8 4 4 84.71 1.61 1.1443 -3 5 4 4 85.22 1.50 1.1388 -6 5 1 4 85.32 1.45 1.1377 -2 13 3 4 85.81 1.72 1.1324 3 5 4 4 85.89 1.06 1.1316 -1 14 3 4 86.52 1.36 1.1250 -4 9 3 4 86.69 2.81 1.1232 -5 9 2 4 86.70 1.48 1.1230 -1 10 4 4 87.60 3.15 1.1138 5 9 2 4 87.62 1.59 1.1136 4 9 3 4 87.64 2.38 1.1134 -5 4 3 4 87.89 1.38 1.1109 -6 0 2 2 87.91 3.30 1.1106 -1 18 1 4 88.01 2.72 1.1097 1 18 1 4 88.05 1.11 1.1093 -6 1 2 4 89.02 1.49 1.0997 5 4 3 4 89.53 1.42 1.0948 2 18 0 4 89.59 1.31 1.0942 -4 0 4 2 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.