NaCaAlF6 Hemon A, Courbion G Journal of Solid State Chemistry 84 (1990) 153-164 The NaF - CaF2 - AlF3 system: structures of beta-NaCaAlF6 and Na4Ca4Al7F33 _cod_database_code 1000417 _database_code_amcsd 0013669 CELL PARAMETERS: 8.9295 8.9295 5.0642 90.000 90.000 120.000 SPACE GROUP: P321 X-RAY WAVELENGTH: 1.541838 Cell Volume: 349.700 Density (g/cm3): 2.906 MAX. ABS. INTENSITY / VOLUME**2: 13.57318829 RIR: 1.521 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 19.89 20.33 4.4647 1 1 0 3 20.97 17.08 4.2366 0 1 1 6 20.97 15.99 4.2366 1 0 1 6 26.62 100.00 3.3490 1 1 1 6 29.06 16.42 3.0732 0 2 1 6 29.06 16.94 3.0732 2 0 1 6 30.59 7.10 2.9229 2 1 0 6 34.80 5.13 2.5777 3 0 0 6 35.46 5.49 2.5315 1 2 1 6 35.46 3.81 2.5315 2 1 1 6 39.22 47.01 2.2972 0 3 1 6 39.22 26.42 2.2972 3 0 1 6 40.40 4.30 2.2324 2 2 0 3 40.98 4.91 2.2025 1 1 2 6 42.13 3.84 2.1448 3 1 0 6 42.68 2.02 2.1183 0 2 2 6 44.35 10.87 2.0427 2 2 1 6 45.95 4.85 1.9750 1 3 1 6 47.51 2.89 1.9138 1 2 2 6 47.51 7.59 1.9138 2 1 2 6 50.53 22.84 1.8064 0 3 2 6 50.53 38.34 1.8064 3 0 2 6 50.53 1.08 1.8062 4 0 1 6 51.51 3.93 1.7741 3 2 0 6 54.82 3.78 1.6745 2 2 2 6 54.83 7.96 1.6743 2 3 1 6 54.83 7.68 1.6743 3 2 1 6 55.74 1.04 1.6492 0 1 3 6 55.74 1.06 1.6492 1 0 3 6 56.21 4.55 1.6366 3 1 2 6 56.21 2.11 1.6366 1 3 2 6 57.57 4.42 1.6010 1 4 1 6 57.57 11.80 1.6010 4 1 1 6 58.45 6.39 1.5790 1 1 3 6 59.78 1.58 1.5471 0 2 3 6 59.78 1.65 1.5471 2 0 3 6 60.23 1.25 1.5366 0 4 2 6 62.40 16.21 1.4882 3 3 0 3 62.82 2.28 1.4792 0 5 1 6 62.82 2.38 1.4792 5 0 1 6 63.66 2.82 1.4618 1 2 3 6 63.66 3.04 1.4618 2 1 3 6 63.67 5.26 1.4614 4 2 0 6 66.17 2.34 1.4122 0 3 3 6 66.17 1.51 1.4122 3 0 3 6 66.60 1.58 1.4042 4 1 2 6 69.86 3.13 1.3465 2 2 3 6 70.28 1.23 1.3395 5 1 1 6 70.28 1.32 1.3395 1 5 1 6 75.02 2.68 1.2660 0 0 4 2 76.22 1.19 1.2490 6 0 1 6 77.01 2.88 1.2383 5 2 0 6 78.16 1.39 1.2229 3 2 3 6 78.16 1.45 1.2229 2 3 3 6 78.55 1.41 1.2178 5 1 2 6 78.55 1.62 1.2178 1 5 2 6 80.48 2.31 1.1934 1 4 3 6 84.31 2.25 1.1486 0 6 2 6 84.31 1.45 1.1486 6 0 2 6 84.32 1.04 1.1486 6 1 1 6 85.07 1.58 1.1404 5 0 3 6 85.07 1.57 1.1404 0 5 3 6 85.44 2.25 1.1364 0 3 4 6 90.00 1.28 1.0903 1 3 4 6 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.