Cryolite Yang H, Ghose S, Hatch D M Physics and Chemistry of Minerals 19 (1993) 528-544 Ferroelastic phase transition in cryolite, Na3AlF6, a mixed fluoride perovskite: high temperature single crystal X-ray diffraction study and symmetry analysis of the transition mechanism Sample: T = 880 K _database_code_amcsd 0007748 CELL PARAMETERS: 5.5732 5.6414 7.9365 90.000 89.990 90.000 SPACE GROUP: P2_1/n X-RAY WAVELENGTH: 1.541838 Cell Volume: 249.529 Density (g/cm3): 2.794 MAX. ABS. INTENSITY / VOLUME**2: 3.976262577 RIR: 0.463 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 19.30 41.83 4.5981 0 1 1 4 19.46 22.44 4.5613 1 0 1 2 19.46 16.13 4.5606 -1 0 1 2 22.40 26.14 3.9683 0 0 2 2 22.42 58.74 3.9647 1 1 0 4 25.11 1.32 3.5470 1 1 1 4 25.11 2.22 3.5466 -1 1 1 4 31.72 31.82 2.8207 0 2 0 2 31.91 48.19 2.8049 1 1 2 4 31.91 51.81 2.8046 -1 1 2 4 32.12 22.50 2.7866 2 0 0 2 35.68 4.34 2.5167 1 2 0 4 35.95 9.82 2.4984 2 1 0 4 37.49 4.58 2.3990 1 2 1 4 37.49 4.27 2.3989 -1 2 1 4 37.63 8.69 2.3901 1 0 3 2 37.64 9.85 2.3898 -1 0 3 2 37.75 6.81 2.3832 2 1 1 4 37.75 5.73 2.3830 -2 1 1 4 39.18 13.66 2.2991 0 2 2 4 39.51 3.85 2.2807 2 0 2 2 39.52 4.07 2.2803 -2 0 2 2 41.01 3.76 2.2007 1 1 3 4 41.02 1.28 2.2005 -1 1 3 4 42.53 2.24 2.1254 1 2 2 4 42.54 4.24 2.1253 -1 2 2 4 42.77 1.66 2.1141 -2 1 2 4 45.73 25.00 1.9841 0 0 4 2 45.77 48.02 1.9824 2 2 0 4 47.10 1.01 1.9296 0 2 3 4 50.02 1.04 1.8235 1 2 3 4 50.23 1.04 1.8163 -2 1 3 4 50.45 1.04 1.8089 3 0 1 2 51.27 4.39 1.7818 1 3 0 4 51.50 4.83 1.7744 1 1 4 4 51.54 4.68 1.7733 -2 2 2 4 51.81 1.37 1.7645 3 1 0 4 52.65 2.48 1.7385 -1 3 1 4 53.17 1.35 1.7225 3 1 1 4 56.62 3.05 1.6255 1 3 2 4 56.63 5.95 1.6254 -1 3 2 4 56.72 6.62 1.6228 0 2 4 4 56.97 5.07 1.6164 2 0 4 2 56.98 1.16 1.6161 -2 0 4 2 57.12 4.84 1.6124 3 1 2 4 57.13 9.00 1.6122 -3 1 2 4 60.53 1.53 1.5295 -2 3 1 4 60.66 1.11 1.5267 1 0 5 2 60.84 1.15 1.5226 -3 2 1 4 66.27 1.91 1.4103 0 4 0 2 66.69 3.34 1.4025 2 2 4 4 66.70 3.17 1.4023 -2 2 4 4 67.19 1.15 1.3933 4 0 0 2 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.