K2NaAl3F12 Le Bail A, Gao Y, Fourquet J, Jacoboni C Materials Research Bulletin 25 (1990) 831-839 Structure determination of A2NaAl3F12 (A=K,Na) _cod_database_code 1000147 _database_code_amcsd 0014347 CELL PARAMETERS: 11.8820 6.9830 6.9420 90.000 125.590 90.000 SPACE GROUP: P2_1/m X-RAY WAVELENGTH: 1.541838 Cell Volume: 468.398 Density (g/cm3): 2.907 MAX. ABS. INTENSITY / VOLUME**2: 4.221598979 RIR: 0.473 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 12.75 3.11 6.9420 -1 0 1 2 15.66 43.47 5.6597 1 1 0 4 15.70 56.02 5.6453 0 0 1 2 15.74 34.80 5.6304 -2 0 1 2 18.02 30.88 4.9232 -1 1 1 4 18.36 14.20 4.8312 2 0 0 2 20.23 5.09 4.3901 0 1 1 4 22.38 1.88 3.9730 2 1 0 4 22.39 9.59 3.9706 1 0 1 2 25.51 3.68 3.4915 0 2 0 2 25.67 30.99 3.4710 -2 0 2 2 25.81 34.87 3.4516 1 1 1 4 27.28 11.88 3.2695 -1 0 2 2 27.33 5.78 3.2637 -3 0 2 2 27.70 9.12 3.2208 3 0 0 2 28.72 6.99 3.1082 -2 1 2 4 30.09 90.66 2.9694 0 2 1 4 30.12 100.00 2.9673 -2 2 1 4 30.18 25.44 2.9610 -1 1 2 4 30.23 59.82 2.9567 -3 1 2 4 30.57 18.64 2.9248 2 0 1 2 30.57 42.05 2.9247 3 1 0 4 30.63 42.16 2.9186 -4 0 1 2 31.62 36.20 2.8299 2 2 0 4 31.70 13.31 2.8226 0 0 2 2 31.79 8.96 2.8152 -4 0 2 2 33.27 5.23 2.6928 -4 1 1 4 34.24 1.31 2.6190 -3 2 1 4 34.35 1.64 2.6110 -4 1 2 4 36.50 18.39 2.4616 -2 2 2 4 37.22 2.42 2.4156 4 0 0 2 37.69 2.92 2.3865 -1 2 2 4 37.73 7.04 2.3843 -3 2 2 4 38.01 1.46 2.3674 3 2 0 4 38.06 12.53 2.3642 1 0 2 2 38.92 7.59 2.3140 -3 0 3 2 39.46 11.76 2.2834 3 0 1 2 39.47 14.35 2.2829 4 1 0 4 39.53 6.93 2.2795 -5 0 1 2 40.22 22.67 2.2421 2 2 1 4 40.27 3.10 2.2394 1 1 2 4 40.27 22.72 2.2393 -4 2 1 4 40.38 2.75 2.2338 -5 1 2 4 40.89 1.67 2.2069 -1 3 1 4 41.09 6.92 2.1965 -3 1 3 4 41.12 5.66 2.1950 0 2 2 4 41.19 3.73 2.1915 -4 2 2 4 41.61 4.55 2.1703 3 1 1 4 41.68 4.82 2.1669 -5 1 1 4 41.99 26.32 2.1519 0 3 1 4 42.17 6.05 2.1431 -2 1 3 4 42.22 7.55 2.1407 -4 1 3 4 43.14 6.74 2.0970 2 3 0 4 43.31 14.21 2.0892 -1 0 3 2 43.41 20.24 2.0847 -5 0 3 2 45.31 11.17 2.0016 -1 1 3 4 45.67 1.51 1.9865 4 2 0 4 45.83 1.49 1.9801 -6 0 2 2 46.38 1.59 1.9577 1 2 2 4 46.48 9.39 1.9539 -5 2 2 4 47.00 4.26 1.9332 -2 3 2 4 47.58 1.41 1.9110 3 2 1 4 47.62 19.97 1.9096 2 1 2 4 47.64 18.97 1.9087 -5 2 1 4 48.01 24.35 1.8951 -3 3 2 4 48.08 6.31 1.8924 -2 2 3 4 48.13 1.76 1.8907 -4 2 3 4 48.24 26.24 1.8866 3 3 0 4 48.37 3.86 1.8818 0 0 3 2 48.51 19.22 1.8768 -6 0 3 2 48.89 4.09 1.8630 4 0 1 2 48.90 2.80 1.8625 5 1 0 4 48.96 14.77 1.8604 -6 0 1 2 50.13 1.86 1.8198 -4 3 1 4 50.84 3.67 1.7958 0 3 2 4 50.90 1.26 1.7939 -4 3 2 4 50.94 1.15 1.7928 -1 2 3 4 51.02 3.01 1.7899 -5 2 3 4 52.41 39.42 1.7457 0 4 0 2 52.75 9.07 1.7355 -4 0 4 2 53.06 20.49 1.7258 2 2 2 4 53.18 31.70 1.7224 -6 2 2 4 53.68 2.68 1.7073 -5 0 4 2 54.25 5.07 1.6908 5 2 0 4 54.87 4.81 1.6733 1 0 3 2 55.08 1.54 1.6674 -2 4 1 4 55.39 1.58 1.6587 1 3 2 4 55.40 1.75 1.6585 -5 1 4 4 55.47 5.99 1.6565 0 2 3 4 55.47 11.95 1.6564 -5 3 2 4 56.10 3.65 1.6393 -7 1 2 4 56.27 9.69 1.6348 -2 0 4 2 56.38 1.42 1.6319 -6 0 4 2 56.51 1.86 1.6286 -5 3 1 4 56.72 4.78 1.6230 -7 1 3 4 57.20 1.76 1.6104 6 0 0 2 57.94 10.12 1.5917 -2 1 4 4 58.91 1.57 1.5678 -7 0 1 2 59.25 7.40 1.5596 -2 4 2 4 59.45 3.16 1.5548 -1 3 3 4 60.30 8.19 1.5350 -3 2 4 4 60.35 4.92 1.5338 -5 2 4 4 60.45 3.58 1.5315 5 1 1 4 60.53 3.43 1.5296 -1 0 4 2 60.89 4.64 1.5215 3 2 2 4 61.02 4.23 1.5186 -7 2 2 4 61.38 1.51 1.5105 2 3 2 4 61.60 2.59 1.5056 -7 2 3 4 61.90 6.64 1.4990 2 4 1 4 61.94 15.34 1.4982 -4 4 1 4 62.53 10.72 1.4853 2 0 3 2 62.56 4.11 1.4847 0 4 2 4 62.61 7.67 1.4836 -4 4 2 4 62.73 3.09 1.4812 -8 0 3 2 62.76 2.68 1.4805 -2 2 4 4 62.86 8.17 1.4784 -6 2 4 4 63.63 2.17 1.4624 4 0 2 2 63.63 4.42 1.4624 6 2 0 4 63.78 6.36 1.4593 -8 0 2 2 64.01 4.19 1.4545 4 3 1 4 66.42 1.76 1.4076 -8 0 4 2 67.30 3.01 1.3913 -4 3 4 4 67.80 1.18 1.3822 1 5 0 4 67.90 1.67 1.3804 7 0 0 2 68.11 1.79 1.3767 -5 3 4 4 68.53 1.03 1.3692 -1 5 1 4 69.31 2.42 1.3557 0 5 1 4 69.46 1.17 1.3531 -8 0 1 2 69.71 4.97 1.3489 4 2 2 4 70.38 1.77 1.3378 -2 3 4 4 70.47 1.33 1.3362 -6 3 4 4 70.86 2.12 1.3298 6 1 1 4 71.63 2.05 1.3175 1 5 1 4 72.13 1.03 1.3095 -6 4 2 4 72.20 4.88 1.3085 0 2 4 4 72.39 4.91 1.3055 -8 2 4 4 72.65 1.38 1.3014 5 3 1 4 72.72 1.78 1.3003 -7 3 1 4 73.39 1.04 1.2901 -5 2 5 4 73.78 2.28 1.2843 -1 5 2 4 73.80 1.51 1.2840 -3 5 2 4 74.08 1.56 1.2798 0 4 3 4 74.12 10.36 1.2792 -4 2 5 4 74.18 2.84 1.2783 -1 3 4 4 74.19 4.30 1.2782 -6 4 3 4 74.32 1.15 1.2763 -2 0 5 2 74.32 1.61 1.2762 -7 3 4 4 74.48 2.33 1.2739 4 4 1 4 74.50 3.54 1.2737 -8 0 5 2 74.54 3.19 1.2730 -6 4 1 4 75.33 7.38 1.2617 -8 2 1 4 76.47 1.04 1.2457 -7 2 5 4 77.01 1.40 1.2383 4 3 2 4 77.56 3.78 1.2308 -4 4 4 4 78.33 2.62 1.2206 -5 4 4 4 79.23 1.10 1.2091 4 5 0 4 79.55 5.19 1.2050 5 2 2 4 79.82 1.77 1.2016 -5 5 2 4 80.05 1.32 1.1987 -2 2 5 4 80.29 1.38 1.1957 -3 5 3 4 80.49 2.95 1.1933 -2 4 4 4 80.69 1.05 1.1909 -5 5 1 4 80.75 2.02 1.1901 8 1 0 4 81.01 1.59 1.1869 -2 5 3 4 81.33 2.04 1.1831 -6 3 5 4 82.37 2.90 1.1708 6 3 1 4 82.97 2.01 1.1638 0 6 0 2 84.89 3.51 1.1423 2 5 2 4 85.13 2.09 1.1397 -2 6 1 4 85.90 1.55 1.1315 2 6 0 4 85.92 4.70 1.1313 2 4 3 4 86.63 4.20 1.1238 4 2 3 4 87.03 1.65 1.1197 2 2 4 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.