NaRb2Al3F12 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 1000146 _database_code_amcsd 0014346 CELL PARAMETERS: 12.0460 6.9840 7.0930 90.000 125.040 90.000 SPACE GROUP: P2_1/m X-RAY WAVELENGTH: 1.541838 Cell Volume: 488.573 Density (g/cm3): 3.418 MAX. ABS. INTENSITY / VOLUME**2: 9.202340897 RIR: 0.877 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 15.26 3.14 5.8074 0 0 1 2 15.55 4.94 5.6997 1 1 0 4 17.82 11.67 4.9761 -1 1 1 4 17.99 2.64 4.9313 2 0 0 2 19.88 1.99 4.4653 0 1 1 4 20.09 2.13 4.4204 -2 1 1 4 21.77 2.32 4.0832 1 0 1 2 22.14 1.29 4.0151 -3 0 1 2 25.11 49.03 3.5459 -2 0 2 2 25.27 91.28 3.5249 1 1 1 4 25.51 23.87 3.4920 0 2 0 2 25.59 33.49 3.4809 -3 1 1 4 26.56 2.27 3.3560 -1 0 2 2 27.12 3.58 3.2876 3 0 0 2 28.23 5.19 3.1618 -2 1 2 4 29.53 49.23 3.0249 -1 1 2 4 29.75 30.37 3.0033 2 0 1 2 29.81 72.40 2.9969 -3 1 2 4 29.86 79.47 2.9926 0 2 1 4 30.00 100.00 2.9790 -2 2 1 4 30.04 57.41 2.9745 3 1 0 4 30.17 50.79 2.9625 -4 0 1 2 30.79 8.98 2.9037 0 0 2 2 31.33 6.07 2.8548 -4 0 2 2 31.39 20.56 2.8498 2 2 0 4 32.84 4.05 2.7273 -4 1 1 4 34.03 1.82 2.6349 -3 2 1 4 36.10 45.00 2.4881 -2 2 2 4 36.44 17.66 2.4657 4 0 0 2 36.95 3.06 2.4327 1 0 2 2 37.16 1.48 2.4197 -1 2 2 4 37.39 4.91 2.4053 -3 2 2 4 38.07 2.07 2.3640 -3 0 3 2 38.44 4.43 2.3420 3 0 1 2 38.73 5.10 2.3250 4 1 0 4 38.88 2.52 2.3161 -5 0 1 2 39.02 5.51 2.3082 -2 0 3 2 39.22 7.41 2.2973 1 1 2 4 39.35 10.17 2.2896 -4 0 3 2 39.58 37.66 2.2770 2 2 1 4 39.78 8.32 2.2657 1 3 0 4 39.87 9.59 2.2609 -5 1 2 4 39.91 22.69 2.2591 -4 2 1 4 40.28 1.33 2.2392 -3 1 3 4 40.80 1.38 2.2119 -1 3 1 4 41.06 2.73 2.1984 -5 1 1 4 41.80 6.69 2.1608 0 3 1 4 42.09 7.22 2.1467 -1 0 3 2 42.71 10.16 2.1169 -5 0 3 2 42.96 2.28 2.1052 2 3 0 4 44.13 17.17 2.0520 -1 1 3 4 44.37 4.67 2.0416 2 0 2 2 44.73 4.40 2.0259 -5 1 3 4 44.82 4.69 2.0224 1 3 1 4 45.01 5.08 2.0142 4 2 0 4 45.01 5.87 2.0140 -3 3 1 4 45.16 3.34 2.0076 -6 0 2 2 46.02 4.34 1.9720 -5 2 2 4 46.33 5.89 1.9596 2 1 2 4 46.67 2.55 1.9461 -2 3 2 4 46.94 18.31 1.9358 0 0 3 2 47.08 6.49 1.9301 -5 2 1 4 47.10 1.60 1.9294 -6 1 2 4 47.20 6.37 1.9256 -2 2 3 4 47.49 3.99 1.9147 -4 2 3 4 47.53 1.84 1.9128 -1 3 2 4 47.63 3.09 1.9093 4 0 1 2 47.72 21.93 1.9057 -3 3 2 4 47.79 17.44 1.9032 -6 0 3 2 47.88 25.57 1.8999 3 3 0 4 47.92 6.02 1.8983 5 1 0 4 48.10 9.13 1.8917 -6 0 1 2 50.23 1.07 1.8163 0 3 2 4 51.55 11.28 1.7730 -4 0 4 2 51.88 27.08 1.7625 2 2 2 4 52.40 30.65 1.7460 0 4 0 2 52.58 41.85 1.7404 -6 2 2 4 52.61 1.86 1.7396 -5 0 4 2 53.19 2.01 1.7219 1 0 3 2 53.34 2.24 1.7175 5 2 0 4 54.35 4.89 1.6880 -5 1 4 4 54.43 1.30 1.6857 3 1 2 4 54.56 4.36 1.6819 1 3 2 4 54.70 1.78 1.6780 -2 0 4 2 54.80 2.07 1.6752 4 2 1 4 55.07 1.00 1.6675 -5 3 2 4 55.94 2.09 1.6438 -7 1 3 4 56.39 5.00 1.6316 -2 1 4 4 57.80 1.29 1.5951 -7 0 1 2 58.37 7.24 1.5809 -4 2 4 4 58.48 9.79 1.5782 -1 3 3 4 58.72 2.38 1.5723 -1 0 4 2 58.95 9.15 1.5667 5 1 1 4 58.97 10.06 1.5664 -2 4 2 4 58.97 4.88 1.5662 -5 3 3 4 59.03 3.51 1.5649 -3 2 4 4 59.35 2.59 1.5571 -5 2 4 4 59.43 1.43 1.5553 3 2 2 4 59.44 5.18 1.5550 -7 1 1 4 60.24 3.53 1.5363 -7 2 2 4 60.34 5.10 1.5339 -1 1 4 4 60.60 7.17 1.5281 2 0 3 2 60.86 1.18 1.5222 -7 2 3 4 61.29 2.92 1.5125 -2 2 4 4 61.30 2.10 1.5122 -7 1 4 4 61.42 7.28 1.5094 2 4 1 4 61.63 3.13 1.5049 5 3 0 4 61.66 14.59 1.5042 -4 4 1 4 61.78 2.31 1.5016 4 0 2 2 61.79 3.42 1.5014 -8 0 3 2 61.92 3.22 1.4985 -6 2 4 4 62.02 1.16 1.4963 0 4 2 4 62.34 3.83 1.4895 -4 4 2 4 62.73 3.82 1.4812 -8 0 2 2 62.96 1.93 1.4763 4 3 1 4 66.34 1.42 1.4090 7 0 0 2 66.91 1.66 1.3985 -8 1 4 4 67.18 1.47 1.3935 -5 3 4 4 69.05 1.12 1.3602 6 1 1 4 69.83 1.11 1.3470 -5 4 3 4 70.00 2.86 1.3440 -3 1 5 4 70.21 7.18 1.3406 0 2 4 4 70.49 2.53 1.3359 3 1 3 4 70.74 1.52 1.3318 -7 1 5 4 71.04 1.63 1.3269 2 4 2 4 71.29 2.23 1.3229 5 3 1 4 71.37 4.11 1.3216 1 5 1 4 71.39 5.28 1.3213 -8 2 4 4 71.63 2.61 1.3174 -6 4 2 4 71.73 4.36 1.3158 -7 3 1 4 72.04 1.93 1.3109 -2 0 5 2 72.29 1.63 1.3070 1 1 4 4 72.39 5.65 1.3054 -4 2 5 4 72.55 2.85 1.3030 -1 3 4 4 72.76 3.09 1.2998 -6 2 5 4 72.97 4.97 1.2965 0 4 3 4 73.09 1.65 1.2947 5 1 2 4 73.14 2.56 1.2939 -8 0 5 2 73.43 2.95 1.2896 -7 3 4 4 73.43 3.30 1.2896 -1 5 2 4 73.48 3.95 1.2888 6 2 1 4 73.50 2.74 1.2885 4 4 1 4 73.57 2.71 1.2874 -3 5 2 4 73.62 4.21 1.2866 -6 4 3 4 73.69 1.70 1.2856 3 5 0 4 73.86 2.23 1.2830 -6 4 1 4 73.99 5.90 1.2812 -8 2 1 4 75.12 2.08 1.2646 -7 2 5 4 75.31 1.02 1.2619 4 3 2 4 76.59 6.12 1.2440 -4 4 4 4 77.41 2.66 1.2328 8 0 0 2 77.42 3.67 1.2327 5 2 2 4 77.45 1.59 1.2323 -5 4 4 4 78.84 1.24 1.2141 8 1 0 4 79.48 1.91 1.2059 -5 5 2 4 81.54 1.03 1.1805 -3 3 5 4 82.01 1.07 1.1750 3 3 3 4 82.35 1.30 1.1710 6 0 2 2 82.37 1.24 1.1708 -1 5 3 4 82.95 2.03 1.1640 0 6 0 2 83.73 1.04 1.1552 1 3 4 4 83.94 1.14 1.1528 2 5 2 4 84.04 2.93 1.1517 4 2 3 4 84.20 3.34 1.1499 2 4 3 4 84.50 1.59 1.1466 5 3 2 4 85.05 2.66 1.1405 -2 6 1 4 85.11 1.01 1.1399 5 5 0 4 85.24 1.30 1.1385 4 4 2 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.