Al Cl4 Na Mairesse G, Barbier P, Wignacourt J Acta Crystallographica B35 (1979) 1573-1580 Comparison of the crystal structures of alkaline (M = Li, Na, K, Rb, Cs) and Pseudo-alkaline (M = N O, N H4) Tetrachloroaluminates, MAlCl4 _cod_database_code 1004043 _database_code_amcsd 0009683 CELL PARAMETERS: 9.8860 6.6170 10.3220 90.000 90.000 90.000 SPACE GROUP: P2_12_12_1 X-RAY WAVELENGTH: 1.541838 Cell Volume: 675.220 Density (g/cm3): 1.886 MAX. ABS. INTENSITY / VOLUME**2: 5.203462285 RIR: 0.898 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 12.40 3.21 7.1396 1 0 1 4 15.91 54.38 5.5706 0 1 1 4 17.18 24.89 5.1610 0 0 2 2 17.95 14.34 4.9430 2 0 0 2 18.28 17.09 4.8532 1 1 1 4 19.40 6.04 4.5751 1 0 2 4 19.92 1.31 4.4582 2 0 1 4 21.84 2.22 4.0695 0 1 2 4 22.45 13.39 3.9601 2 1 0 4 23.64 13.60 3.7632 1 1 2 4 24.07 23.18 3.6973 2 1 1 4 24.94 43.81 3.5698 2 0 2 4 26.95 9.12 3.3085 0 2 0 2 27.45 22.99 3.2495 1 0 3 4 28.33 20.69 3.1506 0 2 1 4 28.41 76.28 3.1418 2 1 2 4 28.43 20.94 3.1392 3 0 1 4 28.45 82.22 3.1375 1 2 0 4 29.26 4.82 3.0526 0 1 3 4 29.76 8.25 3.0019 1 2 1 4 30.30 3.31 2.9498 3 1 0 4 30.65 100.00 2.9168 1 1 3 4 31.54 53.43 2.8362 3 1 1 4 32.23 21.22 2.7774 3 0 2 4 32.57 3.42 2.7495 2 2 0 4 33.42 21.94 2.6809 1 2 2 4 33.74 32.43 2.6568 2 2 1 4 34.53 3.56 2.5973 2 1 3 4 34.76 16.39 2.5805 0 0 4 2 35.04 30.84 2.5610 3 1 2 4 36.35 9.97 2.4715 4 0 0 2 37.05 4.73 2.4266 2 2 2 4 37.42 11.65 2.4036 4 0 1 4 37.72 15.53 2.3848 0 2 3 4 38.54 3.31 2.3361 1 1 4 4 38.85 8.86 2.3183 1 2 3 4 39.39 23.63 2.2875 2 0 4 4 39.57 10.61 2.2773 3 2 1 4 39.91 8.71 2.2591 4 1 1 4 40.27 1.57 2.2394 3 1 3 4 40.47 9.47 2.2291 4 0 2 4 41.78 1.85 2.1620 2 1 4 4 41.88 1.53 2.1570 0 3 1 4 42.07 1.67 2.1479 2 2 3 4 42.50 7.68 2.1272 3 2 2 4 42.81 9.91 2.1124 4 1 2 4 42.92 9.51 2.1074 1 3 1 4 44.53 1.02 2.0348 0 2 4 4 44.60 3.38 2.0317 3 0 4 4 44.85 11.28 2.0208 1 0 5 4 45.51 1.57 1.9930 1 2 4 4 45.66 2.74 1.9868 1 3 2 4 45.90 20.88 1.9769 2 3 1 4 46.77 5.69 1.9422 3 1 4 4 46.78 2.74 1.9419 5 0 1 4 47.02 3.20 1.9327 1 1 5 4 47.04 3.44 1.9320 3 2 3 4 47.32 2.30 1.9209 4 1 3 4 47.74 2.57 1.9049 2 0 5 4 48.03 2.79 1.8944 5 1 0 4 48.52 5.80 1.8764 2 3 2 4 49.06 31.49 1.8569 0 3 3 4 49.29 1.06 1.8487 4 2 2 4 49.98 3.27 1.8250 1 3 3 4 50.58 6.91 1.8047 3 3 1 4 51.18 2.31 1.7849 4 0 4 4 51.38 9.73 1.7784 5 1 2 4 52.29 20.36 1.7495 3 0 5 4 52.65 3.30 1.7383 2 3 3 4 52.88 8.75 1.7313 3 2 4 4 53.02 24.29 1.7273 3 3 2 4 53.15 1.08 1.7233 4 1 4 4 53.25 3.47 1.7203 0 0 6 2 53.39 1.39 1.7161 4 2 3 4 53.45 2.56 1.7143 5 0 3 4 54.03 4.63 1.6972 5 2 0 4 54.23 1.19 1.6913 3 1 5 4 54.82 5.60 1.6747 5 2 1 4 55.16 2.68 1.6650 0 1 6 4 55.36 7.46 1.6595 5 1 3 4 55.60 1.20 1.6530 1 3 4 4 55.68 21.77 1.6509 2 2 5 4 55.79 5.83 1.6477 6 0 0 2 56.01 2.06 1.6419 1 1 6 4 56.39 4.87 1.6316 1 4 0 4 56.56 1.97 1.6271 6 0 1 4 56.64 6.84 1.6251 4 3 1 4 56.92 7.34 1.6177 3 3 3 4 57.13 1.49 1.6123 5 2 2 4 57.16 1.22 1.6116 1 4 1 4 57.65 3.95 1.5988 6 1 0 4 58.09 2.35 1.5878 2 3 4 4 58.41 2.25 1.5800 6 1 1 4 58.49 1.08 1.5779 2 1 6 4 58.60 1.04 1.5753 0 4 2 4 58.78 4.92 1.5709 4 2 4 4 58.83 2.48 1.5696 6 0 2 4 58.84 2.39 1.5695 5 0 4 4 58.87 1.51 1.5687 2 4 0 4 59.61 1.21 1.5509 2 4 1 4 59.80 3.13 1.5466 3 2 5 4 60.04 3.66 1.5408 4 1 5 4 60.63 5.05 1.5272 6 1 2 4 60.64 2.93 1.5271 5 1 4 4 60.73 2.43 1.5250 3 0 6 4 60.86 1.67 1.5221 5 2 3 4 61.47 4.59 1.5085 1 2 6 4 61.53 2.27 1.5072 0 3 5 4 61.81 1.82 1.5009 2 4 2 4 62.50 6.42 1.4861 3 1 6 4 62.57 2.26 1.4846 4 3 3 4 63.57 3.13 1.4635 3 4 1 4 63.74 4.80 1.4601 6 2 1 4 63.82 1.27 1.4584 1 0 7 4 63.82 1.59 1.4584 2 2 6 4 63.87 5.13 1.4575 5 3 1 4 65.30 2.35 1.4290 4 2 5 4 65.54 3.34 1.4243 1 1 7 4 66.86 1.66 1.3992 7 0 1 4 67.05 2.35 1.3958 5 1 5 4 67.22 1.92 1.3927 0 4 4 4 67.51 3.29 1.3875 4 3 4 4 67.98 2.30 1.3790 1 4 4 4 68.45 1.95 1.3707 3 3 5 4 68.55 1.23 1.3690 7 1 1 4 68.91 1.12 1.3627 4 4 1 4 69.11 2.78 1.3591 6 1 4 4 69.16 2.42 1.3583 3 4 3 4 69.26 1.50 1.3565 0 3 6 4 69.32 4.09 1.3556 6 2 3 4 69.89 2.05 1.3460 3 0 7 4 70.01 3.24 1.3439 1 3 6 4 70.57 1.48 1.3345 1 2 7 4 70.95 1.48 1.3284 4 4 2 4 71.53 1.55 1.3190 3 1 7 4 72.14 1.07 1.3094 6 3 1 4 72.22 1.70 1.3081 2 3 6 4 72.32 2.01 1.3065 7 0 3 4 72.78 1.54 1.2995 2 2 7 4 73.61 1.26 1.2868 4 3 5 4 73.88 2.31 1.2828 3 4 4 4 74.06 1.76 1.2801 1 4 5 4 74.14 1.47 1.2789 6 3 2 4 74.15 3.18 1.2788 5 3 4 4 74.84 1.10 1.2687 5 4 0 4 75.47 1.90 1.2596 7 2 2 4 75.50 1.03 1.2593 5 4 1 4 76.27 1.06 1.2484 2 0 8 4 76.61 1.41 1.2437 4 1 7 4 76.82 5.24 1.2409 2 5 2 4 77.24 1.34 1.2352 0 5 3 4 77.44 3.86 1.2324 6 3 3 4 77.87 2.98 1.2268 2 1 8 4 77.94 2.59 1.2259 0 3 7 4 77.95 3.17 1.2257 1 5 3 4 78.42 2.00 1.2195 3 5 1 4 79.80 1.62 1.2018 8 0 2 4 80.08 1.12 1.1983 2 5 3 4 80.72 1.14 1.1904 5 4 3 4 80.82 1.33 1.1892 4 3 6 4 81.36 1.02 1.1826 4 2 7 4 81.41 1.55 1.1820 5 0 7 4 81.99 1.67 1.1752 6 3 4 4 82.33 3.64 1.1712 6 1 6 4 83.30 1.28 1.1600 6 4 1 4 84.60 1.67 1.1455 8 1 3 4 86.60 1.55 1.1241 7 3 3 4 87.13 2.71 1.1186 5 3 6 4 87.27 1.03 1.1172 2 0 9 4 87.53 2.94 1.1145 8 0 4 4 87.77 1.30 1.1121 6 3 5 4 88.31 2.64 1.1067 1 3 8 4 88.43 1.40 1.1055 6 4 3 4 89.40 1.02 1.0960 1 6 0 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.