Al Cl4 Cs 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 1004044 _database_code_amcsd 0009684 CELL PARAMETERS: 11.6410 7.1160 9.3730 90.000 90.000 90.000 SPACE GROUP: Pnma X-RAY WAVELENGTH: 1.541838 Cell Volume: 776.435 Density (g/cm3): 2.581 MAX. ABS. INTENSITY / VOLUME**2: 12.11701603 RIR: 1.529 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 12.12 3.96 7.3006 1 0 1 4 15.22 16.68 5.8205 2 0 0 2 15.64 31.15 5.6677 0 1 1 4 17.40 32.16 5.0958 1 1 1 8 17.94 2.77 4.9447 2 0 1 4 18.94 29.88 4.6865 0 0 2 2 19.70 96.83 4.5053 2 1 0 4 20.43 50.46 4.3474 1 0 2 4 21.89 100.00 4.0606 2 1 1 8 23.99 93.56 3.7099 1 1 2 8 24.83 7.86 3.5852 3 0 1 4 25.03 57.17 3.5580 0 2 0 2 27.46 32.57 3.2479 2 1 2 8 27.86 7.52 3.2018 3 1 1 8 27.90 13.93 3.1984 1 2 1 8 29.42 40.11 3.0357 2 2 0 4 29.60 27.12 3.0175 1 0 3 4 29.90 42.04 2.9888 3 0 2 4 30.72 7.00 2.9102 4 0 0 2 30.96 94.34 2.8880 2 2 1 8 31.27 6.14 2.8607 0 1 3 4 32.21 61.70 2.7794 4 0 1 4 32.22 80.01 2.7781 1 1 3 8 32.49 68.81 2.7556 3 1 2 8 32.52 95.01 2.7534 1 2 2 8 32.53 3.41 2.7528 2 0 3 4 33.26 50.56 2.6937 4 1 0 4 34.95 1.13 2.5674 2 1 3 8 35.22 2.61 2.5479 2 2 2 8 35.55 4.92 2.5255 3 2 1 8 36.34 3.30 2.4723 4 0 2 4 36.94 34.69 2.4335 3 0 3 4 38.42 7.27 2.3433 0 0 4 2 39.12 10.69 2.3026 3 1 3 8 39.14 1.59 2.3013 1 2 3 8 39.18 5.86 2.2995 0 3 1 4 39.22 4.60 2.2972 1 0 4 4 39.96 3.26 2.2559 1 3 1 8 41.09 10.16 2.1966 2 3 0 4 41.22 8.90 2.1903 4 2 1 8 41.30 3.15 2.1861 1 1 4 8 41.47 1.17 2.1772 2 2 3 8 41.95 4.83 2.1536 5 1 1 8 42.26 13.82 2.1387 2 3 1 8 42.45 4.43 2.1295 4 0 3 4 43.40 5.25 2.0851 5 0 2 4 43.46 20.35 2.0822 1 3 2 8 43.53 1.39 2.0789 2 1 4 8 45.14 32.18 2.0087 3 2 3 8 45.32 9.37 2.0009 5 1 2 8 45.61 5.72 1.9890 2 3 2 8 46.40 2.17 1.9570 0 2 4 4 47.07 8.22 1.9306 3 1 4 8 47.09 23.58 1.9299 1 2 4 8 47.68 10.35 1.9074 5 2 1 8 48.17 1.44 1.8892 0 3 3 4 48.64 9.37 1.8718 6 1 0 4 48.78 4.27 1.8669 5 0 3 4 48.84 19.28 1.8648 1 3 3 8 49.03 19.45 1.8580 3 3 2 8 49.11 2.08 1.8549 2 2 4 8 49.23 2.75 1.8508 1 0 5 4 49.58 16.45 1.8386 4 3 0 4 49.67 24.80 1.8356 6 1 1 8 49.91 3.22 1.8272 4 2 3 8 49.97 1.15 1.8252 4 0 4 4 50.34 13.26 1.8128 0 1 5 4 50.54 8.35 1.8058 5 1 3 8 50.75 1.12 1.7989 5 2 2 8 51.20 1.11 1.7843 2 0 5 4 51.36 22.99 1.7790 0 4 0 2 51.71 6.73 1.7679 4 1 4 8 52.36 12.28 1.7473 3 2 4 8 52.90 10.80 1.7308 2 1 5 8 53.82 6.38 1.7034 6 2 0 4 53.89 1.26 1.7013 2 4 0 4 53.98 5.79 1.6986 3 3 3 8 54.35 2.45 1.6879 3 0 5 4 55.23 2.78 1.6632 0 4 2 4 55.59 34.32 1.6531 5 2 3 8 55.65 1.96 1.6516 5 0 4 4 55.70 2.24 1.6502 1 3 4 8 55.84 6.27 1.6465 1 4 2 8 55.99 4.24 1.6424 3 1 5 8 56.23 2.07 1.6360 5 3 1 8 57.26 3.97 1.6088 5 1 4 8 57.57 6.01 1.6009 6 2 2 8 57.78 1.22 1.5957 7 1 1 8 57.81 12.95 1.5950 2 2 5 8 57.86 1.46 1.5936 3 4 1 8 58.57 13.28 1.5760 4 0 5 4 58.93 10.29 1.5673 7 0 2 4 58.98 2.84 1.5660 5 3 2 8 59.14 4.65 1.5622 0 0 6 2 60.40 4.84 1.5325 1 4 3 8 60.44 3.75 1.5316 3 3 4 8 60.49 2.73 1.5306 7 1 2 8 60.57 7.26 1.5287 3 4 2 8 60.73 2.79 1.5250 3 2 5 8 61.05 1.37 1.5179 4 4 0 4 61.77 4.27 1.5018 6 3 0 4 61.93 14.92 1.4983 4 4 1 8 62.43 3.30 1.4875 7 2 1 8 62.65 9.30 1.4829 6 3 1 8 62.98 10.45 1.4760 2 1 6 8 63.22 6.97 1.4707 0 3 5 4 63.40 4.47 1.4670 5 3 3 8 63.98 4.51 1.4551 8 0 0 2 64.41 3.54 1.4465 4 3 4 8 64.69 6.65 1.4409 4 2 5 8 64.84 2.26 1.4379 8 0 1 4 64.85 7.80 1.4377 7 1 3 8 64.93 10.88 1.4362 3 4 3 8 65.03 5.31 1.4343 7 2 2 8 65.23 2.05 1.4303 5 1 5 8 65.45 4.69 1.4259 2 3 5 8 65.92 2.31 1.4169 0 4 4 4 66.32 2.48 1.4094 8 1 1 8 66.47 1.93 1.4065 1 4 4 8 67.39 1.38 1.3897 8 0 2 4 67.42 4.81 1.3890 2 2 6 8 67.79 3.27 1.3825 2 5 0 4 68.05 1.90 1.3778 6 2 4 8 68.19 2.77 1.3753 3 3 5 8 68.62 3.68 1.3677 2 5 1 8 68.76 1.59 1.3653 4 4 3 8 69.28 3.31 1.3562 7 0 4 4 69.33 1.41 1.3554 5 3 4 8 69.45 2.06 1.3533 5 4 2 8 69.50 2.60 1.3526 1 5 2 8 69.57 2.29 1.3514 4 1 6 8 69.60 2.35 1.3508 5 2 5 8 69.76 1.81 1.3481 6 0 5 4 69.83 4.10 1.3468 8 2 0 4 70.84 1.26 1.3302 1 0 7 4 71.10 2.05 1.3260 2 5 2 8 71.18 3.21 1.3246 6 1 5 8 71.73 1.17 1.3159 0 1 7 4 72.25 1.93 1.3076 7 3 2 8 72.25 2.25 1.3076 1 1 7 8 73.10 1.07 1.2944 8 2 2 8 73.54 2.34 1.2879 5 4 3 8 73.58 6.08 1.2872 1 5 3 8 73.73 4.73 1.2850 3 5 2 8 73.89 1.24 1.2826 1 4 5 8 74.17 2.98 1.2785 4 5 0 4 74.54 4.89 1.2731 2 3 6 8 75.04 1.05 1.2658 3 0 7 4 75.40 2.02 1.2607 6 2 5 8 76.28 5.27 1.2483 7 3 3 8 76.63 1.34 1.2434 5 3 5 8 77.65 1.65 1.2296 8 3 1 8 77.76 1.23 1.2281 9 1 2 8 77.97 1.72 1.2254 7 1 5 8 77.99 2.14 1.2251 2 2 7 8 78.04 1.45 1.2245 3 4 5 8 78.66 4.18 1.2164 4 0 7 4 79.13 1.17 1.2104 5 4 4 8 79.51 1.72 1.2055 9 2 1 8 80.55 1.59 1.1925 3 2 7 8 80.72 1.90 1.1905 4 3 6 8 81.09 1.59 1.1860 0 6 0 2 81.61 8.73 1.1797 4 4 5 8 81.70 1.96 1.1786 9 1 3 8 81.86 3.92 1.1767 9 2 2 8 81.92 6.84 1.1760 7 4 2 8 81.97 1.76 1.1755 5 5 2 8 82.11 3.11 1.1738 0 4 6 4 82.26 1.60 1.1721 6 3 5 8 82.29 1.61 1.1716 0 0 8 2 82.77 1.03 1.1660 0 3 7 4 82.80 1.46 1.1657 1 0 8 4 83.12 1.32 1.1621 2 6 0 4 83.24 1.27 1.1607 3 5 4 8 83.28 1.39 1.1602 1 3 7 8 83.90 3.37 1.1533 2 6 1 8 84.07 8.05 1.1513 6 2 6 8 84.10 1.29 1.1510 4 2 7 8 84.30 1.34 1.1488 10 1 0 4 84.41 1.44 1.1476 6 5 0 4 84.72 4.21 1.1442 1 6 2 8 85.19 5.01 1.1391 6 5 1 8 85.59 2.73 1.1348 8 1 5 8 85.67 1.14 1.1339 2 1 8 8 85.70 1.97 1.1335 0 5 5 4 85.76 1.19 1.1329 9 2 3 8 85.86 1.32 1.1318 5 5 3 8 86.38 3.48 1.1263 8 4 0 4 86.77 1.12 1.1223 4 5 4 8 87.16 3.50 1.1183 9 1 4 8 87.16 1.74 1.1183 8 4 1 8 87.41 2.24 1.1158 10 1 2 8 87.72 2.29 1.1126 2 5 5 8 88.18 2.85 1.1079 3 1 8 8 88.20 4.80 1.1078 1 2 8 8 88.81 1.39 1.1017 7 3 5 8 89.12 3.56 1.0988 10 2 1 8 89.49 1.16 1.0952 8 4 2 8 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.