[Mg(H2O)6]CsCl3 Waizumi K, Masuda H, Ohtaki H, Scripkin M Y, Burkov K A American Mineralogist 76 (1991) 1884-1888 Crystallographic investigations of [Mg(H2O)6]XCl3 double salts (X = K, Rb, Cs, NH4): Crystal structure of [Mg(H2O)6]CsCl3 Note: modified perovskite structure _database_code_amcsd 0001434 CELL PARAMETERS: 6.7507 13.4950 6.7500 90.130 91.150 90.180 SPACE GROUP: P1 X-RAY WAVELENGTH: 1.541838 Cell Volume: 614.801 Density (g/cm3): 2.007 MAX. ABS. INTENSITY / VOLUME**2: 11.72703181 RIR: 1.902 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 13.12 26.21 6.7493 1 0 0 1 13.12 26.37 6.7486 0 0 1 1 13.12 26.79 6.7474 0 2 0 1 18.40 38.16 4.8209 -1 0 1 1 18.56 32.53 4.7794 -1 2 0 1 18.57 32.03 4.7772 0 -2 1 1 18.62 33.03 4.7660 0 2 1 1 18.62 32.99 4.7642 1 2 0 1 18.78 27.73 4.7250 1 0 1 1 26.41 49.78 3.3747 2 0 0 1 26.41 50.22 3.3743 0 0 2 1 26.42 50.82 3.3737 0 4 0 1 29.35 11.89 3.0429 -2 0 1 1 29.35 12.06 3.0427 -1 0 2 1 29.56 8.12 3.0221 -2 2 0 1 29.56 23.61 3.0216 -1 4 0 1 29.57 8.08 3.0208 0 -2 2 1 29.57 23.41 3.0205 0 -4 1 1 29.63 22.90 3.0152 0 2 2 1 29.63 8.02 3.0148 0 4 1 1 29.64 23.06 3.0144 2 2 0 1 29.64 7.89 3.0139 1 4 0 1 29.84 18.08 2.9944 2 0 1 1 29.84 18.12 2.9942 1 0 2 1 30.09 3.19 2.9695 -2 1 1 1 30.10 3.19 2.9686 -1 -1 2 1 30.61 1.47 2.9210 1 1 2 1 30.61 1.56 2.9209 2 1 1 1 32.25 6.60 2.7757 -2 2 1 1 32.27 6.59 2.7744 -1 -2 2 1 32.28 1.33 2.7730 -1 2 2 1 32.30 1.36 2.7720 -2 -2 1 1 32.38 2.50 2.7649 -1 4 1 1 32.40 2.51 2.7633 -1 -4 1 1 32.55 1.10 2.7507 1 -4 1 1 32.67 7.85 2.7409 2 -2 1 1 32.67 13.85 2.7407 1 4 1 1 32.68 7.87 2.7404 1 -2 2 1 32.76 1.93 2.7333 1 2 2 1 32.77 1.89 2.7331 2 2 1 1 35.97 1.31 2.4971 2 -3 1 1 35.97 1.33 2.4965 1 -3 2 1 37.30 19.33 2.4104 -2 0 2 1 37.64 15.10 2.3897 -2 4 0 1 37.66 15.21 2.3886 0 -4 2 1 37.75 15.48 2.3830 0 4 2 1 37.76 15.54 2.3821 2 4 0 1 38.09 11.29 2.3625 2 0 2 1 39.70 5.41 2.2704 -2 2 2 1 39.72 5.45 2.2695 -2 -2 2 1 39.86 5.67 2.2616 -2 4 1 1 39.89 5.73 2.2602 -1 -4 2 1 39.91 7.75 2.2587 -1 4 2 1 39.94 7.68 2.2575 -2 -4 1 1 40.08 3.79 2.2498 3 0 0 1 40.08 3.65 2.2495 0 0 3 1 40.09 3.72 2.2491 0 6 0 1 40.19 4.67 2.2438 2 -4 1 1 40.20 4.65 2.2433 1 -4 2 1 40.34 3.03 2.2356 1 4 2 1 40.35 3.06 2.2352 2 4 1 1 40.40 2.97 2.2325 2 -2 2 1 40.50 6.75 2.2271 2 2 2 1 42.08 4.22 2.1473 -3 0 1 1 42.08 4.17 2.1471 -1 0 3 1 42.31 5.28 2.1363 -3 2 0 1 42.32 1.43 2.1358 -1 6 0 1 42.32 5.29 2.1356 0 -2 3 1 42.33 1.43 2.1353 0 -6 1 1 42.38 1.36 2.1326 0 2 3 1 42.39 5.48 2.1323 0 6 1 1 42.39 1.35 2.1322 3 2 0 1 42.40 5.57 2.1318 1 6 0 1 42.62 2.27 2.1216 3 0 1 1 42.62 2.27 2.1214 1 0 3 1 44.69 1.13 2.0278 1 6 1 1 46.28 7.04 1.9618 -2 4 2 1 46.31 6.93 1.9607 -2 -4 2 1 46.86 9.43 1.9387 2 -4 2 1 47.04 9.34 1.9317 2 4 2 1 48.16 1.15 1.8895 -3 0 2 1 48.16 1.18 1.8894 -2 0 3 1 48.57 1.44 1.8745 -3 4 0 1 48.57 2.26 1.8743 -2 6 0 1 48.59 1.45 1.8736 0 -4 3 1 48.60 2.23 1.8735 0 -6 2 1 48.70 2.24 1.8696 0 4 3 1 48.71 1.55 1.8695 0 6 2 1 48.72 2.24 1.8690 3 4 0 1 48.73 1.54 1.8688 2 6 0 1 49.12 2.60 1.8548 3 0 2 1 49.12 2.58 1.8547 2 0 3 1 50.12 2.28 1.8201 -3 2 2 1 50.14 2.25 1.8195 -2 -2 3 1 50.14 1.13 1.8193 -2 2 3 1 50.16 1.15 1.8188 -3 -2 2 1 50.32 1.57 1.8134 -3 4 1 1 50.35 1.59 1.8124 -1 -4 3 1 50.41 1.10 1.8104 -1 4 3 1 50.41 1.86 1.8103 -2 6 1 1 50.43 1.12 1.8096 -3 -4 1 1 50.44 1.87 1.8092 -1 -6 2 1 50.48 1.68 1.8081 -1 6 2 1 50.50 1.64 1.8071 -2 -6 1 1 50.67 1.03 1.8017 2 -6 1 1 50.68 1.03 1.8013 1 -6 2 1 50.75 2.83 1.7990 3 -4 1 1 50.76 2.80 1.7985 1 -4 3 1 50.86 2.42 1.7953 1 6 2 1 50.87 2.42 1.7950 2 6 1 1 50.92 1.61 1.7933 1 4 3 1 50.93 1.57 1.7929 3 4 1 1 51.02 1.92 1.7902 3 -2 2 1 51.02 1.96 1.7900 2 -2 3 1 51.12 1.44 1.7867 2 2 3 1 51.12 1.49 1.7866 3 2 2 1 54.37 4.17 1.6873 4 0 0 1 54.38 4.20 1.6872 0 0 4 1 54.39 4.37 1.6869 0 8 0 1 55.73 1.12 1.6495 -3 4 2 1 55.76 1.11 1.6486 -2 -4 3 1 55.77 1.53 1.6484 -2 4 3 1 55.80 1.56 1.6476 -3 -4 2 1 56.16 1.13 1.6378 -1 8 0 1 56.17 1.14 1.6374 0 -8 1 1 56.23 1.09 1.6359 0 2 4 1 56.24 1.09 1.6357 4 2 0 1 56.24 1.03 1.6356 0 8 1 1 56.25 1.04 1.6353 1 8 0 1 56.37 1.58 1.6321 2 -6 2 1 56.48 1.31 1.6293 4 0 1 1 56.49 1.35 1.6291 1 0 4 1 56.61 1.02 1.6259 2 6 2 1 57.34 1.11 1.6070 -3 0 3 1 57.65 1.27 1.5989 -4 2 1 1 57.67 1.32 1.5984 -1 -2 4 1 57.72 1.12 1.5973 -1 2 4 1 57.73 1.11 1.5970 -4 -2 1 1 57.91 1.18 1.5925 -1 8 1 1 57.93 1.17 1.5919 -1 -8 1 1 57.98 1.05 1.5906 1 -8 1 1 58.14 1.38 1.5867 1 8 1 1 58.20 1.31 1.5851 4 -2 1 1 58.22 1.29 1.5847 1 -2 4 1 58.31 1.10 1.5825 1 2 4 1 58.31 1.11 1.5824 4 2 1 1 60.89 3.75 1.5214 -4 0 2 1 60.89 3.74 1.5213 -2 0 4 1 61.35 2.71 1.5110 -4 4 0 1 61.36 3.97 1.5108 -2 8 0 1 61.38 2.67 1.5104 0 -4 4 1 61.39 3.96 1.5102 0 -8 2 1 61.51 3.90 1.5076 0 4 4 1 61.52 2.73 1.5074 0 8 2 1 61.53 3.90 1.5072 4 4 0 1 61.54 2.73 1.5069 2 8 0 1 61.98 2.86 1.4972 4 0 2 1 61.99 2.87 1.4971 2 0 4 1 62.79 1.05 1.4799 -4 4 1 1 62.82 1.05 1.4792 -1 -4 4 1 67.49 1.91 1.3879 -4 4 2 1 67.52 1.91 1.3872 -2 -4 4 1 67.56 1.95 1.3865 -2 4 4 1 67.59 1.94 1.3860 -4 -4 2 1 67.79 2.53 1.3824 -2 8 2 1 67.83 2.52 1.3817 -2 -8 2 1 68.18 1.78 1.3754 2 -8 2 1 68.46 2.26 1.3704 4 -4 2 1 68.47 1.89 1.3703 2 8 2 1 68.48 2.29 1.3702 2 -4 4 1 68.68 2.37 1.3666 2 4 4 1 68.69 2.36 1.3665 4 4 2 1 69.68 1.02 1.3495 0 10 0 1 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.