CaMnBr4.8H2O Duhlev R, Brown I D Acta Crystallographica C46 (1990) 538-541 Structure of calcium manganese(II) tetrabromide octahydrate _database_code_amcsd 0010121 CELL PARAMETERS: 9.0620 9.5820 9.4050 90.000 112.960 90.000 SPACE GROUP: C2/m X-RAY WAVELENGTH: 1.541838 Cell Volume: 751.958 Density (g/cm3): 2.396 MAX. ABS. INTENSITY / VOLUME**2: 11.89813505 RIR: 1.617 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 10.21 47.04 8.6599 0 0 1 2 14.07 63.25 6.2926 1 1 0 4 14.77 25.78 5.9985 -1 1 1 4 18.52 22.77 4.7910 0 2 0 2 19.69 24.36 4.5087 -2 0 1 2 20.51 11.80 4.3300 0 0 2 2 21.19 37.12 4.1922 0 2 1 4 21.21 25.65 4.1886 -1 1 2 4 21.30 100.00 4.1720 2 0 0 2 23.13 11.18 3.8461 -2 0 2 2 27.10 8.65 3.2901 2 0 1 2 27.16 8.45 3.2834 -2 2 1 4 27.77 26.48 3.2124 0 2 2 4 28.25 14.72 3.1593 1 1 2 4 28.37 1.40 3.1463 2 2 0 4 29.79 64.97 2.9992 -2 2 2 4 29.96 59.44 2.9829 1 3 0 4 30.00 18.25 2.9790 -2 0 3 2 30.02 21.98 2.9765 -1 1 3 4 30.30 11.44 2.9498 -1 3 1 4 30.98 53.71 2.8866 0 0 3 2 32.11 22.44 2.7873 -3 1 2 4 33.03 33.83 2.7122 2 2 1 4 33.10 5.18 2.7065 1 3 1 4 33.55 23.72 2.6711 3 1 0 4 35.22 1.03 2.5484 2 0 2 2 36.27 6.01 2.4769 -3 1 3 4 37.55 34.37 2.3955 0 4 0 2 37.92 3.28 2.3725 1 1 3 4 38.67 22.26 2.3286 -2 0 4 2 38.83 4.23 2.3194 3 1 1 4 39.01 3.08 2.3088 0 4 1 4 39.85 5.08 2.2621 -1 1 4 4 40.08 9.87 2.2499 2 2 2 4 40.33 17.88 2.2363 -4 0 1 2 40.34 26.69 2.2360 -1 3 3 4 41.19 5.26 2.1914 -3 3 1 4 41.72 4.84 2.1650 0 0 4 2 42.42 4.83 2.1308 -4 0 3 2 42.74 4.83 2.1155 -2 4 1 4 43.13 21.51 2.0975 3 3 0 4 43.20 2.08 2.0943 -2 2 4 4 43.38 10.04 2.0860 4 0 0 2 43.57 15.93 2.0774 2 4 0 4 44.41 9.48 2.0398 -4 2 2 4 44.60 16.32 2.0318 2 0 3 2 45.36 6.60 1.9995 -3 3 3 4 46.74 11.54 1.9434 1 3 3 4 47.27 14.23 1.9231 -4 0 4 2 48.31 1.20 1.8838 1 1 4 4 48.38 6.06 1.8813 -1 3 4 4 48.68 1.41 1.8705 2 2 3 4 48.73 1.86 1.8688 4 0 1 2 48.78 5.99 1.8668 -2 4 3 4 49.44 13.07 1.8434 0 4 3 4 50.36 1.53 1.8118 -1 1 5 4 50.91 2.17 1.7938 1 5 1 4 50.93 4.70 1.7929 -3 3 4 4 51.57 6.35 1.7722 -1 5 2 4 52.26 9.40 1.7503 -2 2 5 4 52.56 2.17 1.7411 4 2 1 4 53.88 1.24 1.7015 3 3 2 4 54.87 1.92 1.6732 2 0 4 2 54.88 2.65 1.6729 3 1 3 4 54.99 9.71 1.6697 -2 4 4 4 55.23 3.76 1.6630 1 5 2 4 55.71 3.20 1.6499 -5 1 4 4 55.84 2.80 1.6464 1 3 4 4 55.93 2.68 1.6441 5 1 0 4 56.28 7.47 1.6347 -4 4 1 4 56.50 4.88 1.6288 0 2 5 4 57.37 3.08 1.6062 0 4 4 4 57.57 5.93 1.6011 -3 5 2 4 57.62 4.32 1.5997 -4 2 5 4 57.73 2.17 1.5970 0 6 0 2 57.92 2.97 1.5921 -4 4 3 4 58.42 1.13 1.5797 2 2 4 4 58.69 5.40 1.5732 4 4 0 4 58.99 1.50 1.5657 -2 0 6 2 59.36 2.42 1.5568 1 1 5 4 59.40 2.21 1.5559 4 2 2 4 59.57 1.60 1.5520 -5 3 3 4 59.67 2.65 1.5496 -5 3 1 4 59.67 6.85 1.5495 2 4 3 4 61.30 1.98 1.5122 5 1 1 4 61.72 1.61 1.5029 -6 0 3 2 61.86 5.02 1.5000 3 3 3 4 61.87 6.30 1.4996 -4 4 4 4 62.07 2.42 1.4952 3 5 1 4 62.25 1.16 1.4915 2 6 0 4 62.63 6.28 1.4833 -5 3 4 4 62.83 3.98 1.4791 5 3 0 4 63.03 1.06 1.4749 -2 6 2 4 63.48 2.55 1.4655 -6 0 1 2 63.91 2.84 1.4567 -6 0 4 2 64.52 3.57 1.4443 4 0 3 2 64.57 1.07 1.4433 0 0 6 2 64.90 3.76 1.4368 -6 2 2 4 67.33 1.22 1.3907 6 0 0 2 68.39 1.09 1.3717 2 4 4 4 69.60 3.53 1.3508 1 7 0 4 69.78 1.83 1.3477 -1 7 1 4 70.44 2.58 1.3367 -2 0 7 2 70.90 1.45 1.3292 -1 5 5 4 70.96 1.19 1.3283 -3 1 7 4 71.40 1.04 1.3211 -3 5 5 4 71.97 1.85 1.3121 -4 0 7 2 72.06 1.12 1.3106 -2 4 6 4 74.54 1.04 1.2731 -6 4 3 4 75.76 1.01 1.2556 2 6 3 4 75.85 3.27 1.2543 -1 7 3 4 76.07 1.36 1.2512 6 2 1 4 76.15 1.49 1.2501 -6 4 1 4 76.43 1.36 1.2462 -3 7 1 4 76.55 1.67 1.2446 -6 4 4 4 77.09 1.35 1.2371 0 0 7 2 77.11 2.49 1.2369 4 4 3 4 77.13 2.63 1.2366 -3 3 7 4 77.36 1.36 1.2335 1 3 6 4 77.76 2.79 1.2282 3 7 0 4 78.53 1.54 1.2181 1 5 5 4 79.35 1.52 1.2076 -3 7 3 4 79.65 1.19 1.2037 -1 3 7 4 79.73 1.01 1.2027 6 4 0 4 80.24 1.34 1.1964 5 5 1 4 80.36 1.69 1.1948 1 7 3 4 81.22 1.90 1.1844 -7 3 4 4 81.50 1.03 1.1810 -6 0 7 2 81.59 1.41 1.1800 -1 7 4 4 82.58 1.91 1.1683 -5 3 7 4 82.67 1.87 1.1673 -2 4 7 4 83.02 1.26 1.1632 5 3 3 4 83.05 1.07 1.1628 -7 3 1 4 83.55 1.15 1.1572 -3 7 4 4 84.12 1.17 1.1508 -4 4 7 4 87.50 1.05 1.1148 1 7 4 4 89.07 1.27 1.0992 0 4 7 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.