Monohydrocalcite Effenberger E Monatshefte fur Chemie 112 (1981) 899-909 Kristallstruktur und infrarot-absorptionsspektrum von synthetischem monohydrocalcit, CaCO3*H2O Superstructure _database_code_amcsd 0014666 CELL PARAMETERS: 10.5536 10.5536 7.5446 90.000 90.000 120.000 SPACE GROUP: P3_1 X-RAY WAVELENGTH: 1.541838 Cell Volume: 727.726 Density (g/cm3): 2.469 MAX. ABS. INTENSITY / VOLUME**2: 8.545700362 RIR: 1.127 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 15.23 2.60 5.8183 1 0 1 3 16.80 36.04 5.2768 1 1 0 3 20.54 88.83 4.3241 1 1 1 3 20.54 10.32 4.3241 2 -1 1 3 22.75 1.03 3.9087 2 0 1 3 25.55 1.69 3.4870 0 1 2 3 25.55 2.99 3.4870 1 0 2 3 28.42 2.33 3.1409 -1 3 1 3 29.10 46.91 3.0688 1 1 2 3 29.10 53.09 3.0688 2 -1 2 3 29.32 17.82 3.0466 3 0 0 3 30.73 1.41 2.9092 0 2 2 3 30.73 1.82 2.9092 2 0 2 3 31.67 25.40 2.8249 0 3 1 3 31.67 25.49 2.8249 3 0 1 3 35.23 1.15 2.5476 2 1 2 3 35.70 4.80 2.5149 0 0 3 1 36.06 21.47 2.4905 4 -2 1 3 37.08 1.79 2.4247 0 1 3 3 37.08 1.39 2.4247 1 0 3 3 37.96 16.44 2.3701 0 3 2 3 37.96 17.01 2.3701 3 0 2 3 39.70 7.07 2.2702 1 1 3 3 39.70 2.17 2.2702 2 -1 3 3 41.78 45.95 2.1621 4 -2 2 3 41.78 21.28 2.1621 2 2 2 3 42.99 1.24 2.1040 3 1 2 3 45.48 9.48 1.9944 1 4 0 3 45.48 9.88 1.9944 4 1 0 3 46.84 15.69 1.9394 0 3 3 3 46.84 17.53 1.9394 3 0 3 3 47.13 24.10 1.9282 1 4 1 3 47.13 24.36 1.9282 4 1 1 3 47.13 12.12 1.9282 -1 5 1 3 47.13 11.61 1.9282 5 -1 1 3 50.11 10.10 1.8204 4 -2 3 3 50.11 4.40 1.8204 2 2 3 3 51.45 21.95 1.7761 1 1 4 3 51.85 2.37 1.7632 1 4 2 3 51.85 1.91 1.7632 4 1 2 3 51.85 4.63 1.7632 -1 5 2 3 51.85 4.23 1.7632 5 -1 2 3 51.99 6.18 1.7589 3 3 0 3 57.46 1.00 1.6037 3 0 4 3 57.84 1.49 1.5942 6 -3 2 3 57.84 4.46 1.5942 3 3 2 3 59.12 1.48 1.5627 -1 5 3 3 59.12 1.39 1.5627 5 -1 3 3 60.32 4.34 1.5344 2 2 4 3 60.81 4.01 1.5233 6 0 0 3 62.17 3.88 1.4932 0 6 1 3 62.17 3.38 1.4932 6 0 1 3 64.20 3.52 1.4508 1 1 5 3 64.20 1.95 1.4508 2 -1 5 3 64.67 3.59 1.4414 6 -3 3 3 64.90 4.04 1.4367 2 5 1 3 64.90 4.45 1.4367 5 2 1 3 68.47 1.50 1.3704 1 4 4 3 68.47 1.93 1.3704 -1 5 4 3 68.47 1.23 1.3704 4 1 4 3 68.47 1.35 1.3704 5 -1 4 3 68.81 1.37 1.3644 5 2 2 3 68.81 1.23 1.3644 2 5 2 3 71.52 3.43 1.3192 4 4 0 3 72.11 5.96 1.3098 2 2 5 3 72.55 1.67 1.3029 0 6 3 3 72.55 2.02 1.3029 6 0 3 3 73.64 2.60 1.2864 6 -3 4 3 75.10 1.76 1.2649 5 2 3 3 75.10 1.63 1.2649 2 5 3 3 76.50 3.04 1.2453 8 -4 2 3 79.68 1.30 1.2033 -1 5 5 3 79.68 1.65 1.2033 5 -1 5 3 81.16 1.14 1.1851 0 6 4 3 82.59 2.97 1.1682 8 -4 3 3 82.59 2.42 1.1682 4 4 3 3 83.10 1.47 1.1623 0 3 6 3 83.10 1.29 1.1623 3 0 6 3 83.63 1.58 1.1563 2 5 4 3 83.63 1.44 1.1563 5 2 4 3 89.94 1.22 1.0908 7 1 3 3 89.94 1.25 1.0908 1 7 3 3 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.