Aragonite Ye Y, Smyth J R, Boni P American Mineralogist 97 (2012) 707-712 Crystal structure and thermal expansion of aragonite-group carbonates by single-crystal X-ray diffraction Note: T = 415 K Locality: natural, unknown locality _database_code_amcsd 0018854 CELL PARAMETERS: 4.9667 7.9775 5.7680 90.000 90.000 90.000 SPACE GROUP: Pmcn X-RAY WAVELENGTH: 1.541838 Cell Volume: 228.539 Density (g/cm3): 2.913 MAX. ABS. INTENSITY / VOLUME**2: 9.347176933 RIR: 1.045 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 21.07 1.82 4.2163 1 1 0 4 26.18 100.00 3.4039 1 1 1 8 27.18 57.96 3.2807 0 2 1 4 31.01 3.47 2.8840 0 0 2 2 32.71 8.75 2.7374 1 2 1 8 33.03 50.78 2.7122 0 1 2 4 36.01 27.49 2.4940 1 0 2 4 36.17 16.83 2.4834 2 0 0 2 37.23 14.70 2.4149 0 3 1 4 37.79 41.17 2.3804 1 1 2 8 38.40 27.14 2.3443 1 3 0 4 38.52 19.47 2.3371 0 2 2 4 41.16 13.27 2.1930 2 1 1 8 42.90 18.86 2.1082 2 2 0 4 45.48 3.33 1.9944 0 4 0 2 45.83 65.22 1.9801 2 2 1 8 48.28 27.39 1.8849 0 4 1 4 48.37 17.10 1.8818 2 0 2 4 49.78 1.72 1.8316 2 1 2 8 50.15 25.68 1.8191 1 3 2 8 51.88 2.78 1.7622 1 4 1 8 52.30 27.36 1.7494 1 1 3 8 52.86 12.51 1.7320 0 2 3 4 52.88 6.81 1.7313 2 3 1 8 53.87 2.03 1.7019 2 2 2 8 56.06 2.41 1.6404 0 4 2 4 56.79 1.45 1.6210 3 1 0 4 59.21 5.16 1.5606 3 1 1 8 60.18 1.81 1.5378 0 5 1 4 61.79 4.91 1.5014 2 4 1 8 62.88 2.71 1.4780 3 2 1 8 63.31 5.76 1.4690 1 5 1 8 65.81 3.55 1.4190 0 1 4 4 66.12 2.48 1.4131 3 1 2 8 66.53 2.80 1.4054 3 3 0 4 68.56 3.10 1.3687 2 4 2 8 68.81 3.98 1.3644 1 1 4 8 69.29 1.49 1.3561 0 2 4 4 70.00 2.33 1.3440 1 5 2 8 70.88 1.38 1.3296 0 6 0 2 75.21 5.23 1.2634 3 3 2 8 76.37 2.21 1.2470 2 0 4 4 76.76 4.51 1.2417 4 0 0 2 76.93 6.93 1.2393 3 1 3 8 77.76 5.00 1.2282 1 3 4 8 78.61 1.37 1.2170 2 5 2 8 79.23 5.76 1.2091 2 4 3 8 79.36 2.17 1.2074 0 6 2 4 80.60 4.45 1.1919 1 5 3 8 82.25 6.69 1.1722 2 6 0 4 83.19 2.39 1.1613 4 2 1 8 86.13 1.09 1.1290 4 1 2 8 86.35 2.55 1.1267 3 5 1 8 87.71 1.74 1.1127 1 1 5 8 89.35 1.19 1.0965 4 2 2 8 89.95 1.00 1.0907 1 7 1 8 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.