Thaumasite Gatta G D, McIntyre G J, Swanson J G, Jacobsen S D American Mineralogist 97 (2012) 1060-1069 Minerals in cement chemistry: A single-crystal neutron diffraction and Raman spectroscopic study of thaumasite, Ca3Si(OH)6(CO3)(SO4)*12H2O Note: T = 22.5 K Locality: synthetic _database_code_amcsd 0019079 CELL PARAMETERS: 11.0360 11.0360 10.3845 90.000 90.000 120.000 SPACE GROUP: P6_3 X-RAY WAVELENGTH: 1.541838 Cell Volume: 1095.316 Density (g/cm3): 1.888 MAX. ABS. INTENSITY / VOLUME**2: 10.47569370 RIR: 1.807 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 9.25 100.00 9.5575 1 0 0 6 12.59 6.92 7.0324 1 0 1 6 16.06 31.23 5.5180 1 1 0 6 17.08 2.68 5.1922 0 0 2 1 18.21 7.69 4.8728 1 1 1 6 18.57 3.07 4.7787 2 0 0 6 19.46 19.15 4.5624 1 0 2 6 20.46 4.30 4.3411 2 0 1 6 23.53 39.38 3.7814 1 1 2 6 24.64 1.68 3.6124 1 2 0 6 25.33 15.35 3.5162 2 0 2 6 26.12 7.31 3.4118 2 1 1 6 26.12 16.48 3.4118 1 2 1 6 27.40 3.94 3.2546 1 0 3 6 28.01 10.40 3.1858 3 0 0 6 29.32 1.16 3.0457 3 0 1 6 30.49 3.82 2.9323 1 1 3 6 32.45 1.79 2.7590 2 2 0 6 32.99 27.61 2.7154 3 0 2 6 33.82 2.04 2.6508 3 1 0 6 34.55 8.93 2.5961 0 0 4 1 34.93 3.20 2.5684 1 3 1 6 34.93 6.36 2.5684 3 1 1 6 35.93 18.93 2.4993 2 1 3 6 35.93 10.69 2.4993 1 2 3 6 38.12 4.24 2.3609 1 3 2 6 38.12 1.90 2.3609 3 1 2 6 39.50 3.02 2.2812 2 0 4 6 41.17 4.07 2.1926 2 3 0 6 41.17 1.33 2.1926 3 2 0 6 41.61 3.21 2.1706 4 0 2 6 41.87 27.09 2.1575 2 2 3 6 42.12 1.05 2.1453 2 3 1 6 42.12 9.17 2.1453 3 2 1 6 42.98 5.90 2.1046 1 3 3 6 42.98 9.43 2.1046 3 1 3 6 43.39 1.92 2.0856 1 4 0 6 44.65 2.35 2.0295 1 0 5 6 44.87 5.36 2.0199 3 2 2 6 46.16 1.78 1.9664 4 0 3 6 46.73 2.79 1.9438 1 1 5 6 46.95 4.68 1.9353 1 4 2 6 47.57 8.07 1.9115 5 0 0 6 49.12 1.68 1.8548 1 3 4 6 50.38 6.20 1.8111 3 3 1 6 50.70 2.35 1.8005 1 2 5 6 50.70 2.78 1.8005 2 1 5 6 50.91 1.47 1.7938 5 0 2 6 51.35 2.45 1.7795 4 2 1 6 52.02 1.29 1.7581 4 0 4 6 52.80 4.04 1.7338 3 3 2 6 52.90 2.86 1.7307 0 0 6 1 53.83 2.52 1.7031 1 0 6 6 54.16 1.55 1.6936 5 1 1 6 55.66 2.77 1.6514 1 1 6 6 56.27 2.01 1.6349 1 3 5 6 56.27 2.10 1.6349 3 1 5 6 56.46 1.39 1.6298 1 5 2 6 56.61 4.84 1.6259 1 4 4 6 56.61 2.37 1.6259 4 1 4 6 57.89 4.17 1.5929 6 0 0 6 59.50 1.87 1.5536 4 3 1 6 60.11 6.78 1.5393 5 0 4 6 62.66 1.59 1.4827 2 4 4 6 63.18 1.42 1.4717 4 1 5 6 63.36 1.47 1.4680 5 2 2 6 63.45 2.74 1.4661 2 2 6 6 66.84 1.21 1.3997 2 5 3 6 68.09 1.55 1.3770 3 3 5 6 69.15 1.01 1.3585 3 2 6 6 71.80 1.70 1.3147 2 6 1 6 73.65 1.28 1.2863 1 0 8 6 73.87 1.16 1.2830 5 0 6 6 73.97 1.52 1.2815 4 4 3 6 75.68 1.13 1.2566 7 1 1 6 77.63 1.65 1.2299 7 1 2 6 77.72 1.45 1.2287 2 3 7 6 84.51 1.17 1.1465 5 2 6 6 84.52 1.15 1.1464 4 2 7 6 88.78 1.51 1.1020 1 4 8 6 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.