Ettringite Gatta G D, Halenius U, Bosi F, Canadillas-Delgado L, Fernandez-Diaz M T American Mineralogist 104 (2019) 73-78 Minerals in cement chemistry: A single-crystal neutron diffraction study of ettringite, Ca6Al2(SO4)3(OH)12·27H2O Locality: NChwaning mine, Kuruman, South Africa _database_code_amcsd 0020840 CELL PARAMETERS: 11.1710 11.1710 21.3640 90.000 90.000 120.000 SPACE GROUP: P31c X-RAY WAVELENGTH: 1.541838 Cell Volume: 2308.858 Density (g/cm3): 1.831 MAX. ABS. INTENSITY / VOLUME**2: 7.270882574 RIR: 1.293 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 8.28 1.58 10.6820 0 0 2 1 9.14 100.00 9.6744 1 0 0 6 10.04 4.96 8.8129 1 0 1 6 12.34 1.40 7.1707 1 0 2 6 15.45 2.68 5.7351 1 0 3 6 15.87 58.30 5.5855 1 1 0 3 17.92 12.13 4.9497 2 -1 2 3 17.92 1.68 4.9497 1 1 2 3 18.34 4.97 4.8372 2 0 0 6 18.81 1.04 4.7178 2 0 1 6 18.98 36.32 4.6758 1 0 4 6 22.22 5.77 4.0014 2 0 3 6 23.04 24.84 3.8602 1 1 4 3 23.04 24.69 3.8602 2 -1 4 3 24.34 2.86 3.6566 2 1 0 6 24.70 1.46 3.6042 3 -1 1 6 24.83 11.94 3.5853 2 0 4 6 25.75 6.35 3.4595 3 -1 2 6 25.75 15.87 3.4595 2 1 2 6 27.42 3.15 3.2528 2 1 3 6 27.42 2.27 3.2528 3 -1 3 6 27.66 12.84 3.2248 3 0 0 6 27.98 1.08 3.1887 3 0 1 6 29.76 3.87 3.0025 2 -1 6 3 29.76 3.00 3.0025 1 1 6 3 32.05 3.00 2.7927 2 2 0 3 32.43 34.03 2.7606 3 0 4 6 33.16 1.48 2.7019 2 2 2 3 33.39 3.73 2.6832 3 1 0 6 33.56 7.64 2.6705 0 0 8 1 33.66 2.62 2.6623 4 -1 1 6 34.46 7.68 2.6023 4 -1 2 6 34.46 7.55 2.6023 3 1 2 6 35.18 22.58 2.5510 3 -1 6 6 35.18 20.45 2.5510 2 1 6 6 35.76 1.41 2.5109 4 -1 3 6 35.76 2.00 2.5109 3 1 3 6 36.30 1.16 2.4748 4 -2 4 3 36.30 1.26 2.4748 2 2 4 3 37.32 1.26 2.4093 1 1 8 3 37.32 1.28 2.4093 2 -1 8 3 37.51 3.51 2.3976 4 -1 4 6 37.51 4.23 2.3976 3 1 4 6 38.51 3.71 2.3379 2 0 8 6 40.65 6.12 2.2195 3 2 0 6 40.96 2.13 2.2032 4 0 4 6 41.08 18.36 2.1975 4 -2 6 3 41.08 19.97 2.1975 2 2 6 3 41.56 1.34 2.1730 3 2 2 6 41.56 3.43 2.1730 5 -2 2 6 42.17 9.55 2.1429 4 -1 6 6 42.17 11.16 2.1429 3 1 6 6 42.67 3.01 2.1189 3 2 3 6 42.84 3.30 2.1111 4 1 0 6 42.97 1.03 2.1048 4 0 5 6 43.71 2.21 2.0711 5 -1 2 6 44.19 2.41 2.0495 5 -2 4 6 44.19 2.27 2.0495 3 2 4 6 45.45 1.44 1.9954 2 -1 10 3 46.24 1.13 1.9633 4 1 4 6 46.24 1.30 1.9633 5 -1 4 6 46.96 9.50 1.9349 5 0 0 6 48.00 1.01 1.8956 4 0 7 6 48.92 1.17 1.8618 3 3 0 3 49.41 4.57 1.8446 2 1 10 6 49.41 2.58 1.8446 3 -1 10 6 49.71 1.85 1.8342 6 -3 2 3 49.71 3.39 1.8342 3 3 2 3 50.07 1.19 1.8216 6 -2 1 6 50.15 2.21 1.8192 5 0 4 6 50.66 1.35 1.8021 6 -2 2 6 50.66 1.24 1.8021 4 2 2 6 50.94 1.58 1.7927 4 0 8 6 51.32 2.96 1.7803 0 0 12 1 52.02 2.11 1.7581 6 -3 4 3 52.02 2.07 1.7581 3 3 4 3 52.24 3.62 1.7509 1 0 12 6 52.68 1.62 1.7376 5 1 0 6 53.42 1.66 1.7150 6 -1 2 6 54.06 2.47 1.6963 1 1 12 3 54.06 2.75 1.6963 2 -1 12 3 54.94 3.32 1.6713 3 1 10 6 54.94 3.43 1.6713 4 -1 10 6 55.48 5.54 1.6561 5 -1 8 6 55.48 5.24 1.6561 4 1 8 6 55.62 1.34 1.6523 6 -1 4 6 55.62 1.61 1.6523 5 1 4 6 57.13 8.11 1.6124 6 0 0 6 57.99 1.91 1.5905 4 3 0 6 58.69 1.34 1.5731 7 -3 2 6 58.95 5.79 1.5668 5 0 8 6 61.80 2.40 1.5012 4 -2 12 3 61.80 2.97 1.5012 2 2 12 3 69.59 1.09 1.3510 8 -4 4 3 70.53 1.28 1.3353 0 0 16 1 70.78 1.26 1.3311 6 2 2 6 71.30 1.35 1.3227 1 0 16 6 72.09 1.92 1.3101 5 0 12 6 72.74 1.81 1.3000 8 -4 6 3 72.74 1.58 1.3000 4 4 6 3 73.97 1.03 1.2814 7 1 0 6 74.59 1.55 1.2723 8 -1 2 6 76.44 1.12 1.2460 8 -1 4 6 76.44 1.10 1.2460 7 1 4 6 82.55 1.23 1.1687 5 2 12 6 86.18 1.06 1.1285 5 -1 16 6 86.18 1.18 1.1285 4 1 16 6 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.