Hydroniumjarosite Majzlan J, Stevens R, Boerio-Goates J, Woodfield B F, Navrotsky A, Burns P C, Crawford M K, Amos T G Physics and Chemistry of Minerals 31 (2004) 518-531 Thermodynamic properties, low-temperature heat-capacity anomalies, and single-crystal X-ray refinement of hydronium jarosite, (H3O)Fe3(SO4)2(OH)6 Note: Single-crystal X-ray diffraction refinement Locality: synthetic _database_code_amcsd 0008877 CELL PARAMETERS: 7.3559 7.3559 17.0186 90.000 90.000 120.000 SPACE GROUP: R-3m X-RAY WAVELENGTH: 1.541838 Cell Volume: 797.492 Density (g/cm3): 2.946 MAX. ABS. INTENSITY / VOLUME**2: 18.72169907 RIR: 2.069 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 14.85 13.64 5.9661 1 0 1 6 15.62 37.35 5.6729 0 0 3 2 17.39 100.00 5.0996 0 1 2 6 24.20 5.21 3.6779 1 1 0 6 25.17 7.94 3.5381 1 0 4 6 28.51 88.71 3.1308 0 2 1 6 28.93 87.44 3.0861 1 1 3 12 29.76 3.62 3.0021 0 1 5 6 29.95 7.27 2.9831 2 0 2 6 31.54 15.40 2.8364 0 0 6 2 35.20 18.41 2.5498 0 2 4 6 38.72 3.01 2.3257 2 0 5 6 39.68 27.46 2.2714 1 0 7 6 40.15 1.34 2.2461 1 1 6 12 45.62 27.73 1.9887 0 3 3 6 47.02 11.89 1.9326 0 2 7 6 48.12 6.81 1.8910 0 0 9 2 49.57 30.53 1.8390 2 2 0 6 51.67 4.29 1.7691 2 0 8 6 52.30 7.84 1.7494 2 2 3 12 52.93 5.90 1.7299 3 1 2 12 53.57 1.40 1.7108 2 1 7 12 56.39 5.32 1.6317 1 3 4 12 57.84 6.62 1.5942 1 2 8 12 58.18 5.24 1.5857 4 0 1 6 58.89 2.91 1.5681 3 1 5 12 59.01 5.19 1.5654 0 4 2 6 59.95 14.23 1.5430 2 2 6 12 61.81 18.37 1.5010 0 2 10 6 62.24 5.22 1.4915 4 0 4 6 63.93 1.12 1.4561 3 2 1 12 64.61 3.85 1.4425 0 4 5 6 64.72 4.11 1.4404 2 3 2 12 65.28 2.20 1.4293 1 3 7 12 66.17 2.13 1.4122 0 3 9 6 67.28 4.14 1.3917 2 0 11 6 67.80 1.48 1.3822 3 2 4 12 69.64 2.78 1.3502 1 4 3 12 69.64 3.97 1.3502 4 1 3 12 70.71 3.05 1.3322 4 0 7 6 71.57 4.39 1.3183 2 2 9 12 73.91 1.15 1.2823 1 0 13 6 75.97 4.87 1.2526 3 2 7 12 79.88 1.31 1.2009 2 4 1 12 83.05 2.78 1.1628 4 0 10 6 83.44 1.06 1.1584 2 4 4 12 84.18 2.98 1.1501 2 1 13 12 85.57 1.76 1.1350 4 2 5 12 86.70 1.44 1.1230 2 2 12 12 88.01 2.35 1.1097 0 4 11 6 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.