Hydronium jarosite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern for R060402 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 CELL PARAMETERS: 7.355900 7.355900 17.01860 90.00000 90.00000 120.0000 SPACE GROUP: R-3m X-RAY WAVELENGTH: 1.541838 2-THETA INTENSITY D-SPACING H K L 14.96 13.64 5.9200 1 0 1 15.99 37.35 5.5419 0 0 3 17.60 100.00 5.0388 0 1 2 24.32 5.21 3.6577 1 1 0 25.62 7.94 3.4752 1 0 4 28.67 88.71 3.1116 0 2 1 29.24 87.44 3.0527 1 1 3 30.34 3.62 2.9442 0 1 5 30.18 7.27 2.9600 2 0 2 32.29 15.40 2.7709 0 0 6 35.61 18.41 2.5194 0 2 4 39.26 3.01 2.2935 2 0 5 40.54 27.46 2.2239 1 0 7 40.83 1.34 2.2087 1 1 6 45.96 27.73 1.9733 0 3 3 47.84 11.89 1.9003 0 2 7 49.30 6.81 1.8473 0 0 9 49.83 30.53 1.8288 2 2 0 52.64 4.29 1.7376 2 0 8 52.67 7.84 1.7367 2 2 3 53.25 5.90 1.7191 3 1 2 54.37 1.40 1.6863 2 1 7 56.85 5.32 1.6184 1 3 4 58.79 6.62 1.5695 1 2 8 58.50 5.24 1.5767 4 0 1 59.46 2.91 1.5535 3 1 5 59.36 5.19 1.5558 0 4 2 60.63 14.23 1.5264 2 2 6 63.11 18.37 1.4721 0 2 10 62.74 5.22 1.4800 4 0 4 64.29 1.12 1.4479 3 2 1 65.20 3.85 1.4299 0 4 5 65.11 4.11 1.4317 2 3 2 66.10 2.20 1.4126 1 3 7 67.29 2.13 1.3904 0 3 9 68.77 4.14 1.3641 2 0 11 68.32 1.48 1.3719 3 2 4 70.10 2.78 1.3414 1 4 3 70.10 3.97 1.3414 4 1 3 71.55 3.05 1.3177 4 0 7 72.70 4.39 1.2997 2 2 9 75.83 1.15 1.2536 1 0 13 76.84 4.87 1.2397 3 2 7 80.35 1.31 1.1942 2 4 1 84.41 2.78 1.1468 4 0 10 84.07 1.06 1.1505 2 4 4 86.14 2.98 1.1281 2 1 13 86.29 1.76 1.1265 4 2 5 88.46 1.44 1.1043 2 2 12 89.58 2.35 1.0934 0 4 11 89.58 2.35 1.0934 0 4 11 XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.