Hydronium jarosite 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: Rietveld refinement of synchrotron X-ray diffraction pattern Locality: synthetic _database_code_amcsd 0008876 CELL PARAMETERS: 7.3499 7.3499 17.0104 90.000 90.000 120.000 SPACE GROUP: R-3m X-RAY WAVELENGTH: 1.541838 Cell Volume: 795.807 Density (g/cm3): 2.952 MAX. ABS. INTENSITY / VOLUME**2: 19.83040964 RIR: 2.187 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 14.86 17.81 5.9615 1 0 1 6 15.63 35.09 5.6701 0 0 3 2 17.40 100.00 5.0961 0 1 2 6 24.22 5.62 3.6749 1 1 0 6 25.19 7.39 3.5360 1 0 4 6 28.53 90.32 3.1283 0 2 1 6 28.95 83.43 3.0839 1 1 3 12 29.78 2.13 3.0004 0 1 5 6 29.98 11.90 2.9807 2 0 2 6 31.56 16.37 2.8351 0 0 6 2 35.22 16.54 2.5480 0 2 4 6 38.74 3.35 2.3242 2 0 5 6 39.70 25.99 2.2702 1 0 7 6 40.17 1.15 2.2447 1 1 6 12 45.65 28.65 1.9872 0 3 3 6 47.05 10.92 1.9314 0 2 7 6 48.14 7.38 1.8900 0 0 9 2 49.61 30.32 1.8375 2 2 0 6 51.70 4.90 1.7680 2 0 8 6 52.34 7.22 1.7480 2 2 3 12 52.97 6.18 1.7285 3 1 2 12 53.60 1.10 1.7097 2 1 7 12 54.60 1.32 1.6808 1 1 9 12 56.43 4.88 1.6305 1 3 4 12 57.88 6.53 1.5932 1 2 8 12 58.23 6.03 1.5844 4 0 1 6 58.94 3.67 1.5670 3 1 5 12 59.06 6.28 1.5642 0 4 2 6 60.00 15.32 1.5419 2 2 6 12 61.84 19.14 1.5002 0 2 10 6 62.30 5.29 1.4904 4 0 4 6 63.99 1.24 1.4549 3 2 1 12 64.67 4.23 1.4414 0 4 5 6 64.78 4.40 1.4392 2 3 2 12 65.33 2.36 1.4283 1 3 7 12 66.22 2.40 1.4113 0 3 9 6 67.32 4.32 1.3909 2 0 11 6 67.86 1.38 1.3811 3 2 4 12 69.70 2.80 1.3491 1 4 3 12 69.70 4.33 1.3491 4 1 3 12 70.77 3.19 1.3313 4 0 7 6 71.63 5.08 1.3175 2 2 9 12 73.95 1.23 1.2817 1 0 13 6 76.04 5.33 1.2517 3 2 7 12 79.95 1.38 1.1999 2 4 1 12 83.12 3.10 1.1621 4 0 10 6 83.52 1.16 1.1575 2 4 4 12 84.24 3.37 1.1495 2 1 13 12 85.65 1.90 1.1341 4 2 5 12 86.77 1.95 1.1224 2 2 12 12 88.08 2.38 1.1090 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.