Schwertmannite Fernandez-Martinez A, Timon V, Roman-Ross G, Cuello G J, Daniels J E, Ayora C American Mineralogist 95 (2010) 1312-1322 The structure of schwertmannite, a nanocrystalline iron oxyhydroxysulfate Note: Model 1, positions of sulfate groups not determined Locality: Monte Romero mine (Iberian Pyrite Belt), Spain _database_code_amcsd 0018670 CELL PARAMETERS: 10.8210 6.0020 10.5140 90.000 92.600 90.000 SPACE GROUP: P1 X-RAY WAVELENGTH: 1.541838 Cell Volume: 682.157 Density (g/cm3): 3.421 MAX. ABS. INTENSITY / VOLUME**2: 25.02450747 RIR: 2.382 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 8.18 5.09 10.8099 1 0 0 1 11.48 91.98 7.7098 -1 0 1 1 12.01 100.00 7.3678 1 0 1 1 16.40 66.53 5.4049 2 0 0 1 16.88 34.02 5.2516 0 0 2 1 18.11 5.83 4.8972 -2 0 1 1 18.44 1.86 4.8102 -1 0 2 1 19.12 1.40 4.6416 1 0 2 1 24.16 1.51 3.6839 2 0 2 1 25.77 19.25 3.4568 -3 0 1 1 26.40 14.15 3.3759 -1 0 3 1 26.51 25.32 3.3618 3 0 1 1 27.13 19.46 3.2873 1 0 3 1 29.77 5.73 3.0012 -2 0 3 1 33.15 16.79 2.7025 4 0 0 1 33.87 1.08 2.6463 -4 0 1 1 34.15 23.76 2.6258 0 0 4 1 34.42 1.16 2.6056 0 -2 2 1 34.42 1.16 2.6056 0 2 2 1 34.79 6.85 2.5786 -1 0 4 1 34.91 3.76 2.5699 -3 0 3 1 35.07 13.73 2.5588 -2 -2 1 1 35.07 13.73 2.5588 -2 2 1 1 35.25 12.24 2.5461 -1 -2 2 1 35.25 12.24 2.5461 -1 2 2 1 35.45 8.95 2.5324 2 -2 1 1 35.45 8.95 2.5324 2 2 1 1 35.62 13.65 2.5201 1 -2 2 1 35.62 13.65 2.5201 1 2 2 1 36.59 9.74 2.4559 3 0 3 1 37.39 4.84 2.4051 -2 0 4 1 38.00 1.02 2.3680 -2 -2 2 1 38.00 1.02 2.3680 -2 2 2 1 38.14 3.61 2.3598 4 0 2 1 39.06 6.35 2.3060 -3 2 0 1 39.06 6.35 2.3060 3 2 0 1 39.55 4.51 2.2785 0 -2 3 1 39.55 4.51 2.2785 0 2 3 1 39.78 1.41 2.2662 -3 -2 1 1 39.78 1.41 2.2662 -3 2 1 1 41.26 1.85 2.1878 -4 0 3 1 41.78 2.49 2.1620 5 0 0 1 42.60 2.02 2.1221 -2 -2 3 1 42.60 2.02 2.1221 -2 2 3 1 43.10 2.31 2.0989 5 0 1 1 43.31 1.66 2.0892 3 -2 2 1 43.31 1.66 2.0892 3 2 2 1 44.30 1.68 2.0448 1 0 5 1 45.71 3.19 1.9849 -4 2 1 1 45.71 3.19 1.9849 -4 -2 1 1 45.92 1.11 1.9761 0 -2 4 1 45.92 1.11 1.9761 0 2 4 1 46.32 6.61 1.9603 4 -2 1 1 46.32 6.61 1.9603 4 2 1 1 46.43 5.01 1.9558 -1 -2 4 1 46.43 5.01 1.9558 -1 2 4 1 47.03 1.57 1.9323 1 2 4 1 47.03 1.57 1.9323 1 -2 4 1 47.95 1.44 1.8972 -4 2 2 1 47.95 1.44 1.8972 -4 -2 2 1 49.48 3.27 1.8419 4 0 4 1 50.67 9.78 1.8016 6 0 0 1 52.26 6.34 1.7505 0 0 6 1 52.58 2.39 1.7405 -1 0 6 1 53.40 2.06 1.7158 1 0 6 1 53.61 1.04 1.7094 -1 2 5 1 53.61 1.04 1.7094 -1 -2 5 1 53.68 1.89 1.7075 -5 0 4 1 54.54 6.28 1.6825 -5 2 2 1 54.54 6.28 1.6825 -5 -2 2 1 55.43 5.03 1.6577 -2 -2 5 1 55.43 5.03 1.6577 -2 2 5 1 55.87 8.94 1.6457 5 2 2 1 55.87 8.94 1.6457 5 -2 2 1 56.74 5.61 1.6225 2 -2 5 1 56.74 5.61 1.6225 2 2 5 1 58.58 3.83 1.5758 -3 -2 5 1 58.58 3.83 1.5758 -3 2 5 1 60.21 1.48 1.5368 -6 2 1 1 60.21 1.48 1.5368 -6 -2 1 1 60.47 1.06 1.5309 3 2 5 1 60.47 1.06 1.5309 3 -2 5 1 61.04 2.05 1.5180 7 0 1 1 61.83 11.75 1.5005 0 4 0 1 61.96 1.65 1.4977 -6 2 2 1 61.96 1.65 1.4977 -6 -2 2 1 62.34 1.05 1.4895 1 -2 6 1 62.34 1.05 1.4895 1 2 6 1 62.59 2.58 1.4841 -5 -2 4 1 62.59 2.58 1.4841 -5 2 4 1 62.92 1.42 1.4771 1 0 7 1 62.94 2.24 1.4767 -4 2 5 1 62.94 2.24 1.4767 -4 -2 5 1 63.60 2.52 1.4630 -2 0 7 1 63.98 1.79 1.4551 6 0 4 1 64.44 1.14 1.4458 2 4 0 1 64.44 1.14 1.4458 -2 4 0 1 64.75 1.35 1.4397 4 0 6 1 64.88 1.69 1.4372 -7 0 3 1 65.02 2.69 1.4344 5 -2 4 1 65.02 2.69 1.4344 5 2 4 1 65.29 1.55 1.4292 2 0 7 1 65.36 3.52 1.4278 4 2 5 1 65.36 3.52 1.4278 4 -2 5 1 67.28 1.08 1.3917 -5 0 6 1 67.38 2.02 1.3898 7 0 3 1 68.12 1.03 1.3764 -3 -4 1 1 68.12 1.03 1.3764 -3 4 1 1 68.48 1.37 1.3702 3 -4 1 1 68.48 1.37 1.3702 3 4 1 1 68.77 1.12 1.3650 1 -4 3 1 68.77 1.12 1.3650 1 4 3 1 68.87 2.19 1.3634 3 0 7 1 71.27 1.02 1.3232 -8 0 2 1 71.98 1.43 1.3119 -4 4 0 1 71.98 1.43 1.3119 4 4 0 1 72.56 2.03 1.3028 0 -4 4 1 72.56 2.03 1.3028 0 4 4 1 74.04 1.30 1.2804 3 4 3 1 74.04 1.30 1.2804 3 -4 3 1 78.62 1.19 1.2169 5 2 6 1 78.62 1.19 1.2169 5 -2 6 1 83.92 1.71 1.1530 6 4 0 1 83.92 1.71 1.1530 -6 4 0 1 85.17 1.15 1.1392 0 4 6 1 85.17 1.15 1.1392 0 -4 6 1 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.