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 2, positions of sulfate groups not determined Locality: Monte Romero mine (Iberian Pyrite Belt), Spain _database_code_amcsd 0018671 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): 3.499 MAX. ABS. INTENSITY / VOLUME**2: 18.33988248 RIR: 1.707 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 8.18 58.46 10.8099 1 0 0 1 8.42 5.54 10.5032 0 0 1 1 11.48 72.05 7.7098 -1 0 1 1 12.01 100.00 7.3678 1 0 1 1 16.40 89.13 5.4049 2 0 0 1 16.88 19.93 5.2516 0 0 2 1 18.11 25.76 4.8972 -2 0 1 1 18.44 4.33 4.8102 -1 0 2 1 18.74 2.04 4.7361 -1 -1 1 1 18.74 1.97 4.7361 -1 1 1 1 18.80 4.43 4.7196 2 0 1 1 19.12 4.36 4.6416 1 0 2 1 22.13 1.89 4.0164 -2 1 0 1 23.45 3.56 3.7944 -2 -1 1 1 23.45 2.26 3.7944 -2 1 1 1 23.70 1.79 3.7535 -1 -1 2 1 23.70 1.69 3.7535 -1 1 2 1 23.99 1.21 3.7100 2 -1 1 1 24.16 6.34 3.6839 2 0 2 1 25.44 1.79 3.5011 0 0 3 1 25.77 15.47 3.4568 -3 0 1 1 26.40 26.06 3.3759 -1 0 3 1 26.51 25.72 3.3618 3 0 1 1 27.13 19.21 3.2873 1 0 3 1 28.90 2.16 3.0893 3 1 0 1 29.77 10.09 3.0012 -2 0 3 1 29.83 2.13 2.9955 -3 -1 1 1 29.83 1.51 2.9955 -3 1 1 1 30.38 1.99 2.9424 -1 1 3 1 30.38 1.35 2.9424 -1 -1 3 1 31.06 3.34 2.8795 2 0 3 1 33.15 16.43 2.7025 4 0 0 1 33.38 1.18 2.6843 -2 1 3 1 33.87 1.52 2.6463 -4 0 1 1 34.15 14.27 2.6258 0 0 4 1 34.42 4.62 2.6056 0 -2 2 1 34.42 4.62 2.6056 0 2 2 1 34.79 17.29 2.5786 -1 0 4 1 34.91 2.18 2.5699 -3 0 3 1 35.07 14.60 2.5588 -2 -2 1 1 35.07 14.60 2.5588 -2 2 1 1 35.25 12.55 2.5461 -1 -2 2 1 35.25 12.55 2.5461 -1 2 2 1 35.45 11.30 2.5324 2 -2 1 1 35.45 11.30 2.5324 2 2 1 1 35.55 7.51 2.5255 1 0 4 1 35.62 15.26 2.5201 1 -2 2 1 35.62 15.26 2.5201 1 2 2 1 36.46 1.14 2.4642 4 1 0 1 36.46 1.78 2.4642 -4 1 0 1 36.59 13.53 2.4559 3 0 3 1 37.39 1.25 2.4051 -2 0 4 1 38.00 4.03 2.3680 -2 -2 2 1 38.00 4.03 2.3680 -2 2 2 1 38.09 1.23 2.3625 -3 1 3 1 38.14 3.50 2.3598 4 0 2 1 39.06 13.61 2.3060 -3 2 0 1 39.06 13.61 2.3060 3 2 0 1 39.55 3.46 2.2785 0 -2 3 1 39.55 3.46 2.2785 0 2 3 1 39.78 1.72 2.2662 -3 -2 1 1 39.78 1.72 2.2662 -3 2 1 1 40.21 2.51 2.2429 -1 -2 3 1 40.21 2.51 2.2429 -1 2 3 1 40.28 1.21 2.2388 3 2 1 1 40.28 1.21 2.2388 3 -2 1 1 41.10 1.19 2.1962 4 -1 2 1 41.26 3.15 2.1878 -4 0 3 1 41.78 5.34 2.1620 5 0 0 1 42.35 1.01 2.1343 -3 -2 2 1 42.35 1.01 2.1343 -3 2 2 1 43.06 3.93 2.1006 0 0 5 1 43.10 2.26 2.0989 5 0 1 1 43.56 1.25 2.0777 2 -2 3 1 43.56 1.25 2.0777 2 2 3 1 44.30 4.23 2.0448 1 0 5 1 44.54 1.47 2.0340 5 1 0 1 45.71 3.25 1.9849 -4 2 1 1 45.71 3.25 1.9849 -4 -2 1 1 45.92 1.96 1.9761 0 -2 4 1 45.92 1.96 1.9761 0 2 4 1 46.32 6.11 1.9603 4 -2 1 1 46.32 6.11 1.9603 4 2 1 1 46.43 3.37 1.9558 -1 -2 4 1 46.43 3.37 1.9558 -1 2 4 1 46.52 1.16 1.9520 -3 -2 3 1 46.52 1.16 1.9520 -3 2 3 1 47.03 1.98 1.9323 1 2 4 1 47.03 1.98 1.9323 1 -2 4 1 47.12 1.26 1.9286 2 0 5 1 47.95 3.74 1.8972 -4 2 2 1 47.95 3.74 1.8972 -4 -2 2 1 48.69 1.11 1.8700 5 -1 2 1 49.48 3.18 1.8419 4 0 4 1 50.67 10.99 1.8016 6 0 0 1 51.04 1.57 1.7893 -6 0 1 1 52.14 1.58 1.7542 5 2 0 1 52.14 1.58 1.7542 -5 2 0 1 52.26 4.07 1.7505 0 0 6 1 52.58 4.31 1.7405 -1 0 6 1 53.40 4.04 1.7158 1 0 6 1 53.61 2.90 1.7094 -1 2 5 1 53.61 2.90 1.7094 -1 -2 5 1 53.68 3.77 1.7075 -5 0 4 1 54.29 1.38 1.6898 1 2 5 1 54.29 1.38 1.6898 1 -2 5 1 54.54 4.97 1.6825 -5 2 2 1 54.54 4.97 1.6825 -5 -2 2 1 55.43 3.63 1.6577 -2 -2 5 1 55.43 3.63 1.6577 -2 2 5 1 55.87 10.26 1.6457 5 2 2 1 55.87 10.26 1.6457 5 -2 2 1 56.74 3.11 1.6225 2 -2 5 1 56.74 3.11 1.6225 2 2 5 1 56.77 1.53 1.6218 -4 2 4 1 56.77 1.53 1.6218 -4 -2 4 1 58.58 11.57 1.5758 -3 -2 5 1 58.58 11.57 1.5758 -3 2 5 1 59.90 1.37 1.5443 7 0 0 1 60.47 4.46 1.5309 3 2 5 1 60.47 4.46 1.5309 3 -2 5 1 61.04 1.36 1.5180 7 0 1 1 61.31 2.10 1.5121 0 -2 6 1 61.31 2.10 1.5121 0 2 6 1 61.83 16.65 1.5005 0 4 0 1 61.96 4.23 1.4977 -6 2 2 1 61.96 4.23 1.4977 -6 -2 2 1 62.59 1.27 1.4841 -5 -2 4 1 62.59 1.27 1.4841 -5 2 4 1 63.60 6.34 1.4630 -2 0 7 1 63.98 1.62 1.4551 6 0 4 1 64.44 1.56 1.4458 2 4 0 1 64.44 1.56 1.4458 -2 4 0 1 64.75 1.11 1.4397 4 0 6 1 64.88 1.13 1.4372 -7 0 3 1 65.02 2.78 1.4344 5 -2 4 1 65.02 2.78 1.4344 5 2 4 1 65.29 4.71 1.4292 2 0 7 1 65.36 4.72 1.4278 4 2 5 1 65.36 4.72 1.4278 4 -2 5 1 67.28 1.86 1.3917 -5 0 6 1 67.38 2.01 1.3898 7 0 3 1 68.42 1.36 1.3712 -1 4 3 1 68.42 1.36 1.3712 -1 -4 3 1 68.48 1.37 1.3702 3 -4 1 1 68.48 1.37 1.3702 3 4 1 1 68.77 1.07 1.3650 1 -4 3 1 68.77 1.07 1.3650 1 4 3 1 68.87 1.08 1.3634 3 0 7 1 69.16 1.12 1.3583 -7 0 4 1 69.77 1.39 1.3479 -8 0 1 1 70.37 1.15 1.3378 -4 0 7 1 71.98 1.48 1.3119 -4 4 0 1 71.98 1.48 1.3119 4 4 0 1 72.56 1.24 1.3028 0 -4 4 1 72.56 1.24 1.3028 0 4 4 1 72.94 1.52 1.2969 -1 4 4 1 72.94 1.52 1.2969 -1 -4 4 1 73.58 1.04 1.2873 4 0 7 1 74.04 1.77 1.2804 3 4 3 1 74.04 1.77 1.2804 3 -4 3 1 74.05 1.36 1.2803 -8 0 3 1 79.72 1.00 1.2028 0 -2 8 1 79.72 1.00 1.2028 0 2 8 1 82.33 1.45 1.1712 -7 -2 5 1 82.33 1.45 1.1712 -7 2 5 1 83.92 1.91 1.1530 6 4 0 1 83.92 1.91 1.1530 -6 4 0 1 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.