Parabutlerite Plasil J, Petricek V, Majzlan J Acta Crystallographica B73 (2017) 856-862 A commensurately modulated structure of parabutlerite, Fe3+SO4(OH)*2H2O Locality: Alcaparrosa mine, Chile _database_code_amcsd 0021044 CELL PARAMETERS: 7.2226 7.3930 20.0542 90.000 90.000 90.000 SPACE GROUP: P2_12_12_1 X-RAY WAVELENGTH: 1.541838 Cell Volume: 1070.828 Density (g/cm3): 2.583 MAX. ABS. INTENSITY / VOLUME**2: 18.61342547 RIR: 2.346 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 15.12 28.01 5.8605 1 0 2 4 17.16 1.57 5.1663 1 1 0 4 17.69 100.00 5.0135 0 0 4 2 17.73 22.73 5.0030 1 1 1 4 18.08 1.46 4.9060 1 0 3 4 21.74 9.48 4.0878 1 1 3 4 24.08 3.98 3.6965 0 2 0 2 24.65 22.60 3.6113 2 0 0 2 25.05 5.24 3.5541 2 0 1 4 27.47 5.74 3.2472 1 2 1 4 27.85 12.48 3.2032 2 1 1 4 28.17 3.12 3.1682 1 1 5 4 28.55 87.72 3.1265 1 2 2 4 28.92 6.05 3.0872 2 1 2 4 29.45 2.94 3.0333 1 0 6 4 30.03 1.20 2.9752 0 2 4 4 30.63 5.98 2.9191 2 1 3 4 34.73 6.94 2.5832 2 2 0 4 35.02 3.62 2.5620 2 2 1 4 35.59 3.04 2.5227 2 1 5 4 35.82 20.01 2.5068 0 0 8 2 37.63 2.96 2.3904 3 0 1 4 37.90 1.54 2.3740 0 1 8 4 38.39 3.00 2.3449 1 2 6 4 38.45 7.07 2.3410 3 0 2 4 38.67 1.17 2.3282 2 1 6 4 39.80 4.37 2.2651 3 0 3 4 41.61 1.03 2.1703 3 0 4 4 42.07 1.87 2.1476 2 1 7 4 42.45 1.36 2.1292 1 0 9 4 43.63 3.79 2.0747 0 2 8 4 43.97 1.67 2.0593 2 0 8 4 44.27 1.03 2.0461 1 1 9 4 44.75 1.90 2.0251 2 3 1 4 45.17 2.70 2.0073 3 2 1 4 45.47 1.01 1.9949 2 3 2 4 45.88 3.83 1.9777 3 2 2 4 46.49 1.93 1.9535 3 0 6 4 46.64 1.87 1.9473 2 3 3 4 47.03 8.54 1.9323 1 0 10 4 49.30 8.73 1.8483 0 4 0 2 49.45 1.35 1.8431 3 0 7 4 50.75 5.52 1.7990 2 2 8 4 50.77 1.40 1.7984 4 0 1 4 51.87 2.32 1.7627 1 4 2 4 52.79 2.88 1.7342 0 4 4 4 53.51 9.36 1.7125 1 2 10 4 54.94 3.95 1.6712 0 0 12 2 55.88 5.94 1.6453 2 4 0 4 56.09 1.49 1.6398 2 4 1 4 56.25 1.33 1.6353 3 0 9 4 56.74 2.51 1.6224 4 2 0 4 56.94 6.41 1.6171 4 2 1 4 58.54 2.04 1.5767 4 2 3 4 59.10 2.14 1.5633 2 4 4 4 59.92 1.70 1.5436 4 2 4 4 60.04 3.10 1.5409 3 0 10 4 61.67 1.89 1.5040 4 2 5 4 62.43 2.89 1.4876 0 4 8 4 64.07 1.26 1.4534 3 0 11 4 64.21 2.21 1.4506 3 4 2 4 66.20 2.26 1.4118 4 2 7 4 66.65 1.64 1.4031 2 2 12 4 68.18 2.17 1.3755 2 4 8 4 68.94 1.91 1.3620 4 2 8 4 70.09 1.01 1.3426 3 4 6 4 70.51 2.64 1.3356 1 4 10 4 72.00 2.11 1.3116 4 2 9 4 76.91 1.38 1.2396 0 4 12 4 79.00 1.61 1.2120 4 2 11 4 79.49 2.14 1.2058 1 6 2 4 81.29 1.67 1.1835 3 4 10 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.