Hydrotungstite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R120104 Barkley M C, Yang H, Evans S H, Downs R T, Origlieri M J Acta Crystallographica E67 (2011) i47-i48 Redetermination of despujolsite, Ca3Mn4+(SO4)2(OH)6*3H2O Locality: N'Chwaning III mine, Kalahari Manganese Field, South Africa _database_code_amcsd 0018458 CELL PARAMETERS: 8.5232 8.5232 10.8009 90.000 90.000 120.000 SPACE GROUP: P-62c ATOM X Y Z OCCUPANCY ISO(B) Ca 0.15210 0.30348 0.25000 1.000 0.857 Mn 0.00000 0.00000 0.00000 1.000 0.668 S 0.33333 0.66667 0.02544 1.000 0.739 O 0.33333 0.66667 -0.11153 1.000 1.319 O 0.24190 0.47842 0.06891 1.000 1.484 Oh 0.89450 0.09660 0.11070 1.000 0.861 O 0.50060 0.48530 0.25000 1.000 1.350 H 0.83600 0.12500 0.07600 1.000 2.053 H 0.52100 0.44500 0.19300 1.000 3.632 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 6 +/- 6 +/- 9 MAX. ABS. INTENSITY / VOLUME**2: 18.76389174 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 11.99 30.31 7.3813 1 0 0 14.53 13.29 6.0942 1 0 1 16.41 1.58 5.4005 0 0 2 20.84 42.92 4.2616 1 1 0 24.11 3.48 3.6907 2 0 0 25.51 23.68 3.4924 2 0 1 26.65 100.00 3.3454 1 1 2 27.57 2.03 3.2359 1 0 3 33.17 1.19 2.7012 2 1 1 33.18 4.67 2.7002 0 0 4 34.81 22.29 2.5771 2 0 3 36.24 9.81 2.4787 2 1 2 37.49 2.81 2.3990 3 0 1 40.28 17.29 2.2390 3 0 2 40.92 13.81 2.2053 2 1 3 41.43 1.39 2.1792 2 0 4 42.42 24.28 2.1308 2 2 0 43.66 9.07 2.0732 1 0 5 44.61 16.65 2.0314 3 0 3 45.78 1.33 1.9821 2 2 2 46.82 2.12 1.9403 2 1 4 48.85 2.52 1.8643 2 0 5 50.15 6.96 1.8190 4 0 1 50.16 1.74 1.8187 3 0 4 50.71 2.61 1.8002 0 0 6 52.40 2.08 1.7462 4 0 2 53.66 6.82 1.7080 2 1 5 54.16 3.36 1.6934 3 2 0 54.89 17.16 1.6727 2 2 4 55.41 3.40 1.6583 1 1 6 56.40 3.83 1.6314 3 1 4 56.91 2.12 1.6179 2 0 6 57.19 1.54 1.6107 4 1 0 57.88 1.78 1.5931 4 1 1 59.93 9.64 1.5435 4 1 2 64.10 5.45 1.4528 3 0 6 65.01 1.67 1.4346 3 2 4 65.58 2.70 1.4236 2 0 7 65.73 4.43 1.4205 3 3 0 67.73 1.55 1.3834 4 2 1 68.27 4.56 1.3738 3 3 2 68.72 1.61 1.3659 5 0 3 69.64 1.10 1.3501 0 0 8 70.97 1.44 1.3281 1 0 8 72.70 2.57 1.3007 4 2 3 77.61 1.67 1.2302 6 0 0 79.92 2.84 1.2004 4 1 6 81.28 3.07 1.1837 4 0 7 83.78 1.70 1.1546 5 2 2 85.06 3.40 1.1405 2 2 8 87.04 3.20 1.1195 6 0 4 88.74 1.41 1.1024 2 1 9 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.