Alunite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R070448 Hendricks S B American Mineralogist 22 (1937) 773-784 The crystal structures of alunite and the jarosites CELL PARAMETERS: 7.0580 7.0580 17.3200 90.000 90.000 120.000 SPACE GROUP: R-3m ATOM X Y Z OCCUPANCY ISO(B) K 0.00000 0.00000 0.00000 1.000 1.500 S 0.00000 0.00000 0.30500 1.000 1.000 Al 0.00000 0.50000 0.50000 1.000 0.600 O 0.00000 0.00000 0.39300 1.000 1.000 O 0.21500 -0.21500 -0.05800 1.000 1.000 OH 0.15000 -0.15000 0.12600 1.000 1.000 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 0.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 5 +/- 5 +/- 15 MAX. ABS. INTENSITY / VOLUME**2: 16.66029582 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 15.37 7.20 5.7640 1 0 1 17.76 25.46 4.9938 0 1 2 25.24 18.35 3.5290 1 1 0 29.64 4.75 3.0137 0 1 5 29.67 100.00 3.0110 1 1 3 29.68 29.53 3.0097 0 2 1 30.98 3.50 2.8867 0 0 6 35.97 9.49 2.4969 0 2 4 39.28 29.40 2.2935 1 0 7 39.31 4.77 2.2917 2 0 5 39.35 2.25 2.2900 2 1 1 40.37 1.02 2.2344 1 1 6 40.41 4.79 2.2322 1 2 2 47.23 1.82 1.9244 0 0 9 47.27 3.40 1.9231 0 2 7 47.31 25.14 1.9213 0 3 3 51.75 2.22 1.7666 2 0 8 51.81 32.31 1.7645 2 2 0 54.33 3.79 1.6886 2 1 7 55.11 1.15 1.6664 1 0 10 55.18 1.31 1.6646 0 3 6 58.42 3.21 1.5797 1 2 8 58.47 1.21 1.5786 1 3 4 61.54 19.98 1.5068 0 2 10 61.60 6.38 1.5055 2 2 6 64.69 2.75 1.4410 4 0 4 66.84 2.36 1.3997 2 0 11 66.90 4.99 1.3985 1 3 7 67.69 1.96 1.3843 2 3 2 70.62 1.38 1.3338 4 1 0 72.63 1.17 1.3017 1 0 13 72.73 1.08 1.3001 4 0 7 72.77 2.60 1.2996 1 4 3 72.77 6.39 1.2996 4 1 3 78.38 5.71 1.2200 3 2 7 79.04 1.91 1.2115 1 3 10 83.82 4.13 1.1541 2 1 13 83.95 1.16 1.1527 3 3 3 84.56 3.74 1.1459 4 0 10 87.37 1.08 1.1161 2 4 4 89.34 1.11 1.0966 0 4 11 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.