Alunite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern of R060430 Menchetti S, Sabelli C Neues Jahrbuch fur Mineralogie, Monatshefte 1976 (1976) 406-417 Crystal chemistry of the alunite series: crystal structure refinement of alunite and synthetic jarosite Note: none of the reported bond lengths can be reproduced Locality: Montioni, Toscana, Italy CELL PARAMETERS: 6.9790 6.9790 17.2840 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 0.970 Al 0.00000 0.50000 0.50000 1.000 0.380 S 0.00000 0.00000 0.30290 1.000 0.470 O 0.00000 0.00000 0.38715 1.000 0.700 O 0.21788 -0.21788 -0.05998 1.000 0.600 Oh 0.12587 -0.12587 0.14256 1.000 0.550 H 0.17400 -0.17400 0.12000 1.000 1.340 X-RAY WAVELENGTHS: 1.540562 1.544390 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 5 +/- 5 +/- 15 MAX. ABS. INTENSITY / VOLUME**2: 16.75576186 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 15.37 / 15.41 2.03 / 1.01 5.7613 0 0 3 15.52 / 15.56 17.74 / 8.87 5.7052 1 0 1 17.89 / 17.94 50.65 / 25.33 4.9529 0 1 2 25.51 / 25.57 27.70 / 13.85 3.4895 1 1 0 29.75 / 29.82 3.60 / 1.80 3.0007 0 1 5 29.91 / 29.99 100.00 / 50.00 2.9847 1 1 3 29.99 / 30.07 24.85 / 12.42 2.9768 0 2 1 31.02 / 31.10 10.56 / 5.28 2.8807 0 0 6 36.24 / 36.34 4.35 / 2.18 2.4764 0 2 4 39.39 / 39.49 34.42 / 17.21 2.2858 1 0 7 39.58 / 39.68 3.04 / 1.52 2.2752 2 0 5 40.82 / 40.93 6.99 / 3.50 2.2086 1 2 2 44.84 / 44.96 1.63 / 0.82 2.0196 2 1 4 47.29 / 47.42 6.00 / 3.00 1.9204 0 0 9 47.79 / 47.91 1.47 / 0.74 1.9017 3 0 3 47.79 / 47.91 33.26 / 16.63 1.9017 0 3 3 51.99 / 52.13 1.41 / 0.70 1.7575 2 0 8 52.40 / 52.54 24.80 / 12.40 1.7448 2 2 0 55.82 / 55.97 2.39 / 1.20 1.6456 3 1 2 58.78 / 58.94 1.72 / 0.86 1.5697 1 2 8 59.06 / 59.22 1.09 / 0.55 1.5628 1 3 4 61.42 / 61.59 3.22 / 1.61 1.5083 3 1 5 61.56 / 61.73 1.20 / 0.60 1.5053 4 0 1 61.78 / 61.95 19.57 / 9.79 1.5003 0 2 10 62.15 / 62.32 9.03 / 4.52 1.4924 2 2 6 62.33 / 62.50 2.45 / 1.23 1.4884 0 4 2 65.37 / 65.56 2.83 / 1.41 1.4263 4 0 4 67.30 / 67.49 2.17 / 1.09 1.3901 0 3 9 67.48 / 67.67 4.29 / 2.14 1.3869 1 3 7 67.74 / 67.93 1.11 / 0.55 1.3821 3 2 1 67.95 / 68.14 1.17 / 0.59 1.3783 2 1 10 68.48 / 68.67 3.02 / 1.51 1.3691 2 3 2 71.47 / 71.67 2.41 / 1.21 1.3189 4 1 0 72.77 / 72.98 2.29 / 1.14 1.2985 1 0 13 73.24 / 73.45 2.16 / 1.08 1.2914 2 2 9 73.62 / 73.83 5.44 / 2.72 1.2856 4 1 3 73.62 / 73.83 3.04 / 1.52 1.2856 1 4 3 79.16 / 79.39 7.85 / 3.92 1.2090 3 2 7 79.60 / 79.84 3.23 / 1.62 1.2033 1 3 10 82.21 / 82.45 1.96 / 0.98 1.1717 0 3 12 82.94 / 83.19 1.33 / 0.67 1.1632 3 3 0 84.19 / 84.44 4.75 / 2.37 1.1491 2 1 13 85.24 / 85.50 3.24 / 1.62 1.1376 4 0 10 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.