Philipsbornite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R150127 Cooper M A, Hawthorne F C Mineralogical Magazine 76 (2012) 839-849 Refinement of the crystal structure of zoned philipsbornite-hidalgoite from the Tsumeb mine, Namibia, and hydrogen bonding in the D2+G3+3(T5+O4)(TO3OH)(OH)6 alunite structures Locality: Tsumeb mine, Namibia _database_code_amcsd 0020243 CELL PARAMETERS: 7.1510 7.1510 17.1240 90.000 90.000 120.000 SPACE GROUP: R-3m ATOM X Y Z OCCUPANCY ISO(B) Pb 0.02700 0.00000 0.00000 0.167 1.974 Al 0.50000 0.00000 0.50000 0.850 0.695 Fe 0.50000 0.00000 0.50000 0.150 0.695 As 0.00000 0.00000 0.30936 0.820 0.774 S 0.00000 0.00000 0.30936 0.180 0.774 OH 0.00000 0.00000 0.59430 0.500 1.461 O 0.00000 0.00000 0.59430 0.500 1.461 O 0.20730 0.79270 -0.05806 1.000 1.034 O 0.12428 0.87572 0.14032 1.000 0.805 H 0.19700 0.80300 0.11700 1.000 2.448 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 5 +/- 5 +/- 15 MAX. ABS. INTENSITY / VOLUME**2: 82.58168495 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 15.21 68.95 5.8238 1 0 1 15.52 18.34 5.7080 0 0 3 17.68 1.26 5.0179 0 1 2 24.90 48.81 3.5755 1 1 0 25.29 16.26 3.5215 1 0 4 29.48 100.00 3.0301 1 1 3 30.70 6.20 2.9119 2 0 2 31.34 14.05 2.8540 0 0 6 35.79 11.67 2.5090 0 2 4 38.83 7.70 2.3191 2 1 1 39.22 2.46 2.2969 2 0 5 39.61 25.18 2.2752 1 0 7 39.93 7.27 2.2579 1 2 2 40.44 16.80 2.2305 1 1 6 43.86 5.42 2.0643 3 0 0 44.09 9.04 2.0538 2 1 4 46.80 20.45 1.9413 0 3 3 46.80 6.87 1.9413 3 0 3 47.36 1.55 1.9195 0 2 7 51.09 17.38 1.7878 2 2 0 51.93 1.18 1.7608 2 0 8 53.63 2.28 1.7090 1 3 1 53.73 4.63 1.7060 2 2 3 54.24 6.15 1.6912 2 1 7 54.64 7.60 1.6797 1 1 9 54.89 2.79 1.6726 0 3 6 54.89 2.84 1.6726 3 0 6 55.69 3.07 1.6505 1 0 10 57.84 1.27 1.5941 1 3 4 60.28 1.24 1.5353 3 1 5 60.80 1.47 1.5235 0 4 2 61.17 9.19 1.5151 2 2 6 61.92 10.19 1.4985 0 2 10 63.94 2.40 1.4559 4 0 4 65.98 1.44 1.4159 3 2 1 66.52 4.82 1.4057 1 3 7 66.88 2.97 1.3991 0 3 9 66.88 1.31 1.3991 3 0 9 67.81 3.18 1.3820 2 1 10 69.56 3.81 1.3514 4 1 0 71.78 3.62 1.3151 1 4 3 71.78 5.53 1.3151 4 1 3 73.50 2.56 1.2884 1 0 13 77.73 4.89 1.2286 3 2 7 78.27 1.30 1.2214 1 4 6 78.27 1.34 1.2214 4 1 6 78.95 2.92 1.2127 1 3 10 84.33 2.22 1.1484 4 0 10 84.38 3.66 1.1479 2 1 13 87.46 1.11 1.1153 2 2 12 88.81 1.16 1.1018 4 1 9 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.