Corkite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R070403 Giuseppe G, Tadini C Neues Jahrbuch fur Mineralogie, Monatshefte 1987 (1987) 71-81 Corkite, PbFe3(SO4)(PO4)(OH)6, its crystal structure and ordered arrangement of the tetrahedral cations Note: this is the prefered structure of these authors Locality: Dernbach, Hessen-Nassau, Germany CELL PARAMETERS: 7.2850 7.2850 16.8310 90.000 90.000 120.000 SPACE GROUP: R3m ATOM X Y Z OCCUPANCY ISO(B) Pb 0.00000 0.00000 0.00000 1.000 4.050 Fe 0.50130 0.00260 0.50020 1.000 0.870 S 0.00000 0.00000 -0.30980 1.000 0.580 P 0.00000 0.00000 0.31440 1.000 1.110 O 0.00000 0.00000 -0.39670 1.000 1.120 O 0.00000 0.00000 0.40510 1.000 0.890 O -0.21910 0.21910 0.05040 1.000 0.810 O 0.22160 -0.22160 -0.05600 1.000 1.010 Oh -0.12640 0.12640 -0.12580 1.000 1.050 Oh 0.12640 -0.12640 0.13730 1.000 0.800 H -0.19400 0.19400 -0.10800 1.000 3.000 H 0.19200 -0.19200 0.11900 1.000 3.000 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: 75.85777833 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 15.00 100.00 5.9076 1 0 1 15.80 1.77 5.6103 0 0 3 17.57 4.92 5.0480 0 1 2 24.44 29.70 3.6425 1 1 0 25.44 6.87 3.5006 1 0 4 28.79 2.10 3.1005 0 2 1 29.23 89.63 3.0551 1 1 3 30.09 6.15 2.9699 0 1 5 30.26 24.31 2.9538 2 0 2 31.90 13.90 2.8052 0 0 6 35.57 22.57 2.5240 0 2 4 38.12 13.35 2.3610 2 1 1 39.14 1.83 2.3018 2 0 5 39.27 11.91 2.2943 1 2 2 40.13 22.57 2.2468 1 0 7 40.59 5.67 2.2225 1 1 6 43.01 1.79 2.1030 3 0 0 43.63 4.24 2.0746 2 1 4 45.44 1.01 1.9958 0 1 8 46.09 18.40 1.9692 0 3 3 46.09 4.23 1.9692 3 0 3 46.68 6.94 1.9458 1 2 5 50.09 18.28 1.8212 2 2 0 52.26 5.89 1.7503 2 0 8 52.58 3.29 1.7404 1 3 1 54.17 5.56 1.6931 2 1 7 54.54 1.16 1.6827 0 3 6 55.21 5.44 1.6637 1 1 9 56.60 1.25 1.6262 1 0 10 59.54 5.16 1.5526 3 1 5 59.64 4.85 1.5503 0 4 2 60.62 10.54 1.5275 2 2 6 62.55 9.06 1.4850 0 2 10 62.93 4.05 1.4769 4 0 4 64.63 2.72 1.4421 3 2 1 66.03 3.19 1.4148 1 3 7 66.96 2.52 1.3975 0 3 9 68.11 1.72 1.3767 4 1 0 70.42 4.00 1.3371 4 1 3 70.42 3.02 1.3371 1 4 3 74.87 1.05 1.2683 1 0 13 76.88 3.72 1.2400 3 2 7 78.92 1.27 1.2130 1 3 10 84.11 1.62 1.1509 4 0 10 85.31 1.95 1.1378 2 1 13 87.85 1.80 1.1112 2 2 12 88.11 1.01 1.1087 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.