Corkite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R070491 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: 7.2920 7.2920 16.9370 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: 0.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 5 +/- 5 +/- 15 MAX. ABS. INTENSITY / VOLUME**2: 74.90046475 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 14.97 100.00 5.9171 1 0 1 15.70 1.79 5.6457 0 0 3 17.52 4.93 5.0624 0 1 2 24.41 29.67 3.6460 1 1 0 25.32 6.93 3.5169 1 0 4 28.76 2.10 3.1040 0 2 1 29.16 89.98 3.0628 1 1 3 29.93 6.21 2.9851 0 1 5 30.21 24.34 2.9586 2 0 2 31.70 14.12 2.8228 0 0 6 35.46 22.70 2.5312 0 2 4 38.07 13.35 2.3635 2 1 1 39.00 1.86 2.3097 2 0 5 39.21 11.93 2.2974 1 2 2 39.90 22.95 2.2594 1 0 7 40.41 5.74 2.2320 1 1 6 42.97 1.79 2.1050 3 0 0 43.53 4.27 2.0793 2 1 4 45.17 1.03 2.0073 0 1 8 46.02 18.45 1.9724 0 3 3 46.02 4.24 1.9724 3 0 3 46.55 6.99 1.9511 1 2 5 50.03 18.28 1.8230 2 2 0 52.01 5.99 1.7584 2 0 8 52.53 3.29 1.7422 1 3 1 53.96 5.62 1.6992 2 1 7 54.37 1.17 1.6875 0 3 6 54.37 1.00 1.6875 3 0 6 54.90 5.54 1.6723 1 1 9 56.23 1.28 1.6359 1 0 10 59.41 5.19 1.5558 3 1 5 59.57 4.85 1.5520 0 4 2 60.45 10.62 1.5314 2 2 6 62.20 9.24 1.4925 0 2 10 62.82 4.06 1.4793 4 0 4 64.56 2.72 1.4435 3 2 1 65.83 3.22 1.4188 1 3 7 66.66 2.56 1.4030 0 3 9 68.03 1.72 1.3781 4 1 0 70.32 4.01 1.3388 4 1 3 70.32 3.02 1.3388 1 4 3 74.34 1.08 1.2760 1 0 13 76.66 3.75 1.2430 3 2 7 78.57 1.29 1.2175 1 3 10 83.76 1.64 1.1549 4 0 10 84.77 1.98 1.1436 2 1 13 87.38 1.82 1.1160 2 2 12 87.80 1.02 1.1118 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.