Fleischerite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R120043 Otto H H Neues Jahrbuch fur Mineralogie, Abhandlungen 123 (1975) 160-190 Die kristallstruktur von fleischerite, Pb3Ge[(OH)6|(SO4)2]*3H2O sowie kristallchemische untersuchungen an isotypen verbindungen Locality: synthetic _database_code_amcsd 0014702 CELL PARAMETERS: 8.8830 8.8830 10.8780 90.000 90.000 120.000 SPACE GROUP: P-62c ATOM X Y Z OCCUPANCY ISO(B) Ge 0.00000 0.00000 0.00000 1.000 0.963 Pb 0.16000 0.31726 0.25000 1.000 1.258 S 0.33333 0.66667 0.02100 1.000 1.310 O 0.33333 0.66667 0.85700 0.500 2.900 O 0.33333 0.66667 0.18900 0.500 2.200 Wa 0.52000 0.48000 0.25000 1.000 5.200 O 0.27500 0.49200 0.02700 1.000 3.900 OH 0.09500 0.19460 0.89210 1.000 0.940 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 7 +/- 7 +/- 9 MAX. ABS. INTENSITY / VOLUME**2: 108.9014102 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 11.50 36.28 7.6929 1 0 0 14.10 40.65 6.2810 1 0 1 16.30 32.65 5.4390 0 0 2 19.99 4.43 4.4411 1 0 2 23.12 15.19 3.8465 2 0 0 24.55 100.00 3.6264 2 0 1 25.90 51.82 3.4402 1 1 2 27.19 3.96 3.2799 1 0 3 28.42 20.47 3.1405 2 0 2 31.86 20.54 2.8090 2 1 1 32.94 19.38 2.7195 0 0 4 33.98 58.22 2.6385 2 0 3 34.99 1.57 2.5643 3 0 0 34.99 1.43 2.5642 2 1 2 35.00 1.31 2.5640 1 0 4 38.83 12.01 2.3194 3 0 2 38.83 1.12 2.3193 1 1 4 39.74 15.21 2.2684 2 1 3 40.63 30.40 2.2208 2 2 0 40.63 4.86 2.2206 2 0 4 43.21 5.29 2.0937 3 1 1 43.21 3.18 2.0937 3 0 3 43.21 4.61 2.0935 1 0 5 44.04 25.02 2.0560 2 2 2 45.68 1.34 1.9863 3 1 2 45.68 2.03 1.9862 2 1 4 47.26 1.43 1.9232 4 0 0 48.04 18.52 1.8939 4 0 1 48.05 15.84 1.8937 2 0 5 49.57 1.07 1.8389 3 1 3 50.32 7.03 1.8132 4 0 2 50.33 2.67 1.8130 0 0 6 51.80 4.31 1.7649 3 2 0 52.53 7.08 1.7420 2 1 5 53.25 25.42 1.7201 2 2 4 53.97 9.27 1.6990 4 0 3 54.68 2.04 1.6787 3 2 2 54.68 3.02 1.6786 3 1 4 54.68 4.98 1.6785 1 1 6 55.38 1.31 1.6591 4 1 1 56.08 3.51 1.6400 2 0 6 57.45 6.69 1.6041 4 1 2 60.80 3.09 1.5234 5 0 1 60.81 1.04 1.5233 3 1 5 62.76 4.16 1.4804 3 2 4 62.77 3.45 1.4804 3 0 6 64.69 11.04 1.4410 4 2 1 64.69 4.89 1.4409 4 0 5 64.69 6.85 1.4409 2 0 7 65.32 2.18 1.4285 3 3 2 65.95 1.99 1.4164 5 0 3 66.58 4.17 1.4045 4 2 2 66.59 5.15 1.4044 2 2 6 68.45 1.71 1.3707 5 1 1 69.08 2.02 1.3598 0 0 8 69.68 9.62 1.3494 4 2 3 71.52 2.17 1.3192 4 0 6 73.92 3.61 1.2822 6 0 0 73.92 1.91 1.2821 4 2 4 75.71 2.47 1.2562 4 3 1 75.71 1.51 1.2562 5 0 5 76.30 2.79 1.2479 6 0 2 77.49 2.71 1.2318 4 1 6 78.07 1.29 1.2240 5 2 1 79.25 5.00 1.2088 4 2 5 79.25 4.41 1.2087 4 0 7 79.83 3.16 1.2014 5 2 2 80.42 1.58 1.1942 4 3 3 82.75 1.03 1.1664 5 1 5 83.33 5.22 1.1597 6 0 4 83.33 5.01 1.1596 2 2 8 83.91 2.52 1.1531 2 0 9 85.64 1.64 1.1342 4 2 6 87.38 1.20 1.1161 2 1 9 89.67 1.82 1.0934 4 3 5 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.