Fleischerite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R120054 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: 8.5220 8.5220 10.7960 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 0.910 Pb 0.16000 0.31726 0.25000 1.000 1.190 S 0.33333 0.66667 0.02100 1.000 1.230 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: +/- 6 +/- 6 +/- 9 MAX. ABS. INTENSITY / VOLUME**2: 118.9822320 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 11.99 36.46 7.3803 1 0 0 14.54 41.71 6.0927 1 0 1 16.42 35.27 5.3980 0 0 2 20.38 4.65 4.3570 1 0 2 24.12 15.06 3.6901 2 0 0 25.51 100.00 3.4918 2 0 1 26.65 52.77 3.3446 1 1 2 27.58 4.22 3.2346 1 0 3 29.32 20.94 3.0463 2 0 2 33.17 20.25 2.7008 2 1 1 33.19 20.88 2.6990 0 0 4 34.82 59.87 2.5764 2 0 3 35.41 1.42 2.5348 1 0 4 36.25 1.38 2.4781 2 1 2 36.52 1.52 2.4601 3 0 0 39.52 1.17 2.2801 1 1 4 40.29 11.90 2.2386 3 0 2 40.93 15.26 2.2047 2 1 3 41.45 5.08 2.1785 2 0 4 42.43 29.36 2.1305 2 2 0 43.68 4.91 2.0723 1 0 5 44.62 3.15 2.0309 3 0 3 45.08 5.12 2.0111 3 1 1 45.79 24.34 1.9817 2 2 2 46.84 2.05 1.9397 2 1 4 47.51 1.29 1.9139 3 1 2 48.87 16.62 1.8636 2 0 5 49.39 1.41 1.8451 4 0 0 50.16 17.81 1.8187 4 0 1 50.74 2.88 1.7993 0 0 6 51.35 1.06 1.7792 3 1 3 52.41 6.80 1.7459 4 0 2 53.68 7.29 1.7074 2 1 5 54.17 4.13 1.6931 3 2 0 54.90 25.43 1.6723 2 2 4 55.43 5.26 1.6576 1 1 6 56.01 9.16 1.6418 4 0 3 56.42 3.02 1.6309 3 1 4 56.94 3.74 1.6173 2 0 6 57.00 2.02 1.6155 3 2 2 57.89 1.26 1.5929 4 1 1 59.94 6.45 1.5433 4 1 2 62.53 1.07 1.4855 3 1 5 63.63 2.92 1.4624 5 0 1 64.12 3.55 1.4523 3 0 6 65.03 4.11 1.4343 3 2 4 65.61 7.29 1.4230 2 0 7 66.68 4.93 1.4027 4 0 5 67.74 10.52 1.3832 4 2 1 68.22 5.28 1.3747 2 2 6 68.28 2.08 1.3736 3 3 2 68.74 1.90 1.3656 5 0 3 69.62 4.03 1.3504 4 2 2 69.68 2.18 1.3495 0 0 8 71.74 1.62 1.3157 5 1 1 72.71 9.33 1.3005 4 2 3 73.52 2.21 1.2882 4 0 6 76.95 1.89 1.2391 4 2 4 77.39 1.02 1.2331 3 2 6 77.62 3.44 1.2300 6 0 0 78.49 1.50 1.2185 5 0 5 79.94 2.74 1.2000 4 1 6 80.00 2.68 1.1993 6 0 2 81.31 4.56 1.1833 4 0 7 82.30 5.02 1.1716 4 2 5 83.79 1.01 1.1544 5 2 2 85.03 2.73 1.1408 2 0 9 85.10 5.30 1.1400 2 2 8 86.07 1.03 1.1297 5 1 5 87.06 5.18 1.1193 6 0 4 88.75 1.70 1.1023 4 2 6 88.79 1.30 1.1020 2 1 9 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.