Pucherite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R080137 Mereiter K, Preisinger A Anzeiger der Osterreichische Akademie der Wissenschaften 123 (1986) 79-81 Kristallstrukturdaten der wismutminerale atelestit, mixit und pucherit Locality: Schneeberg, Saxony, Germany CELL PARAMETERS: 5.3050 5.0340 11.9470 90.000 90.000 90.000 SPACE GROUP: Pnca ATOM X Y Z OCCUPANCY ISO(B) Bi 0.25000 0.00000 0.11045 1.000 1.200 V 0.25000 0.00000 0.39396 1.000 0.800 O -0.08390 -0.24340 0.03660 1.000 1.300 O -0.04380 0.35850 0.19190 1.000 1.400 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 4 +/- 4 +/- 10 MAX. ABS. INTENSITY / VOLUME**2: 174.1928482 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 14.83 9.82 5.9735 0 0 2 19.13 41.60 4.6390 0 1 1 22.41 44.34 3.9666 1 0 2 25.51 100.00 3.4921 1 1 1 28.58 4.42 3.1232 0 1 3 29.92 26.15 2.9867 0 0 4 33.29 85.71 2.6914 1 1 3 33.79 18.55 2.6525 2 0 0 34.46 1.65 2.6026 1 0 4 35.67 16.74 2.5170 0 2 0 37.08 1.96 2.4242 2 0 2 38.96 2.28 2.3119 1 1 4 39.12 16.83 2.3027 2 1 1 41.34 1.04 2.1842 2 1 2 41.85 12.04 2.1586 0 1 5 42.54 22.35 2.1252 1 2 2 44.83 6.52 2.0218 2 1 3 45.36 4.20 1.9994 1 1 5 45.56 2.36 1.9912 0 0 6 45.75 20.88 1.9833 2 0 4 47.22 19.91 1.9247 0 2 4 48.86 7.02 1.8642 1 0 6 49.95 19.28 1.8258 2 2 0 50.44 1.86 1.8093 1 2 4 52.40 1.46 1.7461 2 2 2 54.09 6.52 1.6956 3 0 2 54.83 6.86 1.6742 2 1 5 55.28 2.93 1.6617 0 3 1 55.62 8.18 1.6524 3 1 1 57.91 3.75 1.5924 2 0 6 58.18 7.57 1.5857 1 3 1 59.16 3.16 1.5616 0 2 6 59.32 14.97 1.5578 2 2 4 59.81 1.52 1.5463 0 3 3 59.81 17.48 1.5462 1 1 7 60.13 14.60 1.5388 3 1 3 61.94 4.06 1.4981 1 2 6 62.16 1.40 1.4934 0 0 8 62.57 12.47 1.4846 1 3 3 64.86 1.30 1.4375 1 0 8 66.39 2.72 1.4082 2 3 1 66.49 4.14 1.4063 3 2 2 68.31 1.55 1.3732 0 3 5 69.90 2.97 1.3457 2 2 6 71.08 2.49 1.3262 4 0 0 72.66 2.98 1.3013 2 0 8 73.78 2.53 1.2843 0 2 8 73.83 1.87 1.2836 0 1 9 74.40 1.95 1.2752 4 1 1 75.55 2.08 1.2585 0 4 0 76.28 1.02 1.2483 1 2 8 78.42 3.15 1.2195 2 3 5 78.99 3.20 1.2121 4 0 4 79.08 3.32 1.2109 3 3 1 79.98 2.68 1.1996 1 4 2 80.37 1.17 1.1947 0 0 10 80.51 6.98 1.1930 3 1 7 82.15 3.38 1.1733 4 2 0 82.39 2.69 1.1705 3 2 6 82.67 6.23 1.1672 1 3 7 82.95 4.41 1.1640 3 3 3 83.32 2.37 1.1598 0 4 4 83.66 2.85 1.1560 2 2 8 83.71 2.47 1.1554 2 1 9 85.38 2.96 1.1370 2 4 0 86.04 2.16 1.1300 4 1 5 89.81 4.03 1.0921 4 2 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.