Berzelianite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern of R060260 Borchert W Zeitschrift fur Kristallographie 106 (1945) 5-24 Gitterumwandlungen im System Cu2-x Se Locality: CELL PARAMETERS: 5.7400 5.7400 5.7400 90.000 90.000 90.000 SPACE GROUP: F-43m ATOM X Y Z OCCUPANCY ISO(B) Cu 0.25000 0.25000 0.25000 0.900 0.700 Cu 0.50000 0.50000 0.50000 0.180 0.700 Cu 0.66667 0.66667 0.66667 0.180 0.700 Se 0.00000 0.00000 0.00000 1.000 0.600 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 0.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 5 +/- 5 +/- 5 MAX. ABS. INTENSITY / VOLUME**2: 155.0210956 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 26.90 47.28 3.3140 1 1 1 44.65 100.00 2.0294 2 2 0 52.90 42.68 1.7307 3 1 1 55.45 1.97 1.6570 2 2 2 64.99 8.75 1.4350 4 0 0 71.67 8.52 1.3168 3 3 1 73.83 2.93 1.2835 4 2 0 82.29 22.01 1.1717 4 2 2 88.51 4.62 1.1047 3 3 3 88.51 9.70 1.1047 5 1 1 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.