Cuprostibite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern of R060838 Pearson W B Zeitschrift fur Kristallographie 171 (1985) 23-39 The Cu2Sb and related structures CELL PARAMETERS: 3.9970 3.9970 6.0940 90.000 90.000 90.000 SPACE GROUP: P4/nmm ATOM X Y Z OCCUPANCY ISO(B) Cu 0.00000 0.00000 0.00000 1.000 0.700 Sb 0.50000 0.00000 0.70000 1.000 1.000 Cu 0.50000 0.00000 0.27000 1.000 0.700 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 0.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 3 +/- 3 +/- 5 MAX. ABS. INTENSITY / VOLUME**2: 202.0355134 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 14.54 4.35 6.0940 0 0 1 26.67 15.26 3.3422 1 0 1 29.31 13.11 3.0470 0 0 2 31.66 33.93 2.8263 1 1 0 35.00 47.40 2.5640 1 1 1 37.10 8.46 2.4232 1 0 2 43.68 100.00 2.0721 1 1 2 44.61 15.79 2.0313 0 0 3 45.38 54.30 1.9985 2 0 0 53.42 3.91 1.7152 2 1 1 54.94 7.76 1.6711 2 0 2 55.73 2.34 1.6495 1 1 3 60.00 3.64 1.5418 2 1 2 60.80 4.19 1.5235 0 0 4 65.52 17.04 1.4246 2 0 3 65.58 3.08 1.4236 1 0 4 66.12 14.97 1.4132 2 2 0 73.93 2.80 1.2820 2 2 2 75.17 4.23 1.2640 3 1 0 77.06 6.92 1.2376 3 1 1 79.03 6.68 1.2116 2 0 4 82.65 22.91 1.1675 3 1 2 83.30 7.60 1.1601 2 2 3 83.35 2.85 1.1595 2 1 4 87.08 9.63 1.1192 1 1 5 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.