Smithsonite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern of R040051 Graf D L American Mineralogist 46 (1961) 1283-1316 Crystallographic tables for the rhombohedral carbonates CELL PARAMETERS: 4.6560 4.6560 15.0540 90.000 90.000 120.000 SPACE GROUP: R-3c ATOM X Y Z OCCUPANCY ISO(B) Zn 0.00000 0.00000 0.00000 1.000 0.700 C 0.00000 0.00000 0.25000 1.000 0.300 O 0.27640 0.00000 0.25000 1.000 1.000 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 3 +/- 3 +/- 13 MAX. ABS. INTENSITY / VOLUME**2: 62.83165574 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 25.05 51.15 3.5543 0 1 2 32.54 100.00 2.7513 1 0 4 38.68 26.12 2.3280 1 1 0 42.82 12.68 2.1118 1 1 3 46.64 21.97 1.9475 2 0 2 51.42 13.05 1.7772 0 2 4 53.71 31.37 1.7065 1 1 6 53.76 19.59 1.7052 0 1 8 61.12 1.26 1.5163 2 1 1 62.14 14.83 1.4937 1 2 2 66.15 12.23 1.4126 2 1 4 66.27 3.48 1.4103 1 0 10 68.17 5.04 1.3756 2 0 8 69.16 1.61 1.3584 1 1 9 70.00 10.40 1.3441 3 0 0 75.83 3.24 1.2545 0 0 12 79.45 3.36 1.2062 0 2 10 81.22 6.20 1.1843 1 2 8 88.54 3.97 1.1044 1 1 12 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.