Smithsonite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern of R040035 Graf D L American Mineralogist 46 (1961) 1283-1316 Crystallographic tables for the rhombohedral carbonates CELL PARAMETERS: 4.6594 4.6594 15.0720 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: 62.68353590 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 25.03 51.10 3.5573 0 1 2 32.51 100.00 2.7540 1 0 4 38.65 26.10 2.3297 1 1 0 42.79 12.68 2.1135 1 1 3 46.60 21.96 1.9489 2 0 2 51.37 13.05 1.7787 0 2 4 53.66 31.39 1.7082 1 1 6 53.69 19.61 1.7071 0 1 8 61.07 1.26 1.5174 2 1 1 62.09 14.83 1.4948 1 2 2 66.09 12.23 1.4137 2 1 4 66.19 3.48 1.4119 1 0 10 68.09 5.04 1.3770 2 0 8 69.07 1.61 1.3598 1 1 9 69.94 10.41 1.3451 3 0 0 75.73 3.25 1.2560 0 0 12 79.35 3.37 1.2075 0 2 10 81.13 6.20 1.1854 1 2 8 88.42 3.98 1.1056 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.