Spherocobaltite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R060497 Graf D L American Mineralogist 46 (1961) 1283-1316 Crystallographic tables for the rhombohedral carbonates CELL PARAMETERS: 4.6300 4.6300 14.9400 90.000 90.000 120.000 SPACE GROUP: R-3c ATOM X Y Z OCCUPANCY ISO(B) Co 0.00000 0.00000 0.00000 1.000 0.700 C 0.00000 0.00000 0.25000 1.000 0.300 O 0.27610 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: 52.09611448 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 25.21 41.91 3.5329 0 1 2 32.77 100.00 2.7330 1 0 4 38.90 22.99 2.3150 1 1 0 43.09 15.45 2.0993 1 1 3 46.92 20.31 1.9363 2 0 2 51.75 11.53 1.7665 0 2 4 54.09 29.03 1.6954 1 1 6 54.18 18.69 1.6929 0 1 8 61.50 1.54 1.5078 2 1 1 62.54 13.10 1.4853 1 2 2 66.59 10.76 1.4043 2 1 4 66.83 2.71 1.4000 1 0 10 68.69 4.34 1.3665 2 0 8 69.70 1.94 1.3490 1 1 9 70.45 10.13 1.3366 3 0 0 76.52 3.20 1.2450 0 0 12 80.11 2.93 1.1980 0 2 10 81.86 5.40 1.1768 1 2 8 89.35 3.34 1.0965 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.