Calcite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern of R050009 Graf D L American Mineralogist 46 (1961) 1283-1316 Crystallographic tables for the rhombohedral carbonates CELL PARAMETERS: 4.9892 4.9892 17.0620 90.000 90.000 120.000 SPACE GROUP: R-3c ATOM X Y Z OCCUPANCY ISO(B) Ca 0.00000 0.00000 0.00000 1.000 1.300 C 0.00000 0.00000 0.25000 1.000 0.300 O 0.25780 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 +/- 15 MAX. ABS. INTENSITY / VOLUME**2: 26.51735321 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 23.07 8.10 3.8546 0 1 2 29.42 100.00 3.0355 1 0 4 31.46 2.43 2.8437 0 0 6 36.00 13.71 2.4946 1 1 0 39.44 20.15 2.2845 1 1 3 43.20 14.25 2.0943 2 0 2 47.16 6.16 1.9273 0 2 4 47.54 19.67 1.9125 0 1 8 48.55 20.02 1.8753 1 1 6 56.62 3.73 1.6257 2 1 1 57.45 9.18 1.6040 1 2 2 60.73 5.28 1.5251 2 1 4 61.05 2.41 1.5178 2 0 8 61.43 3.18 1.5094 1 1 9 63.11 2.29 1.4731 1 2 5 64.72 6.84 1.4403 3 0 0 65.67 3.91 1.4218 0 0 12 69.25 1.51 1.3567 2 1 7 70.30 2.13 1.3390 0 2 10 72.96 2.69 1.2966 1 2 8 77.23 1.93 1.2353 1 1 12 81.60 2.24 1.1798 2 1 10 83.86 1.57 1.1537 1 3 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.