Calcite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern of R050048 Graf D L American Mineralogist 46 (1961) 1283-1316 Crystallographic tables for the rhombohedral carbonates CELL PARAMETERS: 4.9793 4.9793 17.0244 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: 26.67347400 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 23.12 8.11 3.8468 0 1 2 29.49 100.00 3.0292 1 0 4 31.53 2.42 2.8374 0 0 6 36.08 13.71 2.4897 1 1 0 39.53 20.12 2.2799 1 1 3 43.29 14.24 2.0901 2 0 2 47.26 6.15 1.9234 0 2 4 47.65 19.63 1.9083 0 1 8 48.65 19.98 1.8714 1 1 6 56.74 3.72 1.6224 2 1 1 57.58 9.16 1.6008 1 2 2 60.86 5.27 1.5221 2 1 4 61.19 2.40 1.5146 2 0 8 61.57 3.17 1.5062 1 1 9 63.26 2.28 1.4701 1 2 5 64.87 6.82 1.4374 3 0 0 65.83 3.89 1.4187 0 0 12 69.42 1.50 1.3539 2 1 7 70.48 2.12 1.3361 0 2 10 73.14 2.69 1.2939 1 2 8 77.43 1.92 1.2326 1 1 12 81.81 2.23 1.1773 2 1 10 84.07 1.57 1.1514 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.