Calcite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern of R050130 Graf D L American Mineralogist 46 (1961) 1283-1316 Crystallographic tables for the rhombohedral carbonates CELL PARAMETERS: 4.9903 4.9903 17.0652 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: 26.50073033 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 23.07 8.09 3.8554 0 1 2 29.42 100.00 3.0361 1 0 4 31.45 2.43 2.8442 0 0 6 35.99 13.71 2.4952 1 1 0 39.44 20.15 2.2850 1 1 3 43.19 14.25 2.0947 2 0 2 47.15 6.16 1.9277 0 2 4 47.53 19.67 1.9128 0 1 8 48.54 20.02 1.8757 1 1 6 56.60 3.73 1.6260 2 1 1 57.44 9.18 1.6043 1 2 2 60.71 5.28 1.5255 2 1 4 61.04 2.41 1.5181 2 0 8 61.41 3.19 1.5097 1 1 9 63.10 2.29 1.4734 1 2 5 64.71 6.84 1.4406 3 0 0 65.65 3.91 1.4221 0 0 12 69.24 1.51 1.3570 2 1 7 70.29 2.13 1.3392 0 2 10 72.94 2.69 1.2969 1 2 8 77.21 1.93 1.2355 1 1 12 81.58 2.24 1.1800 2 1 10 83.84 1.57 1.1540 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.