Dolomite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern of R100118 Reeder R J, Dollase W A American Mineralogist 74 (1989) 1159-1167 Structural variation in the dolomite-ankerite solid-solution series: An X-ray, Mossbauer, and TEM study sample BM 1931-294 _database_code_amcsd 0001272 CELL PARAMETERS: 4.8163 4.8163 16.0120 90.000 90.000 120.000 SPACE GROUP: R-3 ATOM X Y Z OCCUPANCY ISO(B) Ca 0.00000 0.00000 0.00000 0.944 0.692 Fe 0.00000 0.00000 0.00000 0.056 0.692 Mg 0.00000 0.00000 0.50000 0.769 0.590 Fe 0.00000 0.00000 0.50000 0.178 0.590 Ca 0.00000 0.00000 0.50000 0.053 0.590 C 0.00000 0.00000 0.24300 1.000 0.607 O 0.24850 -0.03360 0.24426 1.000 0.888 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 3 +/- 3 +/- 14 MAX. ABS. INTENSITY / VOLUME**2: 25.13901316 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 24.06 7.93 3.6991 0 1 2 30.96 100.00 2.8881 1 0 4 33.58 3.11 2.6687 0 0 6 35.34 3.22 2.5401 0 1 5 37.34 12.66 2.4081 1 1 0 41.12 8.00 2.1951 2 -1 3 41.12 16.19 2.1951 1 1 3 43.77 2.75 2.0681 0 2 1 44.91 15.13 2.0182 2 0 2 49.27 5.60 1.8496 0 2 4 50.58 17.72 1.8045 0 1 8 51.09 14.60 1.7878 2 -1 6 51.09 8.20 1.7878 1 1 6 58.86 1.70 1.5689 3 -1 1 58.86 1.70 1.5689 2 1 1 59.79 6.83 1.5468 -1 3 2 59.79 2.92 1.5468 1 2 2 63.41 4.13 1.4668 3 -1 4 63.41 2.94 1.4668 2 1 4 64.53 3.03 1.4441 2 0 8 65.20 1.23 1.4310 1 1 9 65.20 1.86 1.4310 2 -1 9 66.06 1.78 1.4144 -1 3 5 67.35 8.13 1.3903 3 0 0 70.59 3.59 1.3343 0 0 12 72.87 1.31 1.2981 2 1 7 74.75 2.87 1.2700 0 2 10 77.00 2.85 1.2385 1 2 8 82.68 1.83 1.1671 1 1 12 86.67 1.25 1.1234 3 -1 10 86.67 1.06 1.1234 2 1 10 87.84 1.49 1.1114 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.