Graphite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R090047 Kukesh J S, Pauling L American Mineralogist 35 (1950) 125-125 The problem of the graphite structure CELL PARAMETERS: 2.4600 4.2620 6.6700 90.000 90.000 90.000 SPACE GROUP: Fmmm ATOM X Y Z OCCUPANCY ISO(B) C 0.00000 0.16667 0.00000 1.000 0.300 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 2 +/- 3 +/- 6 MAX. ABS. INTENSITY / VOLUME**2: 16.60012290 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 26.73 100.00 3.3350 0 0 2 42.42 4.70 2.1310 0 2 0 44.65 15.33 2.0295 1 1 1 50.85 4.52 1.7957 0 2 2 55.07 6.52 1.6675 0 0 4 60.15 4.56 1.5383 1 1 3 71.89 1.16 1.3132 0 2 4 77.62 1.81 1.2300 2 0 0 79.17 6.81 1.2098 1 3 1 83.83 2.90 1.1540 2 0 2 85.97 1.36 1.1307 1 1 5 87.81 1.30 1.1117 0 0 6 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.