Diamond Diffraction data computed using the structute from the paper listed below, along with the cell parameters refined from single crystal data of R050204 Wyckoff R W G Crystal Structures 1 (1963) 7-83 Second edition. Interscience Publishers, New York, New York CELL PARAMETERS: 3.5500 3.5500 3.5500 90.000 90.000 90.000 SPACE GROUP: Fd3m ATOM X Y Z OCCUPANCY ISO(B) C 0.00000 0.00000 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: +/- 3 +/- 3 +/- 3 MAX. ABS. INTENSITY / VOLUME**2: 12.95943248 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 44.19 100.00 2.0496 1 1 1 75.79 36.59 1.2551 2 2 0 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.