Fluorite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern of R040099 Speziale S, Duffy T S Physics and Chemistry of Minerals 29 (2002) 465-472 Single-crystal elastic constants of fluorite (CaF2) to 9.3 GPa Sample: P = 0 GPa CELL PARAMETERS: 5.4639 5.4639 5.4639 90.000 90.000 90.000 SPACE GROUP: Fm3m ATOM X Y Z OCCUPANCY ISO(B) Ca 0.00000 0.00000 0.00000 1.000 1.300 F 0.25000 0.25000 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: +/- 5 +/- 5 +/- 5 MAX. ABS. INTENSITY / VOLUME**2: 36.11641905 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 28.29 91.58 3.1546 1 1 1 47.04 100.00 1.9318 2 2 0 55.80 28.89 1.6474 3 1 1 68.72 10.85 1.3660 4 0 0 75.90 8.76 1.2535 3 3 1 87.45 17.34 1.1153 4 2 2 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.