Pyrochlore Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R110198 Perrault G The Canadian Mineralogist 9 (1968) 383-402 La composition chimique et la structure cristalline du pyrochlore d'Oka, P.Q. Sample: No. 3 _database_code_amcsd 0005086 CELL PARAMETERS: 10.4530 10.4530 10.4530 90.000 90.000 90.000 SPACE GROUP: Fd3m ATOM X Y Z OCCUPANCY ISO(B) Nb 0.62500 0.62500 0.62500 1.000 1.490 Ca 0.12500 0.12500 0.12500 1.000 1.490 O 0.32200 0.00000 0.00000 1.000 1.490 F 0.00000 0.00000 0.00000 1.000 1.490 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 9 +/- 9 +/- 9 MAX. ABS. INTENSITY / VOLUME**2: 97.85981172 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 14.68 37.97 6.0350 1 1 1 28.32 21.54 3.1517 3 1 1 29.60 100.00 3.0175 2 2 2 34.32 24.72 2.6133 4 0 0 45.07 6.24 2.0117 3 3 3 45.07 1.08 2.0117 5 1 1 49.32 37.75 1.8478 4 4 0 51.74 2.99 1.7669 5 3 1 55.61 1.51 1.6528 6 2 0 57.84 3.73 1.5941 5 3 3 58.58 31.91 1.5758 6 2 2 61.46 9.03 1.5088 4 4 4 63.56 2.12 1.4637 5 5 1 63.56 1.21 1.4637 7 1 1 69.01 2.81 1.3609 7 3 1 72.32 4.85 1.3066 8 0 0 80.02 10.09 1.1990 6 6 2 82.55 8.35 1.1687 8 4 0 89.42 1.59 1.0958 9 3 1 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.