Magnesioferrite Diffraction data computed using the structute from the paper listed below, along with the cell parameters refined from single crystal data of R070127 O'Neill H St C, Annersten H, Virgo D American Mineralogist 77 (1992) 725-740 The temperature dependence of the cation distribution in magnesioferrite (MgFe2O4) from powder XRD structural refinements and Mossbauer spectroscopy batch 1, anneal T = 400 C using Rietveld method CELL PARAMETERS: 8.4340 8.4340 8.4340 90.000 90.000 90.000 ALTERNATE SETTING FOR SPACE GROUP: Fd3m ATOM X Y Z OCCUPANCY ISO(B) Mg 0.12500 0.12500 0.12500 0.101 0.245 Fe 0.12500 0.12500 0.12500 0.899 0.245 Mg 0.50000 0.50000 0.50000 0.449 0.345 Fe 0.50000 0.50000 0.50000 0.550 0.345 O 0.25570 0.25570 0.25570 1.000 0.475 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 0.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 7 +/- 7 +/- 7 MAX. ABS. INTENSITY / VOLUME**2: 62.55747812 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 18.22 2.08 4.8694 1 1 1 29.97 36.83 2.9819 2 2 0 35.29 100.00 2.5429 3 1 1 36.92 2.32 2.4347 2 2 2 42.89 18.20 2.1085 4 0 0 53.20 12.72 1.7216 4 2 2 56.71 6.15 1.6231 3 3 3 56.71 27.15 1.6231 5 1 1 62.27 46.42 1.4909 4 4 0 70.63 4.74 1.3335 6 2 0 73.65 9.24 1.2862 5 3 3 74.65 1.98 1.2715 6 2 2 78.59 2.30 1.2173 4 4 4 86.32 5.41 1.1270 6 4 2 89.19 6.12 1.0980 5 5 3 89.19 8.91 1.0980 7 3 1 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.