Trevorite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R140860 Blesa M C, Amador U, Moran E, Menendez N, Tornero J D, Rodriguez-Carvajal J Solid State Ionics 63 (1993) 429-436 Synthesis and characterization of nickel and magnesium ferrites obtained from alpha-NaFeO2 Locality: synthetic _database_code_amcsd 0015511 CELL PARAMETERS: 8.3350 8.3350 8.3350 90.000 90.000 90.000 SPACE GROUP: Fd-3m ATOM X Y Z OCCUPANCY ISO(B) Ni 0.62500 0.62500 0.62500 0.595 0.280 Fe 0.62500 0.62500 0.62500 0.405 0.280 Fe 0.00000 0.00000 0.00000 0.890 0.260 Ni 0.12500 0.12500 0.12500 0.120 0.700 O 0.37980 0.37980 0.37980 1.000 1.900 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 7 +/- 7 +/- 7 MAX. ABS. INTENSITY / VOLUME**2: 79.95581628 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 18.44 9.58 4.8122 1 1 1 30.33 26.55 2.9469 2 2 0 35.73 100.00 2.5131 3 1 1 37.37 22.51 2.4061 2 2 2 43.43 35.24 2.0838 4 0 0 53.89 9.10 1.7014 4 2 2 57.45 6.60 1.6041 3 3 3 57.45 25.49 1.6041 5 1 1 63.10 54.99 1.4734 4 4 0 66.35 1.36 1.4089 5 3 1 71.60 3.40 1.3179 6 2 0 74.68 9.30 1.2711 5 3 3 75.69 10.95 1.2565 6 2 2 79.70 4.70 1.2031 4 4 4 87.60 3.83 1.1138 6 4 2 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.