Trevorite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R150038 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: 8.1940 8.1940 8.1940 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: 84.19444619 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 18.76 9.68 4.7308 1 1 1 30.87 26.62 2.8970 2 2 0 36.36 100.00 2.4706 3 1 1 38.04 22.73 2.3654 2 2 2 44.21 34.81 2.0485 4 0 0 54.89 9.00 1.6726 4 2 2 58.53 6.53 1.5769 3 3 3 58.53 25.13 1.5769 5 1 1 64.31 53.89 1.4485 4 4 0 67.64 1.34 1.3850 5 3 1 73.03 3.35 1.2956 6 2 0 76.19 9.18 1.2496 5 3 3 77.23 10.93 1.2353 6 2 2 81.36 4.60 1.1827 4 4 4 89.51 3.82 1.0950 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.