Gahnite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern of R040027 Andreozzi G B, Lucchesi S, Skogby H, Della Giusta A European Journal of Mineralogy 13 (2001) 391-402 Compositional dependence of cation distribution in some synthetic (Mg,Zn)(Al,Fe)2O4 spinels Sample: Gah1a/a CELL PARAMETERS: 8.0988 8.0988 8.0988 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 0.225 0.616 Zn 0.12500 0.12500 0.12500 0.647 0.616 Al 0.12500 0.12500 0.12500 0.128 0.616 Mg 0.50000 0.50000 0.50000 0.065 0.513 Al 0.50000 0.50000 0.50000 0.935 0.513 O 0.26339 0.26339 0.26339 1.000 0.624 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: 40.91282012 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 31.24 65.18 2.8634 2 2 0 36.81 100.00 2.4419 3 1 1 44.76 11.05 2.0247 4 0 0 49.03 5.91 1.8580 3 3 1 55.59 19.85 1.6532 4 2 2 59.29 4.03 1.5586 3 3 3 59.29 36.67 1.5586 5 1 1 65.16 48.65 1.4317 4 4 0 74.03 6.67 1.2805 6 2 0 77.25 9.67 1.2351 5 3 3 82.52 1.01 1.1690 4 4 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.