Siegenite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern of R050092 Huang C H, Knop O Canadian Journal of Chemistry 49 (1971) 598-602 Chalkogenides of the transition elements. VIII A X-ray and neutron diffraction study of the spinel CoNi2S4 Sample: examined with X-ray diffraction CELL PARAMETERS: 9.4204 9.4204 9.4204 90.000 90.000 90.000 ALTERNATE SETTING FOR SPACE GROUP: Fd3m ATOM X Y Z OCCUPANCY ISO(B) Co 0.50000 0.00000 0.00000 0.500 0.640 Ni 0.50000 0.00000 0.00000 0.500 0.640 Ni 0.12500 0.12500 0.12500 1.000 0.370 S 0.25910 0.25910 0.25910 1.000 0.280 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 8 +/- 8 +/- 8 MAX. ABS. INTENSITY / VOLUME**2: 72.29855076 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 16.30 13.99 5.4389 1 1 1 26.77 31.23 3.3306 2 2 0 31.50 100.00 2.8404 3 1 1 38.21 45.65 2.3551 4 0 0 47.27 10.97 1.9229 4 2 2 50.33 4.32 1.8130 3 3 3 50.33 39.28 1.8130 5 1 1 55.15 78.27 1.6653 4 4 0 57.91 1.90 1.5923 5 3 1 62.34 3.90 1.4895 6 2 0 64.91 10.26 1.4366 5 3 3 69.08 7.92 1.3597 4 4 4 71.52 1.96 1.3191 5 5 1 75.53 5.50 1.2589 6 4 2 77.89 5.56 1.2264 7 3 1 77.89 8.68 1.2264 5 5 3 81.79 10.33 1.1775 8 0 0 87.96 1.59 1.1102 8 2 2 87.96 1.17 1.1102 6 6 0 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.