Laurite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern for R060309 Lutz H D, Muller B, Schmidt T, Stingl T Acta Crystallographica C46 (1990) 2003-2005 Structure refinement of pyrite-type ruthenium disulfide, RuS2, and ruthenium diselenide, RuSe2 CELL PARAMETERS: 5.6060 5.6060 5.6060 90.000 90.000 90.000 SPACE GROUP: Pa3 ATOM X Y Z OCCUPANCY ISO(B) Ru 0.00000 0.00000 0.00000 1.000 0.178 S 0.38831 0.38831 0.38831 1.000 0.241 S 0.38850 0.38850 0.38850 1.000 1.000 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 5 +/- 5 +/- 5 MAX. ABS. INTENSITY / VOLUME**2: 116.9818651 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 27.56 80.35 3.2366 1 1 1 31.93 100.00 2.8030 2 0 0 35.82 19.17 2.5071 2 1 0 39.37 16.53 2.2886 2 1 1 45.78 59.26 1.9820 2 2 0 54.27 93.27 1.6903 3 1 1 56.90 19.33 1.6183 2 2 2 59.45 6.51 1.5548 3 0 2 61.93 6.65 1.4983 3 2 1 61.93 1.67 1.4983 3 1 2 66.74 1.62 1.4015 4 0 0 73.66 19.94 1.2861 3 3 1 75.90 9.67 1.2535 4 0 2 75.90 9.67 1.2535 4 2 0 78.13 2.88 1.2233 4 2 1 80.33 1.39 1.1952 3 3 2 84.71 17.29 1.1443 4 2 2 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.