Laurite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R110120 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 _database_code_amcsd 0010195 CELL PARAMETERS: 5.6090 5.6090 5.6090 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 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: 116.7838980 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 27.54 80.33 3.2384 1 1 1 31.91 100.00 2.8045 2 0 0 35.80 19.17 2.5084 2 1 0 39.35 16.53 2.2899 2 1 1 45.75 59.27 1.9831 2 2 0 54.24 93.31 1.6912 3 1 1 56.86 19.34 1.6192 2 2 2 59.41 6.51 1.5557 3 0 2 61.90 6.65 1.4991 3 2 1 61.90 1.67 1.4991 3 1 2 66.70 1.62 1.4023 4 0 0 73.61 19.95 1.2868 3 3 1 75.86 9.67 1.2542 4 0 2 75.86 9.67 1.2542 4 2 0 78.08 2.88 1.2240 4 2 1 80.28 1.39 1.1958 3 3 2 84.65 17.29 1.1449 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.