Cattierite Nowack E, Schwarzenbach D, Hahn T Acta Crystallographica B47 (1991) 650-659 Charge densities in CoS2 and NiS2 (pyrite structure) Note: multipole model Locality: synthetic _database_code_amcsd 0009852 CELL PARAMETERS: 5.5385 5.5385 5.5385 90.000 90.000 90.000 SPACE GROUP: Pa3 X-RAY WAVELENGTH: 1.541838 Cell Volume: 169.893 Density (g/cm3): 4.811 MAX. ABS. INTENSITY / VOLUME**2: 51.04301735 RIR: 3.455 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 27.90 34.76 3.1977 1 1 1 8 32.33 100.00 2.7692 2 0 0 6 36.27 43.65 2.4769 2 1 0 12 39.87 38.15 2.2611 2 1 1 24 46.37 50.99 1.9582 2 2 0 12 49.36 1.10 1.8462 2 2 1 24 54.99 90.57 1.6699 3 1 1 24 57.66 15.57 1.5988 2 2 2 8 60.25 15.40 1.5361 3 0 2 12 62.77 3.36 1.4802 3 1 2 24 62.77 15.99 1.4802 3 2 1 24 74.71 12.38 1.2706 3 3 1 24 77.00 5.70 1.2384 4 2 0 12 77.00 5.70 1.2384 4 0 2 12 79.27 6.21 1.2086 4 2 1 24 81.52 2.94 1.1808 3 3 2 24 85.98 11.54 1.1305 4 2 2 24 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.