Daubreelite Lo Presti L, Destro R Journal of Chemical Physics 128 (2008) 044710-9 Experimental and theoretical charge density distribution of the colossal magnetoresistive transition metal sulfide FeCr2S4 T = 23 K Locality: synthetic _database_code_amcsd 0017554 CELL PARAMETERS: 9.9763 9.9763 9.9763 90.000 90.000 90.000 SPACE GROUP: Fd-3m X-RAY WAVELENGTH: 1.541838 Cell Volume: 992.907 Density (g/cm3): 3.854 MAX. ABS. INTENSITY / VOLUME**2: 46.42178874 RIR: 3.922 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 15.38 13.09 5.7598 1 1 1 8 25.25 33.95 3.5272 2 2 0 12 29.70 100.00 3.0080 3 1 1 24 31.05 1.77 2.8799 2 2 2 8 36.01 53.57 2.4941 4 0 0 6 44.49 12.04 2.0364 4 2 2 24 47.35 44.23 1.9199 5 1 1 24 47.35 3.81 1.9199 3 3 3 8 51.84 91.23 1.7636 4 4 0 12 54.41 1.89 1.6863 5 3 1 48 58.51 4.29 1.5774 6 2 0 24 60.89 10.99 1.5214 5 3 3 24 64.74 9.59 1.4400 4 4 4 8 66.99 2.49 1.3970 5 5 1 24 70.66 6.51 1.3331 6 4 2 48 72.82 10.09 1.2988 5 5 3 24 72.82 5.25 1.2988 7 3 1 48 76.37 12.20 1.2470 8 0 0 6 81.95 1.82 1.1757 8 2 2 24 81.95 1.42 1.1757 6 6 0 12 84.01 3.52 1.1520 5 5 5 8 84.01 7.32 1.1520 7 5 1 48 87.45 11.41 1.1154 8 4 0 24 89.50 1.14 1.0950 9 1 1 24 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.