Fe2Si Errandonea D, Santamaria-Perez D, Vegas A, Nuss J, Jansen M, Rodriguez-Hernandez P, Munoz A Physical Review B - Condensed Matter 77 (2008) 094113-1-094113-12 Structural stability of Fe5Si3 and Ni2Si studied by high-pressure X-ray diffraction and ab initio total-energy calculations Locality: synthetic _database_code_amcsd 0019682 CELL PARAMETERS: 4.0520 4.0520 5.0850 90.000 90.000 120.000 SPACE GROUP: P-3m1 X-RAY WAVELENGTH: 1.541838 Cell Volume: 72.304 Density (g/cm3): 6.419 MAX. ABS. INTENSITY / VOLUME**2: 105.3847702 RIR: 5.346 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 25.38 5.03 3.5091 1 0 0 6 30.96 10.78 2.8882 0 1 1 6 30.96 6.93 2.8882 1 0 1 6 35.30 1.55 2.5425 0 0 2 2 43.98 24.01 2.0589 0 1 2 6 43.98 75.99 2.0589 1 0 2 6 44.73 94.93 2.0260 1 1 0 6 55.39 1.06 1.6586 0 2 1 6 55.39 1.64 1.6586 2 0 1 6 58.23 1.98 1.5845 1 1 2 12 60.68 1.28 1.5263 0 1 3 6 64.53 20.41 1.4441 0 2 2 6 64.53 6.36 1.4441 2 0 2 6 73.84 1.02 1.2834 1 2 1 12 74.66 3.77 1.2713 0 0 4 2 80.33 3.60 1.1952 0 1 4 6 81.93 5.56 1.1759 1 2 2 12 81.93 18.10 1.1759 2 1 2 12 82.46 11.76 1.1697 3 0 0 6 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.