BaTiO3 Shirane G, Danner H, Pepinsky R Physical Review 105 (1957) 856-860 Neutron diffraction study of orthorhombic BaTiO3 Locality: synthetic Note: tetragonal structure _database_code_amcsd 0018582 CELL PARAMETERS: 3.9860 3.9860 4.0260 90.000 90.000 90.000 SPACE GROUP: P4mm X-RAY WAVELENGTH: 1.541838 Cell Volume: 63.966 Density (g/cm3): 6.053 MAX. ABS. INTENSITY / VOLUME**2: 99.05257529 RIR: 5.329 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 22.08 100.00 4.0260 0 0 1 1 22.30 27.03 3.9860 1 0 0 4 31.59 87.01 2.8326 1 0 1 4 31.75 70.06 2.8185 1 1 0 4 39.01 57.02 2.3089 1 1 1 4 45.04 2.13 2.0130 0 0 2 1 45.51 45.07 1.9930 2 0 0 4 50.81 32.75 1.7969 1 0 2 4 51.14 31.37 1.7861 2 0 1 4 51.25 5.48 1.7826 2 1 0 8 56.15 13.94 1.6381 1 1 2 4 56.45 28.15 1.6300 2 1 1 8 65.96 2.44 1.4163 2 0 2 4 66.33 11.20 1.4093 2 2 0 4 70.12 2.69 1.3420 0 0 3 1 70.57 20.52 1.3345 2 1 2 8 70.84 9.30 1.3301 2 2 1 4 74.62 4.27 1.2719 1 0 3 4 75.32 5.11 1.2617 3 0 1 4 75.41 8.13 1.2605 3 1 0 8 79.03 6.83 1.2117 1 1 3 4 79.72 9.42 1.2029 3 1 1 8 83.79 1.12 1.1545 2 2 2 4 87.66 5.07 1.1132 2 0 3 4 88.09 5.02 1.1089 3 0 2 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.