Barioperovskite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R110180 Xiao C J, Jin C Q, Wang X H Materials Chemistry and Physics 111 (2008) 209-212 Crystal structure of dense nanocrystalline BaTiO3 ceramics Locality: synthetic Note: phase O (orthorhombic) _database_code_amcsd 0018580 CELL PARAMETERS: 4.0310 5.6470 5.6490 90.000 90.000 90.000 SPACE GROUP: Amm2 ATOM X Y Z OCCUPANCY ISO(B) Ba 0.00000 0.00000 0.00000 1.000 13.896 Ti 0.50000 0.00000 0.51000 1.000 1.263 O 0.00000 0.50000 0.49000 1.000 3.553 O 0.50000 0.75250 0.73960 1.000 2.211 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 3 +/- 5 +/- 5 MAX. ABS. INTENSITY / VOLUME**2: 124.5920054 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 22.05 4.54 4.0310 1 0 0 22.26 31.39 3.9937 0 1 1 31.53 100.00 2.8371 1 1 1 31.68 15.03 2.8245 0 0 2 31.69 14.99 2.8235 0 2 0 38.94 6.06 2.3132 1 0 2 38.94 5.90 2.3126 1 2 0 44.98 8.17 2.0155 2 0 0 45.42 15.43 1.9969 0 2 2 56.05 1.80 1.6406 2 0 2 56.06 1.79 1.6404 2 2 0 56.33 6.27 1.6331 1 1 3 56.35 6.35 1.6327 1 3 1 65.84 4.18 1.4185 2 2 2 66.20 1.02 1.4117 0 4 0 74.51 1.26 1.2735 3 1 1 75.16 1.19 1.2641 1 3 3 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.