Space group and lattice constants for barium cerate and minor corrections to the crystal structures of BaCe0.9Y0.1O2.95 and BaCe0.9Gd0.1O2.95
Abstract
The lattice constants and space group of undoped and lightly rare-earth doped BaCeO3 have been investigated using high-resolution neutron powder diffraction. The space group determined as Pmcn is unchanged from our earlier investigations; however, the lattice constants b and c have had to be reversed to account for additional reflections observed in the high-resolution diffraction pattern. The crystal structures of BaCe0.9Y0.1O2.95 and BaCe0.9Gd0.1O2.95 have been re-refined in the light of this observation.
- This article is part of the themed collection: Computer Modelling Studies of Condensed Matter