Materials Data on Na2CeO3 by Materials Project

Abstract

Na2CeO3 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Na1+ is bonded in a square co-planar geometry to four O2- atoms. There are two shorter (2.14 Å) and two longer (2.34 Å) Na–O bond lengths. Ce4+ is bonded to six O2- atoms to form corner-sharing CeO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are four shorter (2.14 Å) and two longer (2.34 Å) Ce–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a square co-planar geometry to two equivalent Na1+ and two equivalent Ce4+ atoms. In the second O2- site, O2- is bonded to four equivalent Na1+ and two equivalent Ce4+ atoms to form corner-sharing ONa4Ce2 octahedra. The corner-sharing octahedral tilt angles are 0°.