Materials Data on NaUO3 by Materials Project
NaUO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Na1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Na–O bond distances ranging from 2.43–2.96 Å. U5+ is bonded to six O2- atoms to form corner-sharing UO6 octahedra. The corner-sharing octahedral tilt angles are 31°. There are four shorter (2.16 Å) and two longer (2.17 Å) U–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Na1+ and two equivalent U5+ atoms. In the second O2- site, O2- is bonded to two equivalent Na1+ and two equivalent U5+ atoms to form distorted corner-sharing ONa2U2 tetrahedra.