Materials Data on SrUO4 by Materials Project

Abstract

SrUO4 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Sr2+ is bonded to six equivalent O2- atoms to form SrO6 octahedra that share corners with six equivalent UO8 hexagonal bipyramids and edges with six equivalent SrO6 octahedra. All Sr–O bond lengths are 2.55 Å. U6+ is bonded to eight O2- atoms to form distorted UO8 hexagonal bipyramids that share corners with six equivalent SrO6 octahedra and edges with six equivalent UO8 hexagonal bipyramids. The corner-sharing octahedra tilt angles range from 62–63°. There are a spread of U–O bond distances ranging from 2.02–2.32 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to three equivalent Sr2+ and one U6+ atom to form a mixture of distorted edge and corner-sharing OSr3U tetrahedra. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to three equivalent U6+ atoms.