Materials Data on Pu2O3 by Materials Project

Abstract

Pu2O3 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Pu3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Pu–O bond distances ranging from 2.28–2.61 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to six equivalent Pu3+ atoms to form OPu6 octahedra that share corners with twelve equivalent OPu4 tetrahedra, edges with six equivalent OPu6 octahedra, and edges with six equivalent OPu4 tetrahedra. In the second O2- site, O2- is bonded to four equivalent Pu3+ atoms to form OPu4 tetrahedra that share corners with six equivalent OPu6 octahedra, corners with six equivalent OPu4 tetrahedra, edges with three equivalent OPu6 octahedra, and edges with three equivalent OPu4 tetrahedra. The corner-sharing octahedra tilt angles range from 16–56°.