Materials Data on Sm2Ag2O5 by Materials Project

Abstract

Sm2Ag2O5 is Aluminum carbonitride-like structured and crystallizes in the orthorhombic Ima2 space group. The structure is three-dimensional. Sm3+ is bonded in a distorted pentagonal planar geometry to five O2- atoms. There are a spread of Sm–O bond distances ranging from 2.20–2.44 Å. There are two inequivalent Ag2+ sites. In the first Ag2+ site, Ag2+ is bonded to six O2- atoms to form AgO6 octahedra that share corners with four equivalent AgO6 octahedra and corners with two equivalent AgO4 tetrahedra. The corner-sharing octahedral tilt angles are 39°. There are a spread of Ag–O bond distances ranging from 2.17–2.24 Å. In the second Ag2+ site, Ag2+ is bonded to four O2- atoms to form AgO4 tetrahedra that share corners with two equivalent AgO6 octahedra and corners with two equivalent AgO4 tetrahedra. The corner-sharing octahedral tilt angles are 51°. There are a spread of Ag–O bond distances ranging from 2.26–2.46 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Sm3+ and two equivalent Ag2+ atoms to form a mixture of distorted corner and edge-sharing OSm2Ag2 tetrahedra. In the second O2- site, O2- is bonded to two equivalent Sm3+ and two Ag2+ atoms to form a mixture of distorted corner and edge-sharing OSm2Ag2 tetrahedra. In the third O2- site, O2- is bonded to two equivalent Sm3+ and two equivalent Ag2+ atoms to form distorted corner-sharing OSm2Ag2 tetrahedra.