Materials Data on La2Ag2O5 by Materials Project

Abstract

La2Ag2O5 is Aluminum carbonitride-like structured and crystallizes in the orthorhombic Ima2 space group. The structure is three-dimensional. La3+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of La–O bond distances ranging from 2.25–2.57 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 30°. There are a spread of Ag–O bond distances ranging from 2.16–2.21 Å. In the second Ag2+ site, Ag2+ is bonded to four O2- atoms to form distorted AgO4 tetrahedra that share corners with two equivalent AgO6 octahedra and corners with two equivalent AgO4 tetrahedra. The corner-sharing octahedral tilt angles are 47°. There are a spread of Ag–O bond distances ranging from 2.25–2.53 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent La3+ and two equivalent Ag2+ atoms. In the second O2- site, O2- is bonded to two equivalent La3+ and two Ag2+ atoms to form corner-sharing OLa2Ag2 tetrahedra. In the third O2- site, O2- is bonded to two equivalent La3+ and two equivalent Ag2+ atoms to form distorted corner-sharing OLa2Ag2 tetrahedra.