Materials Data on AgSnO3 by Materials Project

Abstract

AgSnO3 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are two inequivalent Ag2+ sites. In the first Ag2+ site, Ag2+ is bonded in a square co-planar geometry to four O2- atoms. There are two shorter (2.05 Å) and two longer (2.06 Å) Ag–O bond lengths. In the second Ag2+ site, Ag2+ is bonded to eight O2- atoms to form distorted AgO8 hexagonal bipyramids that share edges with two equivalent AgO8 hexagonal bipyramids and edges with eight equivalent SnO6 octahedra. There are a spread of Ag–O bond distances ranging from 2.49–2.69 Å. Sn4+ is bonded to six O2- atoms to form SnO6 octahedra that share corners with two equivalent SnO6 octahedra, edges with four equivalent AgO8 hexagonal bipyramids, and edges with two equivalent SnO6 octahedra. The corner-sharing octahedral tilt angles are 47°. There are two shorter (2.06 Å) and four longer (2.13 Å) Sn–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two Ag2+ and two equivalent Sn4+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Ag2+ and two equivalent Sn4+ atoms. In the third O2- site, O2- is bonded in a 4-coordinate geometry to two Ag2+ and two equivalent Sn4+ atoms.