Materials Data on CdAgO2 by Materials Project

Abstract

AgCdO2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Ag2+ sites. In the first Ag2+ site, Ag2+ is bonded to six O2- atoms to form distorted AgO6 octahedra that share corners with six equivalent AgO6 octahedra, edges with four AgO6 octahedra, and edges with eight equivalent CdO6 octahedra. The corner-sharing octahedra tilt angles range from 0–16°. There are a spread of Ag–O bond distances ranging from 2.10–2.82 Å. In the second Ag2+ site, Ag2+ is bonded to six O2- atoms to form AgO6 octahedra that share corners with six equivalent AgO6 octahedra, edges with four AgO6 octahedra, and edges with eight equivalent CdO6 octahedra. The corner-sharing octahedra tilt angles range from 0–16°. There are a spread of Ag–O bond distances ranging from 2.16–2.70 Å. Cd2+ is bonded to six O2- atoms to form CdO6 octahedra that share corners with six equivalent CdO6 octahedra, edges with four equivalent CdO6 octahedra, and edges with eight AgO6 octahedra. The corner-sharing octahedra tilt angles range from 9–22°. There are a spread of Cd–O bond distances ranging from 2.37–2.48 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two Ag2+ and four equivalent Cd2+ atoms to form a mixture of edge and corner-sharing OCd4Ag2 octahedra. The corner-sharing octahedral tilt angles are 0°. In the second O2- site, O2- is bonded in a 6-coordinate geometry to four Ag2+ and two equivalent Cd2+ atoms.