Materials Data on CdAgO2 by Materials Project

Abstract

AgCdO2 crystallizes in the orthorhombic Pmma space group. The structure is three-dimensional. Ag2+ is bonded to six O2- atoms to form distorted AgO6 octahedra that share corners with six equivalent AgO6 octahedra, edges with four equivalent 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 2.14–2.80 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 equivalent AgO6 octahedra. The corner-sharing octahedra tilt angles range from 0–25°. There are a spread of Cd–O bond distances ranging from 2.32–2.47 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 6-coordinate geometry to four equivalent Ag2+ and two equivalent Cd2+ atoms. In the second O2- site, O2- is bonded to two equivalent Ag2+ and four equivalent Cd2+ atoms to form a mixture of corner and edge-sharing OCd4Ag2 octahedra. The corner-sharing octahedra tilt angles range from 0–1°.