Materials Data on CdSnO3 by Materials Project

Abstract

CdSnO3 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Cd2+ is bonded to five O2- atoms to form distorted CdO5 square pyramids that share corners with four equivalent SnO6 octahedra, corners with two equivalent CdO5 square pyramids, edges with two equivalent SnO6 octahedra, and edges with two equivalent CdO5 square pyramids. The corner-sharing octahedra tilt angles range from 25–54°. There are a spread of Cd–O bond distances ranging from 2.17–2.39 Å. Sn4+ is bonded to six O2- atoms to form distorted SnO6 octahedra that share corners with four equivalent CdO5 square pyramids, edges with four equivalent SnO6 octahedra, and edges with two equivalent CdO5 square pyramids. There are a spread of Sn–O bond distances ranging from 2.04–2.23 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to one Cd2+ and two equivalent Sn4+ atoms. In the second O2- site, O2- is bonded to one Cd2+ and three equivalent Sn4+ atoms to form a mixture of distorted edge and corner-sharing OCdSn3 trigonal pyramids. In the third O2- site, O2- is bonded to three equivalent Cd2+ and one Sn4+ atom to form a mixture of distorted edge and corner-sharing OCd3Sn trigonal pyramids.