Materials Data on Cd2SnO4 by Materials Project

Abstract

Cd2SnO4 is Spinel-like structured and crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. there are two inequivalent Cd2+ sites. In the first Cd2+ site, Cd2+ is bonded to four O2- atoms to form CdO4 tetrahedra that share corners with six equivalent CdO6 octahedra and corners with six equivalent SnO6 octahedra. The corner-sharing octahedra tilt angles range from 54–63°. There are two shorter (2.21 Å) and two longer (2.29 Å) Cd–O bond lengths. In the second Cd2+ site, Cd2+ is bonded to six O2- atoms to form CdO6 octahedra that share corners with six equivalent CdO4 tetrahedra, edges with two equivalent CdO6 octahedra, and edges with four equivalent SnO6 octahedra. There are four shorter (2.29 Å) and two longer (2.41 Å) Cd–O bond lengths. Sn4+ is bonded to six O2- atoms to form SnO6 octahedra that share corners with six equivalent CdO4 tetrahedra, edges with two equivalent SnO6 octahedra, and edges with four equivalent CdO6 octahedra. There are two shorter (2.07 Å) and four longer (2.17 Å) Sn–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to two Cd2+ and two equivalent Sn4+ atoms. In the second O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to three Cd2+ and one Sn4+ atom.