Materials Data on CrCdO4 by Materials Project

Abstract

CrCdO4 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Cr6+ is bonded to four O2- atoms to form CrO4 tetrahedra that share corners with six equivalent CdO6 octahedra. The corner-sharing octahedra tilt angles range from 44–53°. There is two shorter (1.64 Å) and two longer (1.70 Å) Cr–O bond length. Cd2+ is bonded to six O2- atoms to form CdO6 octahedra that share corners with six equivalent CrO4 tetrahedra and edges with two equivalent CdO6 octahedra. There are two shorter (2.30 Å) and four longer (2.33 Å) Cd–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one Cr6+ and two equivalent Cd2+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one Cr6+ and one Cd2+ atom.