Materials Data on VCdCu3Se4 by Materials Project

Abstract

VCu3CdSe4 crystallizes in the cubic P-43m space group. The structure is three-dimensional. V3+ is bonded to four equivalent Se2- atoms to form VSe4 tetrahedra that share corners with four equivalent CdSe4 tetrahedra and edges with six equivalent CuSe4 tetrahedra. All V–Se bond lengths are 2.36 Å. Cu1+ is bonded to four equivalent Se2- atoms to form CuSe4 tetrahedra that share corners with four equivalent CdSe4 tetrahedra, corners with eight equivalent CuSe4 tetrahedra, and edges with two equivalent VSe4 tetrahedra. All Cu–Se bond lengths are 2.49 Å. Cd2+ is bonded to four equivalent Se2- atoms to form CdSe4 tetrahedra that share corners with four equivalent VSe4 tetrahedra and corners with twelve equivalent CuSe4 tetrahedra. All Cd–Se bond lengths are 2.72 Å. Se2- is bonded to one V3+, three equivalent Cu1+, and one Cd2+ atom to form a mixture of distorted edge and corner-sharing SeVCdCu3 trigonal bipyramids.