Materials Data on VCu3Te3Se by Materials Project

Abstract

VCu3Te3Se crystallizes in the trigonal R3m space group. The structure is three-dimensional. V5+ is bonded to three equivalent Te2- and one Se2- atom to form VTe3Se tetrahedra that share edges with six equivalent CuTe3Se tetrahedra. All V–Te bond lengths are 2.58 Å. The V–Se bond length is 2.37 Å. Cu1+ is bonded to three equivalent Te2- and one Se2- atom to form CuTe3Se tetrahedra that share corners with eight equivalent CuTe3Se tetrahedra and edges with two equivalent VTe3Se tetrahedra. There are two shorter (2.56 Å) and one longer (2.57 Å) Cu–Te bond lengths. The Cu–Se bond length is 2.42 Å. Te2- is bonded to one V5+ and three equivalent Cu1+ atoms to form distorted TeVCu3 tetrahedra that share corners with two equivalent SeVCu3 tetrahedra, corners with four equivalent TeVCu3 tetrahedra, an edgeedge with one SeVCu3 tetrahedra, and edges with two equivalent TeVCu3 tetrahedra. Se2- is bonded to one V5+ and three equivalent Cu1+ atoms to form distorted SeVCu3 tetrahedra that share corners with six equivalent TeVCu3 tetrahedra and edges with three equivalent TeVCu3 tetrahedra.