Materials Data on CuTeO4 by Materials Project

Abstract

CuTeO4 crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Cu2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are four shorter (2.00 Å) and two longer (2.51 Å) Cu–O bond lengths. Te6+ is bonded to six O2- atoms to form edge-sharing TeO6 octahedra. There is two shorter (1.95 Å) and four longer (2.01 Å) Te–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal non-coplanar geometry to two equivalent Cu2+ and one Te6+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one Cu2+ and two equivalent Te6+ atoms.