Materials Data on Cu2TeO6 by Materials Project

Cu2TeO6 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Cu3+ is bonded in a distorted rectangular see-saw-like geometry to six O2- atoms. There are a spread of Cu–O bond distances ranging from 1.87–2.57 Å. Te6+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of Te–O bond distances ranging from 1.93–2.01 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted water-like geometry to two equivalent Cu3+ and one Te6+ atom. In the second O2- site, O2- is bonded in a distorted water-like geometry to two equivalent Cu3+ and one Te6+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Cu3+ and one Te6+ atom.