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All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

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.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Materials Data on MgCu2TeO12 by Materials Project

MgO6Cu2TeO6 crystallizes in the trigonal P-31m space group. The structure is two-dimensional and consists of one Cu2TeO6 sheet oriented in the (0, 0, 1) direction and one MgO6 sheet oriented in the (0, 0, 1) direction. In the Cu2TeO6 sheet, Cu is bonded to six equivalent O atoms to form CuO6 octahedra that share edges with three equivalent CuO6 octahedra and edges with three equivalent TeO6 octahedra. All Cu–O bond lengths are 2.08 Å. Te is bonded to six equivalent O atoms to form TeO6 octahedra that share edges with six equivalent CuO6 octahedra. All Te–O bond lengths are 1.97 Å. O is bonded in a distorted T-shaped geometry to two equivalent Cu and one Te atom. In the MgO6 sheet, Mg is bonded in a hexagonal planar geometry to six equivalent O atoms. All Mg–O bond lengths are 2.30 Å. O is bonded in a bent 120 degrees geometry to one Mg and one O atom. The O–O bond length is 1.29 Å.

36 MATERIALS SCIENCE↗