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All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

Materials Data on CuTeO5 by Materials Project

CuTeO5 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. Cu is bonded to five O atoms to form distorted corner-sharing CuO5 trigonal bipyramids. There are a spread of Cu–O bond distances ranging from 1.92–2.21 Å. Te is bonded in a 5-coordinate geometry to five O atoms. There are a spread of Te–O bond distances ranging from 1.81–2.44 Å. There are five inequivalent O sites. In the first O site, O is bonded in a distorted trigonal planar geometry to one Cu, one Te, and one O atom. The O–O bond length is 1.34 Å. In the second O site, O is bonded in a distorted trigonal planar geometry to one Cu and two equivalent Te atoms. In the third O site, O is bonded in a bent 120 degrees geometry to one Cu and one Te atom. In the fourth O site, O is bonded in a distorted trigonal planar geometry to two equivalent Cu and one O atom. In the fifth O site, O is bonded in a single-bond geometry to one Te atom.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Materials Data on CuTeO5 by Materials Project

CuTeO5 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. Cu is bonded to five O atoms to form distorted CuO5 square pyramids that share a cornercorner with one TeO5 square pyramid and edges with two equivalent TeO5 square pyramids. There are a spread of Cu–O bond distances ranging from 1.88–2.31 Å. Te is bonded to five O atoms to form distorted TeO5 square pyramids that share a cornercorner with one CuO5 square pyramid, corners with two equivalent TeO5 square pyramids, and edges with two equivalent CuO5 square pyramids. There are a spread of Te–O bond distances ranging from 1.85–2.21 Å. There are five inequivalent O sites. In the first O site, O is bonded in a distorted trigonal planar geometry to one Cu, one Te, and one O atom. The O–O bond length is 1.36 Å. In the second O site, O is bonded in a distorted trigonal planar geometry to one Cu and two equivalent Te atoms. In the third O site, O is bonded in a water-like geometry to one Cu and one Te atom. In the fourth O site, O is bonded in a distorted bent 120 degrees geometry to one Cu and one O atom. In the fifth O site, O is bonded in an L-shaped geometry to one Cu and one Te atom.

36 MATERIALS SCIENCE↗