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DOE OSTI · 1313116

Materials Data on TaCu3Te4 by Materials Project

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Abstract

TaCu3Te4 is Sulvanite structured and crystallizes in the cubic P-43m space group. The structure is three-dimensional. Ta5+ is bonded to four equivalent Te2- atoms to form TaTe4 tetrahedra that share edges with six equivalent CuTe4 tetrahedra. All Ta–Te bond lengths are 2.67 Å. Cu1+ is bonded to four equivalent Te2- atoms to form CuTe4 tetrahedra that share corners with eight equivalent CuTe4 tetrahedra and edges with two equivalent TaTe4 tetrahedra. All Cu–Te bond lengths are 2.62 Å. Te2- is bonded to one Ta5+ and three equivalent Cu1+ atoms to form a mixture of distorted corner and edge-sharing TeTaCu3 tetrahedra.

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36 MATERIALS SCIENCEcrystal structureCu-Ta-TeTaCu3Te4

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2020-07-16. Materials Data on TaCu3Te4 by Materials Project. https://doi.org/10.17188/1313116

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