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DOE OSTI · 1202930

Materials Data on TaCoTe2 by Materials Project

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Abstract

TaCoTe2 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of one TaCoTe2 sheet oriented in the (0, 0, 1) direction. Ta3+ is bonded to five Te2- atoms to form a mixture of distorted edge and corner-sharing TaTe5 trigonal bipyramids. There are a spread of Ta–Te bond distances ranging from 2.82–2.95 Å. Co1+ is bonded in a rectangular see-saw-like geometry to four Te2- atoms. There are a spread of Co–Te bond distances ranging from 2.55–2.67 Å. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 5-coordinate geometry to three equivalent Ta3+ and two equivalent Co1+ atoms. In the second Te2- site, Te2- is bonded in a 4-coordinate geometry to two equivalent Ta3+ and two equivalent Co1+ atoms.

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36 MATERIALS SCIENCECo-Ta-Tecrystal structureTaCoTe2

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2020-05-02. Materials Data on TaCoTe2 by Materials Project. https://doi.org/10.17188/1202930

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