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DOE OSTI · 1673067

Materials Data on ZrTaTe4 by Materials Project

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Abstract

ZrTe2TaTe2 is trigonal omega-derived structured and crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of one TaTe2 sheet oriented in the (0, 0, 1) direction and one ZrTe2 sheet oriented in the (0, 0, 1) direction. In the TaTe2 sheet, Ta5+ is bonded to six equivalent Te2- atoms to form edge-sharing TaTe6 octahedra. All Ta–Te bond lengths are 2.83 Å. Te2- is bonded in a 3-coordinate geometry to three equivalent Ta5+ atoms. In the ZrTe2 sheet, Zr3+ is bonded to six equivalent Te2- atoms to form edge-sharing ZrTe6 octahedra. All Zr–Te bond lengths are 2.90 Å. Te2- is bonded in a 3-coordinate geometry to three equivalent Zr3+ atoms.

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36 MATERIALS SCIENCEcrystal structureTa-Te-ZrZrTaTe4

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2020-04-29. Materials Data on ZrTaTe4 by Materials Project. https://doi.org/10.17188/1673067

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