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DOE OSTI · 1190925

Materials Data on TaTe5Pt by Materials Project

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Abstract

TaPtTe5 crystallizes in the orthorhombic Cmcm space group. The structure is two-dimensional and consists of two TaPtTe5 sheets oriented in the (0, 1, 0) direction. Ta5+ is bonded in a 8-coordinate geometry to eight Te2- atoms. There are a spread of Ta–Te bond distances ranging from 2.87–2.94 Å. Pt5+ is bonded to six Te2- atoms to form edge-sharing PtTe6 octahedra. All Pt–Te bond lengths are 2.72 Å. There are three inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a distorted L-shaped geometry to two equivalent Ta5+ atoms. In the second Te2- site, Te2- is bonded in a 3-coordinate geometry to one Ta5+ and two equivalent Pt5+ atoms. In the third Te2- site, Te2- is bonded in a 3-coordinate geometry to two equivalent Ta5+ and one Pt5+ atom.

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36 MATERIALS SCIENCEcrystal structurePt-Ta-TeTaTe5Pt

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2020-07-14. Materials Data on TaTe5Pt by Materials Project. https://doi.org/10.17188/1190925

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