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DOE OSTI · 1188145

Materials Data on HfTe5 by Materials Project

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Abstract

HfTe5 crystallizes in the orthorhombic Cmcm space group. The structure is one-dimensional and consists of four HfTe5 ribbons oriented in the (1, 0, 0) direction. Hf4+ is bonded in a 8-coordinate geometry to eight Te+0.80- atoms. There are a spread of Hf–Te bond distances ranging from 2.96–3.00 Å. There are three inequivalent Te+0.80- sites. In the first Te+0.80- site, Te+0.80- is bonded in a distorted L-shaped geometry to two equivalent Hf4+ atoms. In the second Te+0.80- site, Te+0.80- is bonded in a distorted single-bond geometry to one Hf4+ atom. In the third Te+0.80- site, Te+0.80- is bonded in a distorted L-shaped geometry to two equivalent Hf4+ atoms.

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36 MATERIALS SCIENCEcrystal structureHf-TeHfTe5

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2020-07-15. Materials Data on HfTe5 by Materials Project. https://doi.org/10.17188/1188145

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