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DOE OSTI · 1355412

Materials Data on ThTe3 by Materials Project

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Abstract

ThTe3 crystallizes in the monoclinic P2_1/m space group. The structure is two-dimensional and consists of one ThTe3 sheet oriented in the (0, 0, 1) direction. Th4+ is bonded in a 8-coordinate geometry to eight Te+1.33- atoms. There are a spread of Th–Te bond distances ranging from 3.20–3.29 Å. There are three inequivalent Te+1.33- sites. In the first Te+1.33- site, Te+1.33- is bonded in a 2-coordinate geometry to two equivalent Th4+ atoms. In the second Te+1.33- site, Te+1.33- is bonded to four equivalent Th4+ atoms to form a mixture of distorted edge and corner-sharing TeTh4 trigonal pyramids. In the third Te+1.33- site, Te+1.33- is bonded in a 2-coordinate geometry to two equivalent Th4+ atoms.

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36 MATERIALS SCIENCEcrystal structureTe-ThThTe3

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2020-07-16. Materials Data on ThTe3 by Materials Project. https://doi.org/10.17188/1355412

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