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DOE OSTI · 1739215

Materials Data on TbUTe3 by Materials Project

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Abstract

UTbTe3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. U3+ is bonded in a 8-coordinate geometry to eight Te2- atoms. There are a spread of U–Te bond distances ranging from 3.16–3.73 Å. Tb3+ is bonded to seven Te2- atoms to form a mixture of distorted edge and corner-sharing TbTe7 pentagonal bipyramids. There are a spread of Tb–Te bond distances ranging from 3.10–3.21 Å. There are three inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 5-coordinate geometry to three equivalent U3+ and two equivalent Tb3+ atoms. In the second Te2- site, Te2- is bonded in a 4-coordinate geometry to three equivalent U3+ and two equivalent Tb3+ atoms. In the third Te2- site, Te2- is bonded to two equivalent U3+ and three equivalent Tb3+ atoms to form distorted edge-sharing TeTb3U2 square pyramids.

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36 MATERIALS SCIENCEcrystal structureTb-Te-UTbUTe3

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2020-05-02. Materials Data on TbUTe3 by Materials Project. https://doi.org/10.17188/1739215

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