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DOE OSTI · 1280169

Materials Data on TbH2Br by Materials Project

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Abstract

TbH2Br crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of three TbH2Br sheets oriented in the (0, 0, 1) direction. Tb3+ is bonded in a 10-coordinate geometry to seven H1- and three equivalent Br1- atoms. There are a spread of Tb–H bond distances ranging from 2.19–2.40 Å. All Tb–Br bond lengths are 2.92 Å. There are two inequivalent H1- sites. In the first H1- site, H1- is bonded in a trigonal planar geometry to three equivalent Tb3+ atoms. In the second H1- site, H1- is bonded to four equivalent Tb3+ atoms to form a mixture of corner and edge-sharing HTb4 tetrahedra. Br1- is bonded in a 3-coordinate geometry to three equivalent Tb3+ atoms.

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36 MATERIALS SCIENCEBr-H-Tbcrystal structureTbH2Br

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2020-07-16. Materials Data on TbH2Br by Materials Project. https://doi.org/10.17188/1280169

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