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DOE OSTI · 1685740

Materials Data on Tb7RhBr12 by Materials Project

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Abstract

Tb7RhBr12 is trigonal omega-derived structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. there are two inequivalent Tb sites. In the first Tb site, Tb is bonded to one Rh and five Br atoms to form a mixture of corner and edge-sharing TbRhBr5 octahedra. The corner-sharing octahedra tilt angles range from 0–3°. The Tb–Rh bond length is 2.68 Å. There are a spread of Tb–Br bond distances ranging from 2.91–3.14 Å. In the second Tb site, Tb is bonded to six equivalent Br atoms to form edge-sharing TbBr6 octahedra. All Tb–Br bond lengths are 2.83 Å. Rh is bonded in an octahedral geometry to six equivalent Tb atoms. There are two inequivalent Br sites. In the first Br site, Br is bonded in a T-shaped geometry to three equivalent Tb atoms. In the second Br site, Br is bonded in a distorted T-shaped geometry to three Tb atoms.

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36 MATERIALS SCIENCEBr-Rh-Tbcrystal structureTb7RhBr12

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2020-05-02. Materials Data on Tb7RhBr12 by Materials Project. https://doi.org/10.17188/1685740

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