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DOE OSTI · 1678498

Materials Data on Tb7CoI12 by Materials Project

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Abstract

Tb7CoI12 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 six equivalent I atoms to form edge-sharing TbI6 octahedra. All Tb–I bond lengths are 3.06 Å. In the second Tb site, Tb is bonded to one Co and five I atoms to form distorted TbCoI5 octahedra that share corners with three equivalent TbCoI5 octahedra and edges with six TbI6 octahedra. The corner-sharing octahedra tilt angles range from 0–9°. The Tb–Co bond length is 2.63 Å. There are a spread of Tb–I bond distances ranging from 3.12–3.49 Å. Co is bonded in an octahedral geometry to six equivalent Tb atoms. There are two inequivalent I sites. In the first I site, I is bonded in a distorted T-shaped geometry to three Tb atoms. In the second I site, I is bonded in a distorted T-shaped geometry to three equivalent Tb atoms.

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36 MATERIALS SCIENCECo-I-Tbcrystal structureTb7CoI12

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2020-05-03. Materials Data on Tb7CoI12 by Materials Project. https://doi.org/10.17188/1678498

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