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DOE OSTI · 1715316

Materials Data on TbTc2 by Materials Project

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Abstract

TbTc2 is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Tb4+ is bonded in a 12-coordinate geometry to twelve Tc2- atoms. There are a spread of Tb–Tc bond distances ranging from 3.16–3.18 Å. There are two inequivalent Tc2- sites. In the first Tc2- site, Tc2- is bonded to six equivalent Tb4+ and six equivalent Tc2- atoms to form a mixture of corner, edge, and face-sharing TcTb6Tc6 cuboctahedra. All Tc–Tc bond lengths are 2.75 Å. In the second Tc2- site, Tc2- is bonded to six equivalent Tb4+ and six Tc2- atoms to form a mixture of corner, edge, and face-sharing TcTb6Tc6 cuboctahedra. There are two shorter (2.62 Å) and two longer (2.77 Å) Tc–Tc bond lengths.

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36 MATERIALS SCIENCEcrystal structureTb-TcTbTc2

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2020-05-03. Materials Data on TbTc2 by Materials Project. https://doi.org/10.17188/1715316

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