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DOE OSTI · 1274552

Materials Data on Mg8BRh4 by Materials Project

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Abstract

Mg8Rh4B crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a 2-coordinate geometry to four equivalent Rh atoms. There are two shorter (2.73 Å) and two longer (3.01 Å) Mg–Rh bond lengths. In the second Mg site, Mg is bonded to six equivalent Rh and two equivalent B atoms to form face-sharing MgB2Rh6 hexagonal bipyramids. All Mg–Rh bond lengths are 2.75 Å. Both Mg–B bond lengths are 2.65 Å. Rh is bonded in a 10-coordinate geometry to nine Mg and one B atom. The Rh–B bond length is 2.03 Å. B is bonded in a distorted body-centered cubic geometry to four equivalent Mg and four equivalent Rh atoms.

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36 MATERIALS SCIENCEB-Mg-Rhcrystal structureMg8BRh4

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2020-05-03. Materials Data on Mg8BRh4 by Materials Project. https://doi.org/10.17188/1274552

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36 MATERIALS SCIENCE↗