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DOE OSTI · 1266363

Materials Data on Sc2MnB2Rh5 by Materials Project

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Abstract

Sc2MnRh5B2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Sc is bonded in a 11-coordinate geometry to ten Rh and three equivalent B atoms. There are a spread of Sc–Rh bond distances ranging from 2.80–2.95 Å. There are one shorter (2.65 Å) and two longer (2.87 Å) Sc–B bond lengths. Mn is bonded in a body-centered cubic geometry to eight equivalent Rh atoms. All Mn–Rh bond lengths are 2.65 Å. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 8-coordinate geometry to four equivalent Sc, two equivalent Mn, and two equivalent B atoms. Both Rh–B bond lengths are 2.19 Å. In the second Rh site, Rh is bonded in a distorted body-centered cubic geometry to four equivalent Sc and four equivalent B atoms. All Rh–B bond lengths are 2.26 Å. B is bonded in a 9-coordinate geometry to three equivalent Sc and six Rh atoms.

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36 MATERIALS SCIENCEB-Mn-Rh-Sccrystal structureSc2MnB2Rh5

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2020-07-18. Materials Data on Sc2MnB2Rh5 by Materials Project. https://doi.org/10.17188/1266363

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36 MATERIALS SCIENCE↗