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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Mg8BRh4 by Materials Project

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.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mg3B2Rh5 by Materials Project

Mg3Rh5B2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a 11-coordinate geometry to ten Rh and one B atom. There are a spread of Mg–Rh bond distances ranging from 2.81–2.95 Å. The Mg–B bond length is 2.66 Å. In the second Mg site, Mg is bonded in a body-centered cubic geometry to eight equivalent Rh atoms. All Mg–Rh bond lengths are 2.66 Å. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a distorted body-centered cubic geometry to four equivalent Mg and four equivalent B atoms. All Rh–B bond lengths are 2.25 Å. In the second Rh site, Rh is bonded in a 8-coordinate geometry to six Mg and two equivalent B atoms. Both Rh–B bond lengths are 2.14 Å. B is bonded in a 7-coordinate geometry to one Mg and six Rh atoms.

36 MATERIALS SCIENCE↗