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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Sc2FeB2RuRh4 by Materials Project

Sc2RuFeRh4B2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Sc is bonded in a 11-coordinate geometry to two equivalent Ru, eight equivalent Rh, and three equivalent B atoms. Both Sc–Ru bond lengths are 2.76 Å. There are four shorter (2.85 Å) and four longer (2.95 Å) Sc–Rh bond lengths. There are one shorter (2.69 Å) and two longer (2.82 Å) Sc–B bond lengths. Ru is bonded in a 8-coordinate geometry to four equivalent Sc and four equivalent B atoms. All Ru–B bond lengths are 2.22 Å. Fe is bonded in a body-centered cubic geometry to eight equivalent Rh atoms. All Fe–Rh bond lengths are 2.61 Å. Rh is bonded in a 8-coordinate geometry to four equivalent Sc, two equivalent Fe, and two equivalent B atoms. Both Rh–B bond lengths are 2.20 Å. B is bonded in a 9-coordinate geometry to three equivalent Sc, two equivalent Ru, and four equivalent Rh atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sc2FeB2Ru2Rh3 by Materials Project

Sc2Ru2FeRh3B2 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Sc is bonded in a 12-coordinate geometry to four equivalent Ru, six Rh, and three equivalent B atoms. There are two shorter (2.85 Å) and two longer (2.93 Å) Sc–Ru bond lengths. There are a spread of Sc–Rh bond distances ranging from 2.78–2.95 Å. There are a spread of Sc–B bond distances ranging from 2.63–2.93 Å. Ru is bonded in a 8-coordinate geometry to four equivalent Sc, two equivalent Fe, and two equivalent B atoms. Both Ru–Fe bond lengths are 2.61 Å. Both Ru–B bond lengths are 2.16 Å. Fe is bonded in a body-centered cubic geometry to four equivalent Ru and four equivalent Rh atoms. All Fe–Rh bond lengths are 2.61 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 Fe, and two equivalent B atoms. Both Rh–B bond lengths are 2.23 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, two equivalent Ru, and four Rh atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sc2FeB2Ru4Rh by Materials Project

Sc2Ru4FeRhB2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Sc is bonded in a 11-coordinate geometry to eight equivalent Ru, two equivalent Rh, and three equivalent B atoms. There are four shorter (2.83 Å) and four longer (2.94 Å) Sc–Ru bond lengths. Both Sc–Rh bond lengths are 2.77 Å. There are one shorter (2.60 Å) and two longer (2.87 Å) Sc–B bond lengths. Ru is bonded in a 8-coordinate geometry to four equivalent Sc, two equivalent Fe, and two equivalent B atoms. Both Ru–Fe bond lengths are 2.59 Å. Both Ru–B bond lengths are 2.19 Å. Fe is bonded in a body-centered cubic geometry to eight equivalent Ru atoms. 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, four equivalent Ru, and two equivalent Rh atoms.

36 MATERIALS SCIENCE↗