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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on FeRu by Materials Project

FeRu crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Ru is bonded to six equivalent Ru and six equivalent Fe atoms to form distorted RuFe6Ru6 cuboctahedra that share corners with eighteen equivalent RuFe6Ru6 cuboctahedra, edges with six equivalent RuFe6Ru6 cuboctahedra, edges with twelve equivalent FeFe6Ru6 cuboctahedra, faces with eight equivalent RuFe6Ru6 cuboctahedra, and faces with twelve equivalent FeFe6Ru6 cuboctahedra. All Ru–Ru bond lengths are 2.64 Å. All Ru–Fe bond lengths are 2.54 Å. Fe is bonded to six equivalent Ru and six equivalent Fe atoms to form distorted FeFe6Ru6 cuboctahedra that share corners with eighteen equivalent FeFe6Ru6 cuboctahedra, edges with six equivalent FeFe6Ru6 cuboctahedra, edges with twelve equivalent RuFe6Ru6 cuboctahedra, faces with eight equivalent FeFe6Ru6 cuboctahedra, and faces with twelve equivalent RuFe6Ru6 cuboctahedra. All Fe–Fe bond lengths are 2.64 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on FeRu(NF)6 by Materials Project

RuFe(NF)6 crystallizes in the cubic Pa-3 space group. The structure is three-dimensional. Ru5+ is bonded in an octahedral geometry to six equivalent N+0.33- atoms. All Ru–N bond lengths are 1.95 Å. Fe3+ is bonded in an octahedral geometry to six equivalent F1- atoms. All Fe–F bond lengths are 2.04 Å. N+0.33- is bonded in a 2-coordinate geometry to one Ru5+ and one F1- atom. The N–F bond length is 1.55 Å. F1- is bonded in a distorted bent 120 degrees geometry to one Fe3+ and one N+0.33- atom.

36 MATERIALS SCIENCE↗