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Materials Data on FeRu by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1758838· OSTI ID:1758838
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.
Research Organization:
LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Contributing Organization:
The Materials Project; MIT; UC Berkeley; Duke; U Louvain
DOE Contract Number:
AC02-05CH11231
OSTI ID:
1758838
Report Number(s):
mp-1224803
Country of Publication:
United States
Language:
English

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