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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Be2Fe by Materials Project

FeBe2 is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Be sites. In the first Be site, Be is bonded to six equivalent Be and six equivalent Fe atoms to form a mixture of corner, edge, and face-sharing BeBe6Fe6 cuboctahedra. All Be–Be bond lengths are 2.10 Å. All Be–Fe bond lengths are 2.46 Å. In the second Be site, Be is bonded to six Be and six equivalent Fe atoms to form a mixture of corner, edge, and face-sharing BeBe6Fe6 cuboctahedra. There are two shorter (2.05 Å) and two longer (2.14 Å) Be–Be bond lengths. There are two shorter (2.43 Å) and four longer (2.45 Å) Be–Fe bond lengths. Fe is bonded in a 12-coordinate geometry to twelve Be and four equivalent Fe atoms. All Fe–Fe bond lengths are 2.56 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Be3Fe by Materials Project

Be3Fe is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Be is bonded to eight equivalent Be and four equivalent Fe atoms to form BeBe8Fe4 cuboctahedra that share corners with twelve equivalent BeBe8Fe4 cuboctahedra, edges with eight equivalent FeBe12 cuboctahedra, edges with sixteen equivalent BeBe8Fe4 cuboctahedra, faces with four equivalent FeBe12 cuboctahedra, and faces with fourteen equivalent BeBe8Fe4 cuboctahedra. All Be–Be bond lengths are 2.29 Å. All Be–Fe bond lengths are 2.29 Å. Fe is bonded to twelve equivalent Be atoms to form FeBe12 cuboctahedra that share corners with twelve equivalent FeBe12 cuboctahedra, edges with twenty-four equivalent BeBe8Fe4 cuboctahedra, faces with six equivalent FeBe12 cuboctahedra, and faces with twelve equivalent BeBe8Fe4 cuboctahedra.

36 MATERIALS SCIENCE↗