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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Be3Ge by Materials Project

Be3Ge is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Be sites. In the first Be site, Be is bonded to eight Be and four equivalent Ge atoms to form distorted BeBe8Ge4 cuboctahedra that share corners with twelve equivalent BeBe8Ge4 cuboctahedra, edges with eight equivalent GeBe12 cuboctahedra, edges with sixteen BeBe8Ge4 cuboctahedra, faces with four equivalent GeBe12 cuboctahedra, and faces with fourteen BeBe8Ge4 cuboctahedra. There are four shorter (2.46 Å) and four longer (2.48 Å) Be–Be bond lengths. All Be–Ge bond lengths are 2.48 Å. In the second Be site, Be is bonded to eight equivalent Be and four equivalent Ge atoms to form distorted BeBe8Ge4 cuboctahedra that share corners with four equivalent BeBe8Ge4 cuboctahedra, corners with eight equivalent GeBe12 cuboctahedra, edges with twenty-four BeBe8Ge4 cuboctahedra, faces with six equivalent GeBe12 cuboctahedra, and faces with twelve BeBe8Ge4 cuboctahedra. All Be–Ge bond lengths are 2.46 Å. Ge is bonded to twelve Be atoms to form GeBe12 cuboctahedra that share corners with four equivalent GeBe12 cuboctahedra, corners with eight equivalent BeBe8Ge4 cuboctahedra, edges with eight equivalent GeBe12 cuboctahedra, edges with sixteen equivalent BeBe8Ge4 cuboctahedra, faces with four equivalent GeBe12 cuboctahedra, and faces with fourteen BeBe8Ge4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on BeGe3 by Materials Project

BeGe3 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Be is bonded in a distorted square co-planar geometry to twelve Ge atoms. There are four shorter (2.78 Å) and eight longer (2.95 Å) Be–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded to four equivalent Be and eight Ge atoms to form a mixture of distorted face, edge, and corner-sharing GeBe4Ge8 cuboctahedra. There are four shorter (2.78 Å) and four longer (2.95 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a distorted square co-planar geometry to four equivalent Be and eight equivalent Ge atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on BeGe3 by Materials Project

BeGe3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Be is bonded to twelve equivalent Ge atoms to form BeGe12 cuboctahedra that share corners with twelve equivalent BeGe12 cuboctahedra, edges with twenty-four equivalent GeBe4Ge8 cuboctahedra, faces with six equivalent BeGe12 cuboctahedra, and faces with twelve equivalent GeBe4Ge8 cuboctahedra. All Be–Ge bond lengths are 2.89 Å. Ge is bonded to four equivalent Be and eight equivalent Ge atoms to form distorted GeBe4Ge8 cuboctahedra that share corners with twelve equivalent GeBe4Ge8 cuboctahedra, edges with eight equivalent BeGe12 cuboctahedra, edges with sixteen equivalent GeBe4Ge8 cuboctahedra, faces with four equivalent BeGe12 cuboctahedra, and faces with fourteen equivalent GeBe4Ge8 cuboctahedra. All Ge–Ge bond lengths are 2.89 Å.

36 MATERIALS SCIENCE↗