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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Be12Pt by Materials Project

Be12Pt crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are three inequivalent Be sites. In the first Be site, Be is bonded in a 10-coordinate geometry to nine Be and one Pt atom. There are a spread of Be–Be bond distances ranging from 2.20–2.28 Å. The Be–Pt bond length is 2.53 Å. In the second Be site, Be is bonded to ten Be and two equivalent Pt atoms to form a mixture of face, edge, and corner-sharing BeBe10Pt2 cuboctahedra. There are two shorter (2.09 Å) and four longer (2.10 Å) Be–Be bond lengths. Both Be–Pt bond lengths are 2.77 Å. In the third Be site, Be is bonded to ten Be and two equivalent Pt atoms to form a mixture of distorted face, edge, and corner-sharing BeBe10Pt2 cuboctahedra. Both Be–Be bond lengths are 2.31 Å. Both Be–Pt bond lengths are 2.65 Å. Pt is bonded in a 12-coordinate geometry to twenty Be atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Be5Pt by Materials Project

Be5Pt crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are two inequivalent Be sites. In the first Be site, Be is bonded to twelve equivalent Be and four equivalent Pt atoms to form distorted BeBe12Pt4 tetrahedra that share corners with twelve equivalent BeBe9Pt3 cuboctahedra, faces with twenty-eight equivalent BeBe9Pt3 cuboctahedra, and faces with twelve equivalent BeBe12Pt4 tetrahedra. All Be–Be bond lengths are 2.48 Å. All Be–Pt bond lengths are 2.59 Å. In the second Be site, Be is bonded to nine Be and three equivalent Pt atoms to form distorted BeBe9Pt3 cuboctahedra that share corners with eighteen equivalent BeBe9Pt3 cuboctahedra, corners with three equivalent BeBe12Pt4 tetrahedra, edges with six equivalent BeBe9Pt3 cuboctahedra, faces with eighteen equivalent BeBe9Pt3 cuboctahedra, and faces with seven equivalent BeBe12Pt4 tetrahedra. There are three shorter (2.10 Å) and three longer (2.12 Å) Be–Be bond lengths. All Be–Pt bond lengths are 2.48 Å. Pt is bonded in a 12-coordinate geometry to sixteen Be atoms.

36 MATERIALS SCIENCE↗