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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Be2Re by Materials Project

Be2Re 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 Re atoms to form a mixture of face, edge, and corner-sharing BeBe6Re6 cuboctahedra. All Be–Be bond lengths are 2.20 Å. All Be–Re bond lengths are 2.57 Å. In the second Be site, Be is bonded to six Be and six equivalent Re atoms to form a mixture of face, edge, and corner-sharing BeBe6Re6 cuboctahedra. There are two shorter (2.16 Å) and two longer (2.22 Å) Be–Be bond lengths. There are two shorter (2.56 Å) and four longer (2.57 Å) Be–Re bond lengths. Re is bonded in a 12-coordinate geometry to twelve Be and four equivalent Re atoms. There are three shorter (2.68 Å) and one longer (2.69 Å) Re–Re bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Be22Re by Materials Project

Be22Re crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. there are four inequivalent Be sites. In the first Be site, Be is bonded to twelve Be atoms to form a mixture of distorted face, edge, and corner-sharing BeBe12 cuboctahedra. There are a spread of Be–Be bond distances ranging from 2.04–2.27 Å. In the second Be site, Be is bonded to eleven Be and one Re atom to form BeBe11Re cuboctahedra that share corners with twenty-three BeBe12 cuboctahedra, edges with five BeBe11Re cuboctahedra, and faces with twenty-three BeBe12 cuboctahedra. There are a spread of Be–Be bond distances ranging from 2.13–2.45 Å. The Be–Re bond length is 2.53 Å. In the third Be site, Be is bonded to twelve Be atoms to form a mixture of face, edge, and corner-sharing BeBe12 cuboctahedra. In the fourth Be site, Be is bonded in a 2-coordinate geometry to twelve equivalent Be and two equivalent Re atoms. Both Be–Re bond lengths are 2.49 Å. Re is bonded in a 4-coordinate geometry to sixteen Be atoms.

36 MATERIALS SCIENCE↗