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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on AgB2 by Materials Project

AgB2 is hexagonal omega structure structured and crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Ag is bonded to six equivalent Ag and twelve equivalent B atoms to form a mixture of distorted face, edge, and corner-sharing AgAg6B12 cuboctahedra. All Ag–Ag bond lengths are 3.03 Å. All Ag–B bond lengths are 2.68 Å. B is bonded in a distorted trigonal planar geometry to six equivalent Ag and three equivalent B atoms. All B–B bond lengths are 1.75 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Be12Ag by Materials Project

Be12Ag 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 to ten Be and two equivalent Ag atoms to form a mixture of corner, edge, and face-sharing BeBe10Ag2 cuboctahedra. There are six shorter (2.13 Å) and four longer (2.26 Å) Be–Be bond lengths. Both Be–Ag bond lengths are 2.81 Å. In the second Be site, Be is bonded to ten Be and two equivalent Ag atoms to form a mixture of distorted corner, edge, and face-sharing BeBe10Ag2 cuboctahedra. There are a spread of Be–Be bond distances ranging from 2.23–2.44 Å. Both Be–Ag bond lengths are 2.74 Å. In the third Be site, Be is bonded in a 10-coordinate geometry to nine Be and one Ag atom. The Be–Be bond length is 2.16 Å. The Be–Ag bond length is 2.60 Å. Ag is bonded in a 12-coordinate geometry to twenty Be atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on BeAg3 by Materials Project

BeAg3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Be is bonded to twelve equivalent Ag atoms to form BeAg12 cuboctahedra that share corners with twelve equivalent BeAg12 cuboctahedra, edges with twenty-four equivalent AgBe4Ag8 cuboctahedra, faces with six equivalent BeAg12 cuboctahedra, and faces with twelve equivalent AgBe4Ag8 cuboctahedra. All Be–Ag bond lengths are 2.82 Å. Ag is bonded to four equivalent Be and eight equivalent Ag atoms to form AgBe4Ag8 cuboctahedra that share corners with twelve equivalent AgBe4Ag8 cuboctahedra, edges with eight equivalent BeAg12 cuboctahedra, edges with sixteen equivalent AgBe4Ag8 cuboctahedra, faces with four equivalent BeAg12 cuboctahedra, and faces with fourteen equivalent AgBe4Ag8 cuboctahedra. All Ag–Ag bond lengths are 2.82 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Be2Ag by Materials Project

Be2Ag is Cubic Laves structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Be is bonded to six equivalent Be and six equivalent Ag atoms to form a mixture of corner, edge, and face-sharing BeBe6Ag6 cuboctahedra. All Be–Be bond lengths are 2.27 Å. All Be–Ag bond lengths are 2.66 Å. Ag is bonded in a 12-coordinate geometry to twelve equivalent Be and four equivalent Ag atoms. All Ag–Ag bond lengths are 2.78 Å.

36 MATERIALS SCIENCE↗