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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on GaAg3 by Materials Project

Ag3Ga is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ag is bonded to eight equivalent Ag and four equivalent Ga atoms to form AgGa4Ag8 cuboctahedra that share corners with four equivalent GaAg12 cuboctahedra, corners with fourteen equivalent AgGa4Ag8 cuboctahedra, edges with six equivalent GaAg12 cuboctahedra, edges with twelve equivalent AgGa4Ag8 cuboctahedra, faces with four equivalent GaAg12 cuboctahedra, and faces with sixteen equivalent AgGa4Ag8 cuboctahedra. There are a spread of Ag–Ag bond distances ranging from 2.91–2.96 Å. There are two shorter (2.92 Å) and two longer (2.95 Å) Ag–Ga bond lengths. Ga is bonded to twelve equivalent Ag atoms to form GaAg12 cuboctahedra that share corners with six equivalent GaAg12 cuboctahedra, corners with twelve equivalent AgGa4Ag8 cuboctahedra, edges with eighteen equivalent AgGa4Ag8 cuboctahedra, faces with eight equivalent GaAg12 cuboctahedra, and faces with twelve equivalent AgGa4Ag8 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on GaAg3 by Materials Project

Ag3Ga crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. there are two inequivalent Ag sites. In the first Ag site, Ag is bonded to twelve Ag atoms to form AgAg12 cuboctahedra that share corners with six equivalent AgAg12 cuboctahedra, corners with twelve equivalent GaGa6Ag6 cuboctahedra, edges with eighteen AgAg12 cuboctahedra, faces with two equivalent GaGa6Ag6 cuboctahedra, and faces with eighteen AgAg12 cuboctahedra. There are six shorter (2.95 Å) and six longer (2.96 Å) Ag–Ag bond lengths. In the second Ag site, Ag is bonded to nine Ag and three equivalent Ga atoms to form AgGa3Ag9 cuboctahedra that share corners with eighteen equivalent AgGa3Ag9 cuboctahedra, edges with six equivalent GaGa6Ag6 cuboctahedra, edges with twelve AgAg12 cuboctahedra, faces with six equivalent GaGa6Ag6 cuboctahedra, and faces with fourteen AgAg12 cuboctahedra. All Ag–Ag bond lengths are 2.96 Å. All Ag–Ga bond lengths are 2.83 Å. Ga is bonded to six equivalent Ag and six equivalent Ga atoms to form GaGa6Ag6 cuboctahedra that share corners with six equivalent GaGa6Ag6 cuboctahedra, corners with twelve equivalent AgAg12 cuboctahedra, edges with six equivalent GaGa6Ag6 cuboctahedra, edges with twelve equivalent AgGa3Ag9 cuboctahedra, faces with six equivalent GaGa6Ag6 cuboctahedra, and faces with fourteen AgAg12 cuboctahedra. All Ga–Ga bond lengths are 2.96 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on GaAg3 by Materials Project

Ag3Ga is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ag is bonded to eight equivalent Ag and four equivalent Ga atoms to form AgGa4Ag8 cuboctahedra that share corners with twelve equivalent AgGa4Ag8 cuboctahedra, edges with eight equivalent GaAg12 cuboctahedra, edges with sixteen equivalent AgGa4Ag8 cuboctahedra, faces with four equivalent GaAg12 cuboctahedra, and faces with fourteen equivalent AgGa4Ag8 cuboctahedra. All Ag–Ag bond lengths are 2.92 Å. All Ag–Ga bond lengths are 2.92 Å. Ga is bonded to twelve equivalent Ag atoms to form GaAg12 cuboctahedra that share corners with twelve equivalent GaAg12 cuboctahedra, edges with twenty-four equivalent AgGa4Ag8 cuboctahedra, faces with six equivalent GaAg12 cuboctahedra, and faces with twelve equivalent AgGa4Ag8 cuboctahedra.

36 MATERIALS SCIENCE↗