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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Y5Ga3 by Materials Project

Y5Ga3 crystallizes in the tetragonal P4/ncc space group. The structure is three-dimensional. there are two inequivalent Y sites. In the first Y site, Y is bonded to five Ga atoms to form a mixture of distorted face, edge, and corner-sharing YGa5 trigonal bipyramids. There are a spread of Y–Ga bond distances ranging from 3.07–3.21 Å. In the second Y site, Y is bonded in a 4-coordinate geometry to six Ga atoms. There are a spread of Y–Ga bond distances ranging from 3.04–3.65 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 9-coordinate geometry to eight Y and one Ga atom. The Ga–Ga bond length is 2.66 Å. In the second Ga site, Ga is bonded in a 10-coordinate geometry to ten Y atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YGa3 by Materials Project

YGa3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Y is bonded to twelve equivalent Ga atoms to form YGa12 cuboctahedra that share corners with twelve equivalent YGa12 cuboctahedra, edges with twenty-four equivalent GaY4Ga8 cuboctahedra, faces with six equivalent YGa12 cuboctahedra, and faces with twelve equivalent GaY4Ga8 cuboctahedra. All Y–Ga bond lengths are 3.03 Å. Ga is bonded to four equivalent Y and eight equivalent Ga atoms to form distorted GaY4Ga8 cuboctahedra that share corners with twelve equivalent GaY4Ga8 cuboctahedra, edges with eight equivalent YGa12 cuboctahedra, edges with sixteen equivalent GaY4Ga8 cuboctahedra, faces with four equivalent YGa12 cuboctahedra, and faces with fourteen equivalent GaY4Ga8 cuboctahedra. All Ga–Ga bond lengths are 3.03 Å.

36 MATERIALS SCIENCE↗