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Materials Data on GaFe3 by Materials Project

Fe3Ga is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Fe is bonded to eight equivalent Fe and four equivalent Ga atoms to form FeGa4Fe8 cuboctahedra that share corners with twelve equivalent FeGa4Fe8 cuboctahedra, edges with eight equivalent GaFe12 cuboctahedra, edges with sixteen equivalent FeGa4Fe8 cuboctahedra, faces with four equivalent GaFe12 cuboctahedra, and faces with fourteen equivalent FeGa4Fe8 cuboctahedra. All Fe–Fe bond lengths are 2.59 Å. All Fe–Ga bond lengths are 2.59 Å. Ga is bonded to twelve equivalent Fe atoms to form GaFe12 cuboctahedra that share corners with twelve equivalent GaFe12 cuboctahedra, edges with twenty-four equivalent FeGa4Fe8 cuboctahedra, faces with six equivalent GaFe12 cuboctahedra, and faces with twelve equivalent FeGa4Fe8 cuboctahedra.

36 MATERIALS SCIENCE↗

Materials Data on GaFe3 by Materials Project

Fe3Ga is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Fe sites. In the first Fe site, Fe is bonded in a distorted body-centered cubic geometry to eight equivalent Fe and six equivalent Ga atoms. All Fe–Fe bond lengths are 2.50 Å. All Fe–Ga bond lengths are 2.89 Å. In the second Fe site, Fe is bonded in a distorted body-centered cubic geometry to four equivalent Fe and four equivalent Ga atoms. All Fe–Ga bond lengths are 2.50 Å. Ga is bonded in a distorted body-centered cubic geometry to fourteen Fe atoms.

36 MATERIALS SCIENCE↗