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DOE OSTI2020

Materials Data on LuGa3 by Materials Project

LuGa3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Lu is bonded to twelve equivalent Ga atoms to form LuGa12 cuboctahedra that share corners with twelve equivalent LuGa12 cuboctahedra, edges with twenty-four equivalent GaLu4Ga8 cuboctahedra, faces with six equivalent LuGa12 cuboctahedra, and faces with twelve equivalent GaLu4Ga8 cuboctahedra. All Lu–Ga bond lengths are 2.99 Å. Ga is bonded to four equivalent Lu and eight equivalent Ga atoms to form distorted GaLu4Ga8 cuboctahedra that share corners with twelve equivalent GaLu4Ga8 cuboctahedra, edges with eight equivalent LuGa12 cuboctahedra, edges with sixteen equivalent GaLu4Ga8 cuboctahedra, faces with four equivalent LuGa12 cuboctahedra, and faces with fourteen equivalent GaLu4Ga8 cuboctahedra. All Ga–Ga bond lengths are 2.99 Å.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on LuGa by Materials Project

LuGa crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Lu is bonded in a 7-coordinate geometry to seven equivalent Ga atoms. There are a spread of Lu–Ga bond distances ranging from 2.98–3.13 Å. Ga is bonded in a 9-coordinate geometry to seven equivalent Lu and two equivalent Ga atoms. Both Ga–Ga bond lengths are 2.61 Å.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on Lu3Ga by Materials Project

Lu3Ga is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Lu is bonded to eight equivalent Lu and four equivalent Ga atoms to form distorted LuLu8Ga4 cuboctahedra that share corners with four equivalent GaLu12 cuboctahedra, corners with fourteen equivalent LuLu8Ga4 cuboctahedra, edges with six equivalent GaLu12 cuboctahedra, edges with twelve equivalent LuLu8Ga4 cuboctahedra, faces with four equivalent GaLu12 cuboctahedra, and faces with sixteen equivalent LuLu8Ga4 cuboctahedra. There are a spread of Lu–Lu bond distances ranging from 3.20–3.41 Å. There are two shorter (3.20 Å) and two longer (3.30 Å) Lu–Ga bond lengths. Ga is bonded to twelve equivalent Lu atoms to form GaLu12 cuboctahedra that share corners with six equivalent GaLu12 cuboctahedra, corners with twelve equivalent LuLu8Ga4 cuboctahedra, edges with eighteen equivalent LuLu8Ga4 cuboctahedra, faces with eight equivalent GaLu12 cuboctahedra, and faces with twelve equivalent LuLu8Ga4 cuboctahedra.

36 MATERIALS SCIENCE↗