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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on GdGa3 by Materials Project

GdGa3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Gd is bonded to twelve equivalent Ga atoms to form a mixture of distorted corner and face-sharing GdGa12 cuboctahedra. There are six shorter (3.07 Å) and six longer (3.17 Å) Gd–Ga bond lengths. Ga is bonded in a 10-coordinate geometry to four equivalent Gd and six equivalent Ga atoms. There are two shorter (2.79 Å) and four longer (2.81 Å) Ga–Ga bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Gd3Ga by Materials Project

Gd3Ga is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Gd is bonded to eight equivalent Gd and four equivalent Ga atoms to form distorted GdGd8Ga4 cuboctahedra that share corners with twelve equivalent GdGd8Ga4 cuboctahedra, edges with eight equivalent GaGd12 cuboctahedra, edges with sixteen equivalent GdGd8Ga4 cuboctahedra, faces with four equivalent GaGd12 cuboctahedra, and faces with fourteen equivalent GdGd8Ga4 cuboctahedra. All Gd–Gd bond lengths are 3.37 Å. All Gd–Ga bond lengths are 3.37 Å. Ga is bonded to twelve equivalent Gd atoms to form GaGd12 cuboctahedra that share corners with twelve equivalent GaGd12 cuboctahedra, edges with twenty-four equivalent GdGd8Ga4 cuboctahedra, faces with six equivalent GaGd12 cuboctahedra, and faces with twelve equivalent GdGd8Ga4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on GdGa6 by Materials Project

GdGa6 crystallizes in the tetragonal P4/nbm space group. The structure is three-dimensional. Gd is bonded to twelve Ga atoms to form a mixture of face and edge-sharing GdGa12 cuboctahedra. There are four shorter (3.11 Å) and eight longer (3.26 Å) Gd–Ga bond lengths. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 9-coordinate geometry to four equivalent Gd and five Ga atoms. There are one shorter (2.48 Å) and four longer (2.63 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 4-coordinate geometry to one Gd and three Ga atoms. The Ga–Ga bond length is 2.52 Å.

36 MATERIALS SCIENCE↗