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All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

Materials Data on CeGa3Ni by Materials Project

CeNiGa3 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Ce is bonded in a 4-coordinate geometry to four equivalent Ni and twelve Ga atoms. All Ce–Ni bond lengths are 3.33 Å. There are a spread of Ce–Ga bond distances ranging from 3.13–3.31 Å. Ni is bonded in a 5-coordinate geometry to four equivalent Ce and five Ga atoms. There are one shorter (2.32 Å) and four longer (2.40 Å) Ni–Ga bond lengths. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 2-coordinate geometry to four equivalent Ce, two equivalent Ni, and two equivalent Ga atoms. Both Ga–Ga bond lengths are 2.69 Å. In the second Ga site, Ga is bonded in a 1-coordinate geometry to four equivalent Ce, one Ni, and four equivalent Ga atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CeGa3Ni by Materials Project

CeNiGa3 crystallizes in the tetragonal I-4m2 space group. The structure is three-dimensional. Ce is bonded in a 8-coordinate geometry to four equivalent Ni and twelve Ga atoms. All Ce–Ni bond lengths are 3.32 Å. There are eight shorter (3.20 Å) and four longer (3.32 Å) Ce–Ga bond lengths. Ni is bonded to four equivalent Ce and eight Ga atoms to form distorted NiCe4Ga8 cuboctahedra that share corners with four equivalent GaCe4Ga4Ni4 cuboctahedra, corners with twelve equivalent NiCe4Ga8 cuboctahedra, edges with two equivalent GaCe4Ga4Ni4 cuboctahedra, faces with four equivalent NiCe4Ga8 cuboctahedra, and faces with four equivalent GaCe4Ga4Ni4 cuboctahedra. There are four shorter (2.49 Å) and four longer (2.95 Å) Ni–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 Ce, two equivalent Ni, and three Ga atoms. There are one shorter (2.47 Å) and two longer (2.49 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded to four equivalent Ce, four equivalent Ni, and four equivalent Ga atoms to form GaCe4Ga4Ni4 cuboctahedra that share corners with four equivalent NiCe4Ga8 cuboctahedra, corners with twelve equivalent GaCe4Ga4Ni4 cuboctahedra, edges with two equivalent NiCe4Ga8 cuboctahedra, faces with four equivalent NiCe4Ga8 cuboctahedra, and faces with four equivalent GaCe4Ga4Ni4 cuboctahedra.

36 MATERIALS SCIENCE↗