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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on CeGaNi by Materials Project

CeNiGa crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Ce is bonded in a 11-coordinate geometry to five Ni and six equivalent Ga atoms. There are four shorter (2.87 Å) and one longer (2.90 Å) Ce–Ni bond lengths. There are two shorter (3.09 Å) and four longer (3.22 Å) Ce–Ga bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a distorted q6 geometry to three equivalent Ce and six equivalent Ga atoms. All Ni–Ga bond lengths are 2.58 Å. In the second Ni site, Ni is bonded in a 9-coordinate geometry to six equivalent Ce and three equivalent Ga atoms. All Ni–Ga bond lengths are 2.69 Å. Ga is bonded to six equivalent Ce, four Ni, and two equivalent Ga atoms to form a mixture of distorted edge, corner, and face-sharing GaCe6Ga2Ni4 cuboctahedra. Both Ga–Ga bond lengths are 2.84 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CeGaNi by Materials Project

CeNiGa crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ce is bonded in a 10-coordinate geometry to four equivalent Ni and six equivalent Ga atoms. There are a spread of Ce–Ni bond distances ranging from 2.89–3.00 Å. There are a spread of Ce–Ga bond distances ranging from 3.07–3.18 Å. Ni is bonded in a 8-coordinate geometry to four equivalent Ce and four equivalent Ga atoms. There are a spread of Ni–Ga bond distances ranging from 2.45–2.56 Å. Ga is bonded in a 10-coordinate geometry to six equivalent Ce and four equivalent Ni atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ce2Ga12Ni by Materials Project

Ce2NiGa12 crystallizes in the tetragonal P4/nbm space group. The structure is three-dimensional. Ce is bonded in a 6-coordinate geometry to fourteen Ga atoms. There are a spread of Ce–Ga bond distances ranging from 3.17–3.37 Å. Ni is bonded in a body-centered cubic geometry to eight equivalent Ga atoms. All Ni–Ga bond lengths are 2.50 Å. There are four inequivalent Ga sites. In the first Ga site, Ga is bonded in a 4-coordinate geometry to one Ce and three Ga atoms. There are one shorter (2.59 Å) and two longer (2.62 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 9-coordinate geometry to four equivalent Ce and five Ga atoms. The Ga–Ga bond length is 2.43 Å. In the third Ga site, Ga is bonded in a 2-coordinate geometry to two equivalent Ce, two equivalent Ni, and seven Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.61–3.02 Å. In the fourth Ga site, Ga is bonded in a 9-coordinate geometry to four equivalent Ce and five Ga atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ce2Ga10Ni by Materials Project

Ce2NiGa10 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ce is bonded in a 12-coordinate geometry to sixteen Ga atoms. There are a spread of Ce–Ga bond distances ranging from 3.23–3.56 Å. Ni is bonded in a body-centered cubic geometry to eight equivalent Ga atoms. All Ni–Ga bond lengths are 2.52 Å. There are four inequivalent Ga sites. In the first Ga site, Ga is bonded in a 9-coordinate geometry to four equivalent Ce and five Ga atoms. There are one shorter (2.41 Å) and four longer (2.59 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded to four equivalent Ce and eight Ga atoms to form a mixture of distorted corner and face-sharing GaCe4Ga8 cuboctahedra. All Ga–Ga bond lengths are 3.07 Å. In the third Ga site, Ga is bonded in a 2-coordinate geometry to two equivalent Ce, two equivalent Ni, and three Ga atoms. There are one shorter (2.58 Å) and two longer (2.61 Å) Ga–Ga bond lengths. In the fourth Ga site, Ga is bonded in a 9-coordinate geometry to four equivalent Ce and five Ga atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CeGa2Ni by Materials Project

CeNiGa2 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Ce is bonded in a 8-coordinate geometry to four equivalent Ni and ten Ga atoms. All Ce–Ni bond lengths are 3.16 Å. There are a spread of Ce–Ga bond distances ranging from 3.17–3.31 Å. Ni is bonded in a 10-coordinate geometry to four equivalent Ce, one Ni, and five Ga atoms. The Ni–Ni bond length is 2.54 Å. There are a spread of Ni–Ga bond distances ranging from 2.37–2.44 Å. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a 1-coordinate geometry to six equivalent Ce, one Ni, and two equivalent Ga atoms. Both Ga–Ga bond lengths are 2.51 Å. In the second Ga site, Ga is bonded in a 12-coordinate geometry to four equivalent Ce, four equivalent Ni, and four equivalent Ga atoms. All Ga–Ga bond lengths are 2.93 Å. In the third Ga site, Ga is bonded in a 12-coordinate geometry to four equivalent Ce, four equivalent Ni, and four equivalent Ga atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CeGaNi4 by Materials Project

CeNi4Ga crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Ce is bonded in a 6-coordinate geometry to fourteen Ni and four equivalent Ga atoms. There are a spread of Ce–Ni bond distances ranging from 2.74–3.17 Å. All Ce–Ga bond lengths are 3.24 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 12-coordinate geometry to three equivalent Ce, seven Ni, and two equivalent Ga atoms. There are a spread of Ni–Ni bond distances ranging from 2.48–2.85 Å. Both Ni–Ga bond lengths are 2.48 Å. In the second Ni site, Ni is bonded to four equivalent Ce, six Ni, and two equivalent Ga atoms to form NiCe4Ga2Ni6 cuboctahedra that share corners with four equivalent GaCe4Ni8 cuboctahedra, corners with twelve equivalent NiCe4Ga2Ni6 cuboctahedra, edges with four equivalent GaCe4Ni8 cuboctahedra, edges with six equivalent NiCe4Ga2Ni6 cuboctahedra, faces with four equivalent GaCe4Ni8 cuboctahedra, and faces with six equivalent NiCe4Ga2Ni6 cuboctahedra. Both Ni–Ni bond lengths are 2.52 Å. Both Ni–Ga bond lengths are 2.44 Å. Ga is bonded to four equivalent Ce and eight Ni atoms to form distorted GaCe4Ni8 cuboctahedra that share corners with eight equivalent NiCe4Ga2Ni6 cuboctahedra, corners with eight equivalent GaCe4Ni8 cuboctahedra, edges with two equivalent GaCe4Ni8 cuboctahedra, edges with eight equivalent NiCe4Ga2Ni6 cuboctahedra, faces with two equivalent GaCe4Ni8 cuboctahedra, and faces with eight equivalent NiCe4Ga2Ni6 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CeGa2Ni3 by Materials Project

CeNi3Ga2 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Ce is bonded in a 6-coordinate geometry to ten Ni and eight equivalent Ga atoms. There are a spread of Ce–Ni bond distances ranging from 2.84–3.31 Å. All Ce–Ga bond lengths are 3.24 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded to four equivalent Ce, four equivalent Ni, and four equivalent Ga atoms to form distorted NiCe4Ga4Ni4 cuboctahedra that share corners with eight equivalent NiCe4Ga4Ni4 cuboctahedra, corners with eight equivalent GaCe4Ga2Ni6 cuboctahedra, edges with two equivalent NiCe4Ga4Ni4 cuboctahedra, edges with eight equivalent GaCe4Ga2Ni6 cuboctahedra, faces with two equivalent NiCe4Ga4Ni4 cuboctahedra, and faces with eight equivalent GaCe4Ga2Ni6 cuboctahedra. All Ni–Ni bond lengths are 2.51 Å. All Ni–Ga bond lengths are 2.49 Å. In the second Ni site, Ni is bonded in a 12-coordinate geometry to three equivalent Ce, five Ni, and four equivalent Ga atoms. There are one shorter (2.85 Å) and two longer (2.95 Å) Ni–Ni bond lengths. All Ni–Ga bond lengths are 2.54 Å. Ga is bonded to four equivalent Ce, six Ni, and two equivalent Ga atoms to form GaCe4Ga2Ni6 cuboctahedra that share corners with four equivalent NiCe4Ga4Ni4 cuboctahedra, corners with twelve equivalent GaCe4Ga2Ni6 cuboctahedra, edges with four equivalent NiCe4Ga4Ni4 cuboctahedra, edges with six equivalent GaCe4Ga2Ni6 cuboctahedra, faces with four equivalent NiCe4Ga4Ni4 cuboctahedra, and faces with six equivalent GaCe4Ga2Ni6 cuboctahedra. Both Ga–Ga bond lengths are 2.59 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CeGaNi4 by Materials Project

CeNi4Ga crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Ce is bonded in a 6-coordinate geometry to fifteen Ni and three equivalent Ga atoms. There are three shorter (2.94 Å) and twelve longer (3.20 Å) Ce–Ni bond lengths. All Ce–Ga bond lengths are 2.94 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded to three equivalent Ce, six equivalent Ni, and three equivalent Ga atoms to form distorted NiCe3Ga3Ni6 cuboctahedra that share corners with nine equivalent GaCe3Ni9 cuboctahedra, corners with twelve equivalent NiCe4Ga2Ni6 cuboctahedra, edges with six equivalent NiCe3Ga3Ni6 cuboctahedra, faces with three equivalent GaCe3Ni9 cuboctahedra, and faces with twenty NiCe3Ga3Ni6 cuboctahedra. All Ni–Ni bond lengths are 2.42 Å. All Ni–Ga bond lengths are 2.94 Å. In the second Ni site, Ni is bonded to four equivalent Ce, six Ni, and two equivalent Ga atoms to form distorted NiCe4Ga2Ni6 cuboctahedra that share corners with four equivalent GaCe3Ni9 cuboctahedra, corners with twenty NiCe3Ga3Ni6 cuboctahedra, edges with ten equivalent NiCe4Ga2Ni6 cuboctahedra, faces with six equivalent GaCe3Ni9 cuboctahedra, and faces with sixteen NiCe3Ga3Ni6 cuboctahedra. There are two shorter (2.50 Å) and two longer (2.59 Å) Ni–Ni bond lengths. Both Ni–Ga bond lengths are 2.45 Å. Ga is bonded to three equivalent Ce and nine Ni atoms to form distorted GaCe3Ni9 cuboctahedra that share corners with twenty-one NiCe3Ga3Ni6 cuboctahedra, edges with six equivalent GaCe3Ni9 cuboctahedra, faces with two equivalent GaCe3Ni9 cuboctahedra, and faces with twenty-one NiCe3Ga3Ni6 cuboctahedra.

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↗
DOE OSTI2020

Materials Data on Ce3Ga10Ni by Materials Project

Ce3NiGa10 crystallizes in the orthorhombic Pmmm space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded to twelve Ga atoms to form a mixture of edge and face-sharing CeGa12 cuboctahedra. There are four shorter (3.21 Å) and eight longer (3.26 Å) Ce–Ga bond lengths. In the second Ce site, Ce is bonded in a 4-coordinate geometry to fourteen Ga atoms. There are a spread of Ce–Ga bond distances ranging from 3.16–3.39 Å. Ni is bonded in a body-centered cubic geometry to eight Ga atoms. There are four shorter (2.48 Å) and four longer (2.51 Å) Ni–Ga bond lengths. There are five inequivalent Ga sites. In the first Ga site, Ga is bonded in a 9-coordinate geometry to four equivalent Ce and five Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.40–2.64 Å. In the second Ga site, Ga is bonded in a 9-coordinate geometry to six Ce and three Ga atoms. Both Ga–Ga bond lengths are 2.46 Å. In the third Ga site, Ga is bonded in a 9-coordinate geometry to six Ce and three Ga atoms. The Ga–Ga bond length is 2.47 Å. In the fourth Ga site, Ga is bonded in a 2-coordinate geometry to two equivalent Ce, two equivalent Ni, and seven Ga atoms. There are one shorter (2.60 Å) and four longer (3.02 Å) Ga–Ga bond lengths. In the fifth Ga site, Ga is bonded in a 2-coordinate geometry to two equivalent Ce, two equivalent Ni, and seven Ga atoms. The Ga–Ga bond length is 2.57 Å.

36 MATERIALS SCIENCE↗