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11 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Ce2Ga10Pd by Materials Project

Ce2PdGa10 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 3.27–3.54 Å. Pd is bonded in a body-centered cubic geometry to eight equivalent Ga atoms. All Pd–Ga bond lengths are 2.60 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 (2.60 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. All Ga–Ga bond lengths are 2.62 Å. In the third Ga site, Ga is bonded in a 12-coordinate geometry to four equivalent Ce and four equivalent Ga atoms. In the fourth Ga site, Ga is bonded in a 2-coordinate geometry to two equivalent Ce, two equivalent Pd, and two equivalent Ga atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CeGa3Pd2 by Materials Project

CePd2Ga3 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Ce is bonded in a distorted hexagonal planar geometry to six equivalent Pd and twelve equivalent Ga atoms. All Ce–Pd bond lengths are 3.12 Å. All Ce–Ga bond lengths are 3.46 Å. Pd is bonded in a 9-coordinate geometry to three equivalent Ce and six equivalent Ga atoms. All Pd–Ga bond lengths are 2.66 Å. Ga is bonded to four equivalent Ce and four equivalent Pd atoms to form a mixture of distorted edge, face, and corner-sharing GaCe4Pd4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ce2Ga12Pd by Materials Project

Ce2PdGa12 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 3.21–3.41 Å. Pd is bonded in a body-centered cubic geometry to eight equivalent Ga atoms. All Pd–Ga bond lengths are 2.58 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 (2.44 Å) and four longer (2.64 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 2-coordinate geometry to two equivalent Ce, two equivalent Pd, and two equivalent Ga atoms. Both Ga–Ga bond lengths are 2.64 Å. In the third Ga site, Ga is bonded in a 4-coordinate geometry to one Ce and three Ga atoms. The Ga–Ga bond length is 2.59 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 CeGa6Pd by Materials Project

CePdGa6 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Ce is bonded in a 8-coordinate geometry to sixteen Ga atoms. There are eight shorter (3.37 Å) and eight longer (3.41 Å) Ce–Ga bond lengths. Pd is bonded in a body-centered cubic geometry to eight equivalent Ga atoms. All Pd–Ga bond lengths are 2.62 Å. There are two 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 (2.40 Å) and four longer (2.62 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 2-coordinate geometry to two equivalent Ce, two equivalent Pd, and two equivalent Ga atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CeGaPd2 by Materials Project

CePd2Ga crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ce is bonded in a 11-coordinate geometry to eight equivalent Pd and three equivalent Ga atoms. There are a spread of Ce–Pd bond distances ranging from 3.07–3.37 Å. There are a spread of Ce–Ga bond distances ranging from 3.09–3.20 Å. Pd is bonded in a 12-coordinate geometry to four equivalent Ce and three equivalent Ga atoms. There are two shorter (2.58 Å) and one longer (2.71 Å) Pd–Ga bond lengths. Ga is bonded in a 9-coordinate geometry to three equivalent Ce and six equivalent Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ce8GaPd24 by Materials Project

Ce8Pd24Ga crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ce is bonded to twelve Pd atoms to form CePd12 cuboctahedra that share corners with twelve equivalent CePd12 cuboctahedra, faces with six equivalent CePd12 cuboctahedra, and a faceface with one GaPd6 octahedra. There are a spread of Ce–Pd bond distances ranging from 2.98–3.02 Å. There are three inequivalent Pd sites. In the first Pd site, Pd is bonded in a distorted rectangular see-saw-like geometry to four equivalent Ce atoms. In the second Pd site, Pd is bonded in a 5-coordinate geometry to four equivalent Ce and one Ga atom. The Pd–Ga bond length is 2.47 Å. In the third Pd site, Pd is bonded in a distorted square co-planar geometry to four equivalent Ce atoms. Ga is bonded to six equivalent Pd atoms to form GaPd6 octahedra that share faces with eight equivalent CePd12 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CeGaPd by Materials Project

CePdGa crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ce is bonded in a 1-coordinate geometry to five equivalent Pd and six equivalent Ga atoms. There are a spread of Ce–Pd bond distances ranging from 2.97–3.20 Å. There are a spread of Ce–Ga bond distances ranging from 3.15–3.28 Å. Pd is bonded in a 9-coordinate geometry to five equivalent Ce and four equivalent Ga atoms. There are a spread of Pd–Ga bond distances ranging from 2.64–2.81 Å. Ga is bonded in a 10-coordinate geometry to six equivalent Ce and four equivalent Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CeGa3Pd by Materials Project

CePdGa3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ce is bonded in a 6-coordinate geometry to five equivalent Pd and twelve Ga atoms. There are a spread of Ce–Pd bond distances ranging from 3.29–3.66 Å. There are a spread of Ce–Ga bond distances ranging from 3.14–3.41 Å. Pd is bonded in a 5-coordinate geometry to five equivalent Ce and five Ga atoms. There are one shorter (2.47 Å) and four longer (2.54 Å) Pd–Ga bond lengths. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 1-coordinate geometry to four equivalent Ce, one Pd, and four equivalent Ga atoms. All Ga–Ga bond lengths are 2.65 Å. In the second Ga site, Ga is bonded in a distorted L-shaped geometry to four equivalent Ce, two equivalent Pd, and two equivalent Ga atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CeGa8Pd3 by Materials Project

CePd3Ga8 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Ce is bonded in a 12-coordinate geometry to six Pd and fourteen Ga atoms. There are four shorter (3.19 Å) and two longer (3.47 Å) Ce–Pd bond lengths. There are a spread of Ce–Ga bond distances ranging from 3.14–3.63 Å. There are three inequivalent Pd sites. In the first Pd site, Pd is bonded in a 6-coordinate geometry to three equivalent Ce and six Ga atoms. There are three shorter (2.59 Å) and three longer (2.68 Å) Pd–Ga bond lengths. In the second Pd site, Pd is bonded in a 10-coordinate geometry to two equivalent Ce and eight Ga atoms. There are a spread of Pd–Ga bond distances ranging from 2.62–2.71 Å. In the third Pd site, Pd is bonded in a cuboctahedral geometry to twelve Ga atoms. There are six shorter (2.81 Å) and six longer (2.87 Å) Pd–Ga bond lengths. There are eight inequivalent Ga sites. In the first Ga site, Ga is bonded in a 10-coordinate geometry to two equivalent Ce, three Pd, and five Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.68–2.74 Å. In the second Ga site, Ga is bonded in a 10-coordinate geometry to one Ce, three Pd, and six Ga atoms. The Ga–Ce bond length is 3.14 Å. There are two shorter (2.71 Å) and one longer (2.87 Å) Ga–Pd bond lengths. There are a spread of Ga–Ga bond distances ranging from 2.74–2.87 Å. In the third Ga site, Ga is bonded in a 10-coordinate geometry to one Ce, three Pd, and six Ga atoms. The Ga–Ce bond length is 3.14 Å. There are two shorter (2.71 Å) and one longer (2.87 Å) Ga–Pd bond lengths. There are two shorter (2.76 Å) and two longer (2.87 Å) Ga–Ga bond lengths. In the fourth Ga site, Ga is bonded in a 10-coordinate geometry to one Ce, three Pd, and six Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.74–2.87 Å. In the fifth Ga site, Ga is bonded in a 10-coordinate geometry to one Ce, three Pd, and six Ga atoms. Both Ga–Pd bond lengths are 2.71 Å. There are a spread of Ga–Ga bond distances ranging from 2.74–2.87 Å. In the sixth Ga site, Ga is bonded in a 10-coordinate geometry to one Ce, three Pd, and six Ga atoms. The Ga–Ce bond length is 3.14 Å. There are two shorter (2.76 Å) and one longer (2.87 Å) Ga–Ga bond lengths. In the seventh Ga site, Ga is bonded in a 3-coordinate geometry to three equivalent Ce, three Pd, and one Ga atom. In the eighth Ga site, Ga is bonded in a 3-coordinate geometry to one Ce, three Pd, and four Ga atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ce(GaPd)2 by Materials Project

Ce(PdGa)2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Ce is bonded in a 4-coordinate geometry to eight Pd and eight Ga atoms. There are four shorter (3.27 Å) and four longer (3.41 Å) Ce–Pd bond lengths. There are four shorter (3.32 Å) and four longer (3.34 Å) Ce–Ga bond lengths. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded to four equivalent Ce and four equivalent Ga atoms to form distorted PdCe4Ga4 tetrahedra that share corners with twelve equivalent GaCe4Pd4 tetrahedra, edges with two equivalent GaCe4Pd4 tetrahedra, edges with four equivalent PdCe4Ga4 tetrahedra, and faces with four equivalent PdCe4Ga4 tetrahedra. All Pd–Ga bond lengths are 2.54 Å. In the second Pd site, Pd is bonded in a 9-coordinate geometry to four equivalent Ce and five Ga atoms. There are one shorter (2.49 Å) and four longer (2.55 Å) Pd–Ga bond lengths. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded to four equivalent Ce and four equivalent Pd atoms to form distorted GaCe4Pd4 tetrahedra that share corners with twelve equivalent PdCe4Ga4 tetrahedra, edges with two equivalent PdCe4Ga4 tetrahedra, edges with four equivalent GaCe4Pd4 tetrahedra, and faces with four equivalent GaCe4Pd4 tetrahedra. In the second Ga site, Ga is bonded in a 9-coordinate geometry to four equivalent Ce and five Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ce2Ga7Pd by Materials Project

Ce2PdGa7 crystallizes in the tetragonal P4mm space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded in a 8-coordinate geometry to four equivalent Pd and twelve Ga atoms. All Ce–Pd bond lengths are 3.37 Å. There are a spread of Ce–Ga bond distances ranging from 3.28–3.39 Å. In the second Ce site, Ce is bonded in a 12-coordinate geometry to sixteen Ga atoms. There are a spread of Ce–Ga bond distances ranging from 3.28–3.48 Å. Pd is bonded in a 5-coordinate geometry to four equivalent Ce and five Ga atoms. There are one shorter (2.44 Å) and four longer (2.51 Å) Pd–Ga bond lengths. There are five inequivalent Ga sites. In the first Ga site, Ga is bonded in a distorted bent 120 degrees geometry to four Ce, two equivalent Pd, and two equivalent Ga atoms. Both Ga–Ga bond lengths are 2.63 Å. In the second Ga site, Ga is bonded in a 12-coordinate geometry to four Ce and four Ga atoms. There are two shorter (2.59 Å) and two longer (2.65 Å) Ga–Ga bond lengths. In the third Ga site, Ga is bonded in a 9-coordinate geometry to four equivalent Ce and five Ga atoms. The Ga–Ga bond length is 2.44 Å. In the fourth Ga site, Ga is bonded in a 9-coordinate geometry to four equivalent Ce and five Ga atoms. In the fifth Ga site, Ga is bonded in a distorted single-bond geometry to four equivalent Ce, one Pd, and four equivalent Ga atoms.

36 MATERIALS SCIENCE↗