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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↗