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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on CeAlPt by Materials Project

CePtAl crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ce is bonded in a 5-coordinate geometry to five equivalent Pt and six equivalent Al atoms. There are a spread of Ce–Pt bond distances ranging from 2.94–3.14 Å. There are a spread of Ce–Al bond distances ranging from 3.16–3.36 Å. Pt is bonded in a 9-coordinate geometry to five equivalent Ce and four equivalent Al atoms. There are a spread of Pt–Al bond distances ranging from 2.65–2.73 Å. Al is bonded to six equivalent Ce and four equivalent Pt atoms to form a mixture of distorted edge, corner, and face-sharing AlCe6Pt4 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ce2Al16Pt9 by Materials Project

Ce2Pt9Al16 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Ce is bonded in a 4-coordinate geometry to six Pt and ten Al atoms. There are four shorter (3.29 Å) and two longer (3.41 Å) Ce–Pt bond lengths. There are a spread of Ce–Al bond distances ranging from 3.33–3.40 Å. There are four inequivalent Pt sites. In the first Pt site, Pt is bonded in a 8-coordinate geometry to eight Al atoms. There are a spread of Pt–Al bond distances ranging from 2.53–2.72 Å. In the second Pt site, Pt is bonded in a 9-coordinate geometry to two equivalent Ce and seven Al atoms. There are a spread of Pt–Al bond distances ranging from 2.49–2.68 Å. In the third Pt site, Pt is bonded in a 10-coordinate geometry to two equivalent Ce and eight Al atoms. There are a spread of Pt–Al bond distances ranging from 2.55–2.70 Å. In the fourth Pt site, Pt is bonded in a body-centered cubic geometry to eight Al atoms. There are four shorter (2.52 Å) and four longer (2.63 Å) Pt–Al bond lengths. There are five inequivalent Al sites. In the first Al site, Al is bonded to one Ce and four Pt atoms to form distorted AlCePt4 tetrahedra that share corners with eleven AlCePt4 tetrahedra, edges with four AlPt4 tetrahedra, and faces with three AlCePt4 tetrahedra. In the second Al site, Al is bonded in a 5-coordinate geometry to one Ce and five Pt atoms. In the third Al site, Al is bonded to two equivalent Ce and four Pt atoms to form distorted AlCe2Pt4 tetrahedra that share corners with nine AlCePt4 tetrahedra, edges with six AlCePt4 tetrahedra, and faces with four AlCe2Pt4 tetrahedra. In the fourth Al site, Al is bonded to two equivalent Ce and four Pt atoms to form distorted AlCe2Pt4 tetrahedra that share corners with sixteen AlCePt4 tetrahedra, edges with three equivalent AlCe2Pt4 tetrahedra, and faces with two equivalent AlCe2Pt4 tetrahedra. In the fifth Al site, Al is bonded to four Pt atoms to form distorted AlPt4 tetrahedra that share corners with ten AlCePt4 tetrahedra and edges with five AlPt4 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CeAl5Pt3 by Materials Project

CePt3Al5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ce is bonded in a 11-coordinate geometry to six Pt and eleven Al atoms. There are a spread of Ce–Pt bond distances ranging from 3.23–3.26 Å. There are a spread of Ce–Al bond distances ranging from 3.23–3.59 Å. There are three inequivalent Pt sites. In the first Pt site, Pt is bonded in a 9-coordinate geometry to two equivalent Ce and seven Al atoms. There are a spread of Pt–Al bond distances ranging from 2.52–2.64 Å. In the second Pt site, Pt is bonded in a 9-coordinate geometry to two equivalent Ce and seven Al atoms. There are a spread of Pt–Al bond distances ranging from 2.50–2.68 Å. In the third Pt site, Pt is bonded in a 9-coordinate geometry to two equivalent Ce and seven Al atoms. There are a spread of Pt–Al bond distances ranging from 2.52–2.73 Å. There are five inequivalent Al sites. In the first Al site, Al is bonded in a 5-coordinate geometry to one Ce and five Pt atoms. In the second Al site, Al is bonded in a 4-coordinate geometry to one Ce and four Pt atoms. In the third Al site, Al is bonded to three equivalent Ce and four Pt atoms to form a mixture of distorted face, edge, and corner-sharing AlCe3Pt4 tetrahedra. In the fourth Al site, Al is bonded to three equivalent Ce and four Pt atoms to form a mixture of distorted face, edge, and corner-sharing AlCe3Pt4 tetrahedra. In the fifth Al site, Al is bonded to three equivalent Ce and four Pt atoms to form a mixture of distorted face, edge, and corner-sharing AlCe3Pt4 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CeAl2Pt3 by Materials Project

CePt3Al2 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Ce is bonded in a 6-coordinate geometry to twelve equivalent Pt and six equivalent Al atoms. All Ce–Pt bond lengths are 3.44 Å. All Ce–Al bond lengths are 3.23 Å. Pt is bonded in a 4-coordinate geometry to four equivalent Ce and four equivalent Al atoms. All Pt–Al bond lengths are 2.58 Å. Al is bonded in a 9-coordinate geometry to three equivalent Ce and six equivalent Pt atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CeAl3Pt2 by Materials Project

CePt2Al3 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 Pt atoms. All Ce–Pt bond lengths are 3.16 Å. Pt is bonded in a 9-coordinate geometry to three equivalent Ce and six equivalent Al atoms. All Pt–Al bond lengths are 2.64 Å. Al is bonded in a 12-coordinate geometry to four equivalent Pt atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CeAl2Pt by Materials Project

CePtAl2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ce is bonded in a 1-coordinate geometry to three equivalent Pt and ten equivalent Al atoms. There are one shorter (2.98 Å) and two longer (3.17 Å) Ce–Pt bond lengths. There are a spread of Ce–Al bond distances ranging from 3.17–3.44 Å. Pt is bonded in a 9-coordinate geometry to three equivalent Ce and six equivalent Al atoms. There are two shorter (2.58 Å) and four longer (2.63 Å) Pt–Al bond lengths. Al is bonded in a 3-coordinate geometry to five equivalent Ce and three equivalent Pt atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ce3(Al3Pt2)2 by Materials Project

Ce3(Pt2Al3)2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent Ce sites. In the first Ce site, Ce is bonded in a 7-coordinate geometry to five Pt and ten Al atoms. There are a spread of Ce–Pt bond distances ranging from 3.15–3.39 Å. There are a spread of Ce–Al bond distances ranging from 3.34–3.69 Å. In the second Ce site, Ce is bonded in a 12-coordinate geometry to six Pt and ten Al atoms. There are a spread of Ce–Pt bond distances ranging from 3.29–3.43 Å. There are a spread of Ce–Al bond distances ranging from 3.27–3.57 Å. In the third Ce site, Ce is bonded in a 12-coordinate geometry to four Pt and eight Al atoms. There are two shorter (3.03 Å) and two longer (3.12 Å) Ce–Pt bond lengths. There are a spread of Ce–Al bond distances ranging from 3.11–3.22 Å. There are four inequivalent Pt sites. In the first Pt site, Pt is bonded in a 9-coordinate geometry to four Ce and five Al atoms. There are a spread of Pt–Al bond distances ranging from 2.53–2.63 Å. In the second Pt site, Pt is bonded in a 9-coordinate geometry to four Ce and five Al atoms. There are a spread of Pt–Al bond distances ranging from 2.57–2.73 Å. In the third Pt site, Pt is bonded in a 7-coordinate geometry to three Ce and six Al atoms. There are a spread of Pt–Al bond distances ranging from 2.57–2.64 Å. In the fourth Pt site, Pt is bonded in a 5-coordinate geometry to four Ce and five Al atoms. There are a spread of Pt–Al bond distances ranging from 2.44–2.58 Å. There are six inequivalent Al sites. In the first Al site, Al is bonded to five Ce and four Pt atoms to form distorted AlCe5Pt4 tetrahedra that share corners with five equivalent AlCe4Pt4 tetrahedra, edges with three AlCe4Pt4 tetrahedra, and faces with seven AlCe5Pt4 tetrahedra. In the second Al site, Al is bonded to four Ce and four Pt atoms to form distorted AlCe4Pt4 tetrahedra that share corners with eight AlCe4Pt4 tetrahedra, edges with three AlCe5Pt4 tetrahedra, and faces with five AlCe5Pt4 tetrahedra. In the third Al site, Al is bonded to four Ce and four Pt atoms to form distorted AlCe4Pt4 tetrahedra that share corners with eight AlCe5Pt4 tetrahedra, edges with three AlCe4Pt4 tetrahedra, and faces with five AlCe4Pt4 tetrahedra. In the fourth Al site, Al is bonded in a distorted bent 120 degrees geometry to six Ce and two Pt atoms. In the fifth Al site, Al is bonded in a distorted trigonal non-coplanar geometry to five Ce and three Pt atoms. In the sixth Al site, Al is bonded to four Ce and four Pt atoms to form distorted AlCe4Pt4 tetrahedra that share corners with five equivalent AlCe4Pt4 tetrahedra, edges with five AlCe5Pt4 tetrahedra, and faces with five AlCe5Pt4 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CeAl3Pt by Materials Project

CePtAl3 crystallizes in the tetragonal I-4m2 space group. The structure is three-dimensional. Ce is bonded in a 12-coordinate geometry to four equivalent Pt and twelve Al atoms. All Ce–Pt bond lengths are 3.47 Å. There are eight shorter (3.20 Å) and four longer (3.47 Å) Ce–Al bond lengths. Pt is bonded in a 4-coordinate geometry to four equivalent Ce and eight Al atoms. There are four shorter (2.56 Å) and four longer (2.93 Å) Pt–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded in a distorted water-like geometry to four equivalent Ce, two equivalent Pt, and three Al atoms. There are one shorter (2.54 Å) and two longer (2.56 Å) Al–Al bond lengths. In the second Al site, Al is bonded to four equivalent Ce, four equivalent Pt, and four equivalent Al atoms to form a mixture of distorted corner and face-sharing AlCe4Al4Pt4 cuboctahedra.

36 MATERIALS SCIENCE↗