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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on AlPd by Materials Project

PdAl is beta-prime palladium aluminum structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. there are three inequivalent Pd sites. In the first Pd site, Pd is bonded in a 7-coordinate geometry to seven Al atoms. There are a spread of Pd–Al bond distances ranging from 2.62–2.66 Å. In the second Pd site, Pd is bonded in a 7-coordinate geometry to seven Al atoms. There are a spread of Pd–Al bond distances ranging from 2.60–2.66 Å. In the third Pd site, Pd is bonded in a body-centered cubic geometry to eight Al atoms. There are six shorter (2.63 Å) and two longer (2.66 Å) Pd–Al bond lengths. There are three inequivalent Al sites. In the first Al site, Al is bonded in a 7-coordinate geometry to seven Pd atoms. In the second Al site, Al is bonded in a 7-coordinate geometry to seven Pd atoms. In the third Al site, Al is bonded in a body-centered cubic geometry to eight Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on AlPd by Materials Project

PdAl is alpha-derived structured and crystallizes in the cubic P2_13 space group. The structure is three-dimensional. Pd is bonded in a 7-coordinate geometry to seven equivalent Al atoms. There are a spread of Pd–Al bond distances ranging from 2.58–2.68 Å. Al is bonded in a 7-coordinate geometry to seven equivalent Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on AlPd by Materials Project

PdAl is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Pd is bonded in a body-centered cubic geometry to eight equivalent Al atoms. All Pd–Al bond lengths are 2.67 Å. Al is bonded in a body-centered cubic geometry to eight equivalent Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on La(AlPd)2 by Materials Project

LaPd2Al2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. La is bonded in a 8-coordinate geometry to eight Pd and eight Al atoms. There are four shorter (3.35 Å) and four longer (3.37 Å) La–Pd bond lengths. There are four shorter (3.37 Å) and four longer (3.38 Å) La–Al bond lengths. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 4-coordinate geometry to four equivalent La and four equivalent Al atoms. All Pd–Al bond lengths are 2.54 Å. In the second Pd site, Pd is bonded in a 5-coordinate geometry to four equivalent La and five Al atoms. There are one shorter (2.52 Å) and four longer (2.57 Å) Pd–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded to four equivalent La and four equivalent Pd atoms to form a mixture of distorted edge and face-sharing AlLa4Pd4 tetrahedra. In the second Al site, Al is bonded in a 5-coordinate geometry to four equivalent La and five Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CeY2(AlPd)3 by Materials Project

CeY2(PdAl)3 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Ce is bonded in a 5-coordinate geometry to five Pd and six Al atoms. There are four shorter (2.93 Å) and one longer (3.05 Å) Ce–Pd bond lengths. There are two shorter (3.23 Å) and four longer (3.33 Å) Ce–Al bond lengths. Y is bonded in a 5-coordinate geometry to five Pd and six Al atoms. There are a spread of Y–Pd bond distances ranging from 2.97–2.99 Å. There are a spread of Y–Al bond distances ranging from 3.20–3.30 Å. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 9-coordinate geometry to two equivalent Ce, four equivalent Y, and three Al atoms. There are a spread of Pd–Al bond distances ranging from 2.80–2.83 Å. In the second Pd site, Pd is bonded in a 9-coordinate geometry to one Ce, two equivalent Y, and six Al atoms. There are two shorter (2.64 Å) and four longer (2.65 Å) Pd–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 4-coordinate geometry to two equivalent Ce, four equivalent Y, and four Pd atoms. In the second Al site, Al is bonded in a 4-coordinate geometry to two equivalent Ce, four equivalent Y, and four Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ce2Y(AlPd)3 by Materials Project

Ce2Y(PdAl)3 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Ce is bonded in a 5-coordinate geometry to five Pd atoms. There are a spread of Ce–Pd bond distances ranging from 2.97–3.04 Å. Y is bonded in a 5-coordinate geometry to five Pd atoms. There are one shorter (2.98 Å) and four longer (3.01 Å) Y–Pd bond lengths. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 9-coordinate geometry to four equivalent Ce, two equivalent Y, and three Al atoms. There are one shorter (2.82 Å) and two longer (2.83 Å) Pd–Al bond lengths. In the second Pd site, Pd is bonded in a 9-coordinate geometry to two equivalent Ce, one Y, and six Al atoms. There are four shorter (2.66 Å) and two longer (2.67 Å) Pd–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 4-coordinate geometry to four Pd atoms. In the second Al site, Al is bonded in a 12-coordinate geometry to four Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ce(AlPd)2 by Materials Project

CePd2Al2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Ce is bonded in a 12-coordinate geometry to eight Pd and eight Al atoms. There are four shorter (3.28 Å) and four longer (3.38 Å) Ce–Pd bond lengths. There are four shorter (3.31 Å) and four longer (3.37 Å) Ce–Al bond lengths. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 9-coordinate geometry to four equivalent Ce and five Al atoms. There are one shorter (2.51 Å) and four longer (2.56 Å) Pd–Al bond lengths. In the second Pd site, Pd is bonded to four equivalent Ce and four equivalent Al atoms to form distorted PdCe4Al4 tetrahedra that share corners with twelve equivalent AlCe4Pd4 tetrahedra, edges with two equivalent AlCe4Pd4 tetrahedra, edges with four equivalent PdCe4Al4 tetrahedra, and faces with four equivalent PdCe4Al4 tetrahedra. All Pd–Al bond lengths are 2.52 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 5-coordinate geometry to four equivalent Ce and five Pd atoms. In the second Al site, Al is bonded to four equivalent Ce and four equivalent Pd atoms to form distorted AlCe4Pd4 tetrahedra that share corners with twelve equivalent PdCe4Al4 tetrahedra, edges with two equivalent PdCe4Al4 tetrahedra, edges with four equivalent AlCe4Pd4 tetrahedra, and faces with four equivalent AlCe4Pd4 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CeY(AlPd)2 by Materials Project

CeY(PdAl)2 crystallizes in the monoclinic Pm space group. The structure is three-dimensional. there are three inequivalent Ce sites. In the first Ce site, Ce is bonded in a 5-coordinate geometry to five Pd atoms. There are a spread of Ce–Pd bond distances ranging from 2.95–3.02 Å. In the second Ce site, Ce is bonded in a 5-coordinate geometry to five Pd atoms. There are a spread of Ce–Pd bond distances ranging from 2.95–3.03 Å. In the third Ce site, Ce is bonded in a 5-coordinate geometry to five Pd atoms. There are a spread of Ce–Pd bond distances ranging from 2.97–3.03 Å. There are three inequivalent Y sites. In the first Y site, Y is bonded in a 5-coordinate geometry to five Pd atoms. There are a spread of Y–Pd bond distances ranging from 2.99–3.01 Å. In the second Y site, Y is bonded in a 5-coordinate geometry to five Pd and six Al atoms. There are a spread of Y–Pd bond distances ranging from 2.98–3.03 Å. There are two shorter (3.23 Å) and four longer (3.31 Å) Y–Al bond lengths. In the third Y site, Y is bonded in a 5-coordinate geometry to five Pd atoms. There are three shorter (3.00 Å) and two longer (3.02 Å) Y–Pd bond lengths. There are six inequivalent Pd sites. In the first Pd site, Pd is bonded in a 9-coordinate geometry to four Ce, two equivalent Y, and three Al atoms. There are a spread of Pd–Al bond distances ranging from 2.81–2.84 Å. In the second Pd site, Pd is bonded in a 9-coordinate geometry to two equivalent Ce, four Y, and three Al atoms. There are two shorter (2.80 Å) and one longer (2.82 Å) Pd–Al bond lengths. In the third Pd site, Pd is bonded in a 9-coordinate geometry to four Ce, two equivalent Y, and three Al atoms. There are a spread of Pd–Al bond distances ranging from 2.81–2.83 Å. In the fourth Pd site, Pd is bonded in a 9-coordinate geometry to two equivalent Ce, four Y, and three Al atoms. There are a spread of Pd–Al bond distances ranging from 2.80–2.82 Å. In the fifth Pd site, Pd is bonded in a 9-coordinate geometry to two Ce, one Y, and six Al atoms. There are a spread of Pd–Al bond distances ranging from 2.66–2.69 Å. In the sixth Pd site, Pd is bonded in a 9-coordinate geometry to one Ce, two Y, and six Al atoms. There are two shorter (2.65 Å) and four longer (2.67 Å) Pd–Al bond lengths. There are six inequivalent Al sites. In the first Al site, Al is bonded in a 4-coordinate geometry to four Pd atoms. In the second Al site, Al is bonded in a 12-coordinate geometry to two equivalent Y and four Pd atoms. In the third Al site, Al is bonded in a 4-coordinate geometry to two equivalent Y and four Pd atoms. In the fourth Al site, Al is bonded in a 4-coordinate geometry to four Pd atoms. In the fifth Al site, Al is bonded in a 4-coordinate geometry to two equivalent Y and four Pd atoms. In the sixth Al site, Al is bonded in a 4-coordinate geometry to four Pd atoms.

36 MATERIALS SCIENCE↗