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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Ce2InPd2 by Materials Project

Ce2Pd2In crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Ce is bonded in a 6-coordinate geometry to six equivalent Pd and four equivalent In atoms. There are two shorter (2.89 Å) and four longer (3.07 Å) Ce–Pd bond lengths. All Ce–In bond lengths are 3.46 Å. Pd is bonded in a 9-coordinate geometry to six equivalent Ce, one Pd, and two equivalent In atoms. The Pd–Pd bond length is 2.86 Å. Both Pd–In bond lengths are 3.07 Å. In is bonded to eight equivalent Ce and four equivalent Pd atoms to form a mixture of corner and face-sharing InCe8Pd4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CeInPd by Materials Project

CePdIn crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Ce is bonded in a 11-coordinate geometry to five Pd and six equivalent In atoms. There are four shorter (3.07 Å) and one longer (3.19 Å) Ce–Pd bond lengths. There are two shorter (3.27 Å) and four longer (3.45 Å) Ce–In bond lengths. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 9-coordinate geometry to three equivalent Ce and six equivalent In atoms. All Pd–In bond lengths are 2.79 Å. In the second Pd site, Pd is bonded in a 9-coordinate geometry to six equivalent Ce and three equivalent In atoms. All Pd–In bond lengths are 2.93 Å. In is bonded in a 10-coordinate geometry to six equivalent Ce and four Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CeIn2Pd by Materials Project

CePdIn2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ce is bonded in a 1-coordinate geometry to three equivalent Pd and ten equivalent In atoms. There are one shorter (3.02 Å) and two longer (3.28 Å) Ce–Pd bond lengths. There are a spread of Ce–In bond distances ranging from 3.31–3.61 Å. Pd is bonded in a 9-coordinate geometry to three equivalent Ce and six equivalent In atoms. There are two shorter (2.82 Å) and four longer (2.87 Å) Pd–In bond lengths. In is bonded in a 3-coordinate geometry to five equivalent Ce, three equivalent Pd, and two equivalent In atoms. There are one shorter (3.00 Å) and one longer (3.02 Å) In–In bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ce2In5Pd4 by Materials Project

Ce2Pd4In5 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded in a 4-coordinate geometry to six Pd atoms. There are a spread of Ce–Pd bond distances ranging from 2.92–3.31 Å. In the second Ce site, Ce is bonded in a 4-coordinate geometry to four Pd and ten In atoms. There are two shorter (3.25 Å) and two longer (3.28 Å) Ce–Pd bond lengths. There are a spread of Ce–In bond distances ranging from 3.37–3.49 Å. There are four inequivalent Pd sites. In the first Pd site, Pd is bonded in a 9-coordinate geometry to three Ce and six In atoms. There are a spread of Pd–In bond distances ranging from 2.77–2.89 Å. In the second Pd site, Pd is bonded in a body-centered cubic geometry to one Ce and seven In atoms. There are a spread of Pd–In bond distances ranging from 2.80–2.90 Å. In the third Pd site, Pd is bonded in a 9-coordinate geometry to three Ce and six In atoms. There are a spread of Pd–In bond distances ranging from 2.74–2.97 Å. In the fourth Pd site, Pd is bonded in a distorted body-centered cubic geometry to three equivalent Ce and five In atoms. There are a spread of Pd–In bond distances ranging from 2.80–2.90 Å. There are five inequivalent In sites. In the first In site, In is bonded in a 6-coordinate geometry to one Ce and six Pd atoms. In the second In site, In is bonded in a 8-coordinate geometry to two equivalent Ce and six Pd atoms. In the third In site, In is bonded in a 3-coordinate geometry to three equivalent Ce and three equivalent Pd atoms. In the fourth In site, In is bonded in a 6-coordinate geometry to one Ce and six Pd atoms. In the fifth In site, In is bonded in a 3-coordinate geometry to three equivalent Ce and three equivalent Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ce(In2Pd)2 by Materials Project

CePd2In4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ce is bonded in a 11-coordinate geometry to four Pd and ten In atoms. There are two shorter (3.25 Å) and two longer (3.36 Å) Ce–Pd bond lengths. There are a spread of Ce–In bond distances ranging from 3.25–3.69 Å. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 9-coordinate geometry to two equivalent Ce and seven In atoms. There are a spread of Pd–In bond distances ranging from 2.74–3.06 Å. In the second Pd site, Pd is bonded in a 9-coordinate geometry to two equivalent Ce and seven In atoms. There are a spread of Pd–In bond distances ranging from 2.72–2.80 Å. There are four inequivalent In sites. In the first In site, In is bonded in a 3-coordinate geometry to three equivalent Ce and three equivalent Pd atoms. In the second In site, In is bonded in a 4-coordinate geometry to one Ce and four Pd atoms. In the third In site, In is bonded in a 4-coordinate geometry to three equivalent Ce and four Pd atoms. In the fourth In site, In is bonded in a 3-coordinate geometry to three equivalent Ce and three equivalent Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CeIn4Pd by Materials Project

CePdIn4 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ce is bonded in a 1-coordinate geometry to two equivalent Pd and thirteen In atoms. Both Ce–Pd bond lengths are 3.55 Å. There are a spread of Ce–In bond distances ranging from 3.18–3.77 Å. Pd is bonded in a 7-coordinate geometry to two equivalent Ce and seven In atoms. There are a spread of Pd–In bond distances ranging from 2.68–2.84 Å. There are three inequivalent In sites. In the first In site, In is bonded in a distorted q6 geometry to four equivalent Ce and six In atoms. There are two shorter (3.15 Å) and four longer (3.17 Å) In–In bond lengths. In the second In site, In is bonded in a 3-coordinate geometry to three equivalent Ce, three equivalent Pd, and one In atom. In the third In site, In is bonded in a distorted linear geometry to three equivalent Ce, one Pd, and four equivalent In atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CeIn2Pd3 by Materials Project

CePd3In2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ce is bonded in a 1-coordinate geometry to nine Pd and one In atom. There are a spread of Ce–Pd bond distances ranging from 2.94–3.47 Å. The Ce–In bond length is 3.28 Å. There are three inequivalent Pd sites. In the first Pd site, Pd is bonded in a 10-coordinate geometry to three equivalent Ce, two equivalent Pd, and five In atoms. Both Pd–Pd bond lengths are 2.88 Å. There are a spread of Pd–In bond distances ranging from 2.75–3.01 Å. In the second Pd site, Pd is bonded in a 11-coordinate geometry to three equivalent Ce, four Pd, and four In atoms. There are one shorter (2.84 Å) and one longer (3.07 Å) Pd–Pd bond lengths. There are a spread of Pd–In bond distances ranging from 2.76–3.06 Å. In the third Pd site, Pd is bonded in a 8-coordinate geometry to three equivalent Ce, two equivalent Pd, and four In atoms. There are a spread of Pd–In bond distances ranging from 2.75–2.82 Å. There are two inequivalent In sites. In the first In site, In is bonded in a 5-coordinate geometry to six Pd atoms. In the second In site, In is bonded in a 8-coordinate geometry to one Ce and seven Pd atoms.

36 MATERIALS SCIENCE↗