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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Ce2InPt2 by Materials Project

Ce2Pt2In crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Ce is bonded in a 6-coordinate geometry to six equivalent Pt and four equivalent In atoms. There are two shorter (2.88 Å) and four longer (3.06 Å) Ce–Pt bond lengths. All Ce–In bond lengths are 3.46 Å. Pt is bonded in a 9-coordinate geometry to six equivalent Ce, one Pt, and two equivalent In atoms. The Pt–Pt bond length is 2.91 Å. Both Pt–In bond lengths are 3.08 Å. In is bonded to eight equivalent Ce and four equivalent Pt atoms to form a mixture of corner and face-sharing InCe8Pt4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ce(InPt)2 by Materials Project

CePt2In2 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 1-coordinate geometry to five Pt and nine In atoms. There are a spread of Ce–Pt bond distances ranging from 2.92–3.23 Å. There are a spread of Ce–In bond distances ranging from 3.33–3.57 Å. In the second Ce site, Ce is bonded in a 7-coordinate geometry to seven Pt atoms. There are a spread of Ce–Pt bond distances ranging from 2.95–3.22 Å. There are four inequivalent Pt sites. In the first Pt site, Pt is bonded in a 10-coordinate geometry to two equivalent Ce and six In atoms. There are four shorter (2.82 Å) and two longer (2.95 Å) Pt–In bond lengths. In the second Pt site, Pt is bonded in a 10-coordinate geometry to three Ce and five In atoms. There are a spread of Pt–In bond distances ranging from 2.87–2.96 Å. In the third Pt site, Pt is bonded in a 9-coordinate geometry to four Ce and five In atoms. There are a spread of Pt–In bond distances ranging from 2.71–2.83 Å. In the fourth Pt site, Pt is bonded in a 10-coordinate geometry to three equivalent Ce and three equivalent In atoms. There are two shorter (2.81 Å) and one longer (2.84 Å) Pt–In bond lengths. There are four inequivalent In sites. In the first In site, In is bonded in a 4-coordinate geometry to two equivalent Ce and four Pt atoms. In the second In site, In is bonded in a 4-coordinate geometry to three equivalent Ce and four Pt atoms. In the third In site, In is bonded in a 5-coordinate geometry to three equivalent Ce and five Pt atoms. In the fourth In site, In is bonded in a 6-coordinate geometry to one Ce and six Pt atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CeInPt by Materials Project

CePtIn crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Ce is bonded in a 11-coordinate geometry to five Pt and six equivalent In atoms. There are four shorter (3.07 Å) and one longer (3.15 Å) Ce–Pt bond lengths. There are two shorter (3.27 Å) and four longer (3.42 Å) Ce–In bond lengths. There are two inequivalent Pt sites. In the first Pt site, Pt is bonded in a 9-coordinate geometry to three equivalent Ce and six equivalent In atoms. All Pt–In bond lengths are 2.80 Å. In the second Pt site, Pt is bonded in a 9-coordinate geometry to six equivalent Ce and three equivalent In atoms. All Pt–In bond lengths are 2.91 Å. In is bonded in a 4-coordinate geometry to six equivalent Ce and four Pt atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ce6In14Pt11 by Materials Project

Ce6Pt11In14 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are six inequivalent Ce sites. In the first Ce site, Ce is bonded in a 4-coordinate geometry to two equivalent Ce, six Pt, and seven In atoms. There are one shorter (3.50 Å) and one longer (3.51 Å) Ce–Ce bond lengths. There are a spread of Ce–Pt bond distances ranging from 3.09–3.48 Å. There are a spread of Ce–In bond distances ranging from 3.23–3.76 Å. In the second Ce site, Ce is bonded in a 4-coordinate geometry to six Pt and one In atom. There are a spread of Ce–Pt bond distances ranging from 3.08–3.43 Å. The Ce–In bond length is 3.22 Å. In the third Ce site, Ce is bonded in a 1-coordinate geometry to five Pt and two equivalent In atoms. There are a spread of Ce–Pt bond distances ranging from 2.99–3.30 Å. There are one shorter (3.30 Å) and one longer (3.31 Å) Ce–In bond lengths. In the fourth Ce site, Ce is bonded in a 1-coordinate geometry to five Pt and nine In atoms. There are a spread of Ce–Pt bond distances ranging from 3.02–3.31 Å. There are a spread of Ce–In bond distances ranging from 3.28–3.69 Å. In the fifth Ce site, Ce is bonded in a 4-coordinate geometry to two equivalent Ce and five Pt atoms. There are a spread of Ce–Pt bond distances ranging from 2.83–3.21 Å. In the sixth Ce site, Ce is bonded in a 4-coordinate geometry to five Pt atoms. There are a spread of Ce–Pt bond distances ranging from 2.82–3.25 Å. There are eleven inequivalent Pt sites. In the first Pt site, Pt is bonded in a 9-coordinate geometry to four Ce and five In atoms. There are a spread of Pt–In bond distances ranging from 2.79–2.89 Å. In the second Pt site, Pt is bonded in a 9-coordinate geometry to two equivalent Ce and seven In atoms. There are a spread of Pt–In bond distances ranging from 2.74–2.97 Å. In the third Pt site, Pt is bonded in a 10-coordinate geometry to two equivalent Ce, one Pt, and seven In atoms. The Pt–Pt bond length is 2.79 Å. There are a spread of Pt–In bond distances ranging from 2.77–3.02 Å. In the fourth Pt site, Pt is bonded in a 9-coordinate geometry to three Ce and six In atoms. There are a spread of Pt–In bond distances ranging from 2.83–2.98 Å. In the fifth Pt site, Pt is bonded in a 10-coordinate geometry to four Ce, two Pt, and four In atoms. The Pt–Pt bond length is 2.77 Å. There are a spread of Pt–In bond distances ranging from 2.87–3.08 Å. In the sixth Pt site, Pt is bonded in a 9-coordinate geometry to four Ce and five In atoms. There are a spread of Pt–In bond distances ranging from 2.80–2.90 Å. In the seventh Pt site, Pt is bonded in a 10-coordinate geometry to two equivalent Ce, one Pt, and seven In atoms. The Pt–Pt bond length is 2.78 Å. There are a spread of Pt–In bond distances ranging from 2.78–2.99 Å. In the eighth Pt site, Pt is bonded in a 10-coordinate geometry to four Ce, two Pt, and four In atoms. The Pt–Pt bond length is 2.77 Å. There are a spread of Pt–In bond distances ranging from 2.87–3.10 Å. In the ninth Pt site, Pt is bonded in a 9-coordinate geometry to three Ce and six In atoms. There are a spread of Pt–In bond distances ranging from 2.82–2.96 Å. In the tenth Pt site, Pt is bonded in a 8-coordinate geometry to two Ce, two Pt, and four In atoms. There are a spread of Pt–In bond distances ranging from 2.76–2.78 Å. In the eleventh Pt site, Pt is bonded in a 9-coordinate geometry to two equivalent Ce and seven In atoms. There are a spread of Pt–In bond distances ranging from 2.73–2.95 Å. There are fourteen inequivalent In sites. In the first In site, In is bonded in a 4-coordinate geometry to one Ce and four Pt atoms. In the second In site, In is bonded in a 4-coordinate geometry to four Pt atoms. In the third In site, In is bonded in a 5-coordinate geometry to five Pt atoms. In the fourth In site, In is bonded in a 3-coordinate geometry to three Ce and five Pt atoms. In the fifth In site, In is bonded in a 12-coordinate geometry to three Ce and five Pt atoms. In the sixth In site, In is bonded in a 4-coordinate geometry to one Ce and four Pt atoms. In the seventh In site, In is bonded in a 12-coordinate geometry to five Pt atoms. In the eighth In site, In is bonded in a 3-coordinate geometry to three Ce and five Pt atoms. In the ninth In site, In is bonded in a 4-coordinate geometry to two equivalent Ce and four Pt atoms. In the tenth In site, In is bonded in a 5-coordinate geometry to two Ce and five Pt atoms. In the eleventh In site, In is bonded in a 4-coordinate geometry to two equivalent Ce and four Pt atoms. In the twelfth In site, In is bonded in a 4-coordinate geometry to four Pt atoms. In the thirteenth In site, In is bonded in a 4-coordinate geometry to one Ce and four Pt atoms. In the fourteenth In site, In is bonded in a 4-coordinate geometry to one Ce and four Pt atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ce5(In2Pt)2 by Materials Project

Ce5(PtIn2)2 crystallizes in the monoclinic Pm space group. The structure is three-dimensional. there are ten inequivalent Ce sites. In the first Ce site, Ce is bonded in a 8-coordinate geometry to two equivalent Pt and six In atoms. Both Ce–Pt bond lengths are 2.99 Å. There are a spread of Ce–In bond distances ranging from 3.35–3.41 Å. In the second Ce site, Ce is bonded in a 4-coordinate geometry to four Pt and six In atoms. There are two shorter (3.02 Å) and two longer (3.04 Å) Ce–Pt bond lengths. There are four shorter (3.42 Å) and two longer (3.45 Å) Ce–In bond lengths. In the third Ce site, Ce is bonded in a 4-coordinate geometry to four Pt and six In atoms. There are two shorter (3.02 Å) and two longer (3.03 Å) Ce–Pt bond lengths. There are four shorter (3.42 Å) and two longer (3.45 Å) Ce–In bond lengths. In the fourth Ce site, Ce is bonded in a 8-coordinate geometry to two equivalent Pt and six In atoms. Both Ce–Pt bond lengths are 2.99 Å. There are a spread of Ce–In bond distances ranging from 3.35–3.41 Å. In the fifth Ce site, Ce is bonded in a 8-coordinate geometry to two equivalent Pt and six In atoms. Both Ce–Pt bond lengths are 2.99 Å. There are a spread of Ce–In bond distances ranging from 3.33–3.43 Å. In the sixth Ce site, Ce is bonded in a distorted body-centered cubic geometry to eight In atoms. There are a spread of Ce–In bond distances ranging from 3.29–3.39 Å. In the seventh Ce site, Ce is bonded in a 8-coordinate geometry to two equivalent Pt and six In atoms. Both Ce–Pt bond lengths are 2.98 Å. There are a spread of Ce–In bond distances ranging from 3.33–3.43 Å. In the eighth Ce site, Ce is bonded in a 4-coordinate geometry to four Pt and six In atoms. There are two shorter (3.02 Å) and two longer (3.03 Å) Ce–Pt bond lengths. There are a spread of Ce–In bond distances ranging from 3.42–3.46 Å. In the ninth Ce site, Ce is bonded in a 8-coordinate geometry to eight In atoms. There are four shorter (3.30 Å) and four longer (3.37 Å) Ce–In bond lengths. In the tenth Ce site, Ce is bonded in a 4-coordinate geometry to four Pt and six In atoms. There are two shorter (3.01 Å) and two longer (3.02 Å) Ce–Pt bond lengths. There are a spread of Ce–In bond distances ranging from 3.42–3.46 Å. There are four inequivalent Pt sites. In the first Pt site, Pt is bonded in a 8-coordinate geometry to six Ce and three In atoms. There are a spread of Pt–In bond distances ranging from 2.97–3.45 Å. In the second Pt site, Pt is bonded in a 8-coordinate geometry to six Ce and three In atoms. There are two shorter (2.98 Å) and one longer (3.46 Å) Pt–In bond lengths. In the third Pt site, Pt is bonded in a 8-coordinate geometry to six Ce and three In atoms. There are two shorter (2.98 Å) and one longer (3.45 Å) Pt–In bond lengths. In the fourth Pt site, Pt is bonded in a 8-coordinate geometry to six Ce and three In atoms. There are a spread of Pt–In bond distances ranging from 2.97–3.45 Å. There are eight inequivalent In sites. In the first In site, In is bonded in a 11-coordinate geometry to eight Ce, two Pt, and one In atom. The In–In bond length is 3.24 Å. In the second In site, In is bonded in a 11-coordinate geometry to eight Ce, two Pt, and one In atom. The In–In bond length is 3.24 Å. In the third In site, In is bonded in a 10-coordinate geometry to eight Ce, one Pt, and one In atom. The In–In bond length is 3.27 Å. In the fourth In site, In is bonded in a 10-coordinate geometry to eight Ce, one Pt, and one In atom. The In–In bond length is 3.27 Å. In the fifth In site, In is bonded in a 10-coordinate geometry to eight Ce, one Pt, and one In atom. In the sixth In site, In is bonded in a 11-coordinate geometry to eight Ce, two Pt, and one In atom. In the seventh In site, In is bonded in a 11-coordinate geometry to eight Ce, two Pt, and one In atom. In the eighth In site, In is bonded in a 10-coordinate geometry to eight Ce, one Pt, and one In atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CeIn3Pt by Materials Project

CePtIn3 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded in a cuboctahedral geometry to twelve equivalent In atoms. All Ce–In bond lengths are 3.48 Å. In the second Ce site, Ce is bonded in a 8-coordinate geometry to four equivalent Pt and twelve equivalent In atoms. All Ce–Pt bond lengths are 3.48 Å. There are eight shorter (3.38 Å) and four longer (3.49 Å) Ce–In bond lengths. Pt is bonded in a 6-coordinate geometry to three equivalent Ce and six equivalent In atoms. All Pt–In bond lengths are 2.73 Å. In is bonded in a 2-coordinate geometry to four Ce and two equivalent Pt atoms.

36 MATERIALS SCIENCE↗