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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on CeInNi by Materials Project

CeNiIn crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Ce is bonded in a 11-coordinate geometry to five Ni and six equivalent In atoms. There are four shorter (2.99 Å) and one longer (3.05 Å) Ce–Ni bond lengths. There are two shorter (3.19 Å) and four longer (3.33 Å) Ce–In bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 9-coordinate geometry to six equivalent Ce and three equivalent In atoms. All Ni–In bond lengths are 2.81 Å. In the second Ni site, Ni is bonded in a 9-coordinate geometry to three equivalent Ce and six equivalent In atoms. All Ni–In bond lengths are 2.71 Å. In is bonded in a 12-coordinate geometry to six equivalent Ce and four Ni atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ce4In8Ni7 by Materials Project

Ce4Ni7In8 is beta Plutonium-derived structured and crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. there are three inequivalent Ce sites. In the first Ce site, Ce is bonded in a 1-coordinate geometry to three Ni and ten In atoms. There are one shorter (2.70 Å) and two longer (3.10 Å) Ce–Ni bond lengths. There are a spread of Ce–In bond distances ranging from 3.29–3.53 Å. In the second Ce site, Ce is bonded in a 6-coordinate geometry to ten Ni and eight In atoms. There are a spread of Ce–Ni bond distances ranging from 3.01–3.32 Å. There are a spread of Ce–In bond distances ranging from 3.26–3.59 Å. In the third Ce site, Ce is bonded in a 8-coordinate geometry to six Ni and six In atoms. There are two shorter (2.64 Å) and four longer (3.46 Å) Ce–Ni bond lengths. There are four shorter (3.39 Å) and two longer (3.53 Å) Ce–In bond lengths. There are four inequivalent Ni sites. In the first Ni site, Ni is bonded in a 1-coordinate geometry to three Ce, four Ni, and three In atoms. There are a spread of Ni–Ni bond distances ranging from 2.42–2.59 Å. There are one shorter (2.53 Å) and two longer (2.64 Å) Ni–In bond lengths. In the second Ni site, Ni is bonded in a 10-coordinate geometry to two equivalent Ce, four equivalent Ni, and four In atoms. There are two shorter (2.75 Å) and two longer (2.78 Å) Ni–In bond lengths. In the third Ni site, Ni is bonded in a 9-coordinate geometry to three Ce, one Ni, and five In atoms. There are a spread of Ni–In bond distances ranging from 2.63–2.87 Å. In the fourth Ni site, Ni is bonded in a 10-coordinate geometry to four Ce, one Ni, and five In atoms. The Ni–Ni bond length is 2.83 Å. There are a spread of Ni–In bond distances ranging from 2.58–2.70 Å. There are seven inequivalent In sites. In the first In site, In is bonded in a 12-coordinate geometry to five Ce, six Ni, and one In atom. The In–In bond length is 3.10 Å. In the second In site, In is bonded in a 12-coordinate geometry to five Ce, two equivalent Ni, and five In atoms. There are a spread of In–In bond distances ranging from 3.04–3.20 Å. In the third In site, In is bonded in a distorted water-like geometry to four Ce, two equivalent Ni, and four equivalent In atoms. In the fourth In site, In is bonded in a 12-coordinate geometry to two equivalent Ce, four equivalent Ni, and two equivalent In atoms. Both In–In bond lengths are 3.00 Å. In the fifth In site, In is bonded in a 12-coordinate geometry to four equivalent Ce, two equivalent Ni, and two equivalent In atoms. In the sixth In site, In is bonded to four equivalent Ce, four equivalent Ni, and four equivalent In atoms to form distorted face-sharing InCe4In4Ni4 cuboctahedra. In the seventh In site, In is bonded to four equivalent Ce and eight Ni atoms to form distorted face-sharing InCe4Ni8 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ce2InNi2 by Materials Project

Ce2Ni2In crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Ce is bonded in a 6-coordinate geometry to six equivalent Ni and four equivalent In atoms. There are two shorter (2.81 Å) and four longer (2.93 Å) Ce–Ni bond lengths. All Ce–In bond lengths are 3.33 Å. Ni is bonded in a 9-coordinate geometry to six equivalent Ce, one Ni, and two equivalent In atoms. The Ni–Ni bond length is 2.67 Å. Both Ni–In bond lengths are 2.98 Å. In is bonded to eight equivalent Ce and four equivalent Ni atoms to form a mixture of corner and face-sharing InCe8Ni4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CeInNi4 by Materials Project

CeNi4In crystallizes in the cubic F-43m space group. The structure is three-dimensional. Ce is bonded in a 12-coordinate geometry to twelve equivalent Ni and four equivalent In atoms. All Ce–Ni bond lengths are 2.93 Å. All Ce–In bond lengths are 3.06 Å. Ni is bonded to three equivalent Ce, six equivalent Ni, and three equivalent In atoms to form a mixture of corner, edge, and face-sharing NiCe3In3Ni6 cuboctahedra. There are three shorter (2.48 Å) and three longer (2.52 Å) Ni–Ni bond lengths. All Ni–In bond lengths are 2.93 Å. In is bonded in a 4-coordinate geometry to four equivalent Ce and twelve equivalent Ni atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ce11In9Ni4 by Materials Project

Ce11Ni4In9 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. there are five inequivalent Ce sites. In the first Ce site, Ce is bonded in a 8-coordinate geometry to two equivalent Ni and six In atoms. Both Ce–Ni bond lengths are 2.90 Å. There are a spread of Ce–In bond distances ranging from 3.18–3.40 Å. In the second Ce site, Ce is bonded in a 8-coordinate geometry to eight In atoms. There are four shorter (3.35 Å) and four longer (3.43 Å) Ce–In bond lengths. In the third Ce site, Ce is bonded in a 10-coordinate geometry to four equivalent Ni and six In atoms. All Ce–Ni bond lengths are 2.89 Å. There are two shorter (3.27 Å) and four longer (3.37 Å) Ce–In bond lengths. In the fourth Ce site, Ce is bonded in a 10-coordinate geometry to four equivalent Ni and six In atoms. All Ce–Ni bond lengths are 2.89 Å. There are two shorter (3.28 Å) and four longer (3.35 Å) Ce–In bond lengths. In the fifth Ce site, Ce is bonded in a 8-coordinate geometry to eight equivalent In atoms. All Ce–In bond lengths are 3.25 Å. Ni is bonded in a 9-coordinate geometry to six Ce and three In atoms. There are a spread of Ni–In bond distances ranging from 2.97–3.05 Å. There are three inequivalent In sites. In the first In site, In is bonded in a 10-coordinate geometry to eight Ce, one Ni, and one In atom. The In–In bond length is 2.99 Å. In the second In site, In is bonded in a 10-coordinate geometry to eight Ce, one Ni, and one In atom. The In–In bond length is 3.03 Å. In the third In site, In is bonded to eight Ce and four equivalent Ni atoms to form face-sharing InCe8Ni4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CeIn4Ni by Materials Project

CeNiIn4 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ce is bonded in a 9-coordinate geometry to two equivalent Ni and thirteen In atoms. Both Ce–Ni bond lengths are 3.48 Å. There are a spread of Ce–In bond distances ranging from 3.22–3.67 Å. Ni is bonded in a 9-coordinate geometry to two equivalent Ce and seven In atoms. There are a spread of Ni–In bond distances ranging from 2.55–2.76 Å. There are three inequivalent In sites. In the first In site, In is bonded in a 10-coordinate geometry to four equivalent Ce and six In atoms. There are four shorter (3.14 Å) and two longer (3.19 Å) In–In bond lengths. In the second In site, In is bonded in a 2-coordinate geometry to three equivalent Ce, one Ni, and four equivalent In atoms. In the third In site, In is bonded in a 12-coordinate geometry to three equivalent Ce, three equivalent Ni, and one In atom.

36 MATERIALS SCIENCE↗