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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on CeNiSn by Materials Project

CeNiSn crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ce is bonded in a 1-coordinate geometry to six equivalent Ni and six equivalent Sn atoms. There are a spread of Ce–Ni bond distances ranging from 2.94–3.42 Å. There are a spread of Ce–Sn bond distances ranging from 3.17–3.32 Å. Ni is bonded in a 10-coordinate geometry to six equivalent Ce and four equivalent Sn atoms. There are a spread of Ni–Sn bond distances ranging from 2.63–2.85 Å. Sn is bonded in a 10-coordinate geometry to six equivalent Ce and four equivalent Ni atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ce2Ni2Sn by Materials Project

Ce2Ni2Sn crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Ce is bonded in a 10-coordinate geometry to six equivalent Ni and four equivalent Sn atoms. There are two shorter (2.95 Å) and four longer (2.99 Å) Ce–Ni bond lengths. There are two shorter (3.26 Å) and two longer (3.34 Å) Ce–Sn bond lengths. Ni is bonded in a 9-coordinate geometry to six equivalent Ce, one Ni, and two equivalent Sn atoms. The Ni–Ni bond length is 2.46 Å. Both Ni–Sn bond lengths are 2.75 Å. Sn is bonded to eight equivalent Ce and four equivalent Ni atoms to form a mixture of edge and face-sharing SnCe8Ni4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ce(Ni2Sn)2 by Materials Project

Ce(Ni2Sn)2 crystallizes in the tetragonal I-4c2 space group. The structure is three-dimensional. Ce is bonded in a 8-coordinate geometry to eight equivalent Ni and eight equivalent Sn atoms. There are four shorter (2.75 Å) and four longer (2.88 Å) Ce–Ni bond lengths. All Ce–Sn bond lengths are 3.28 Å. Ni is bonded in a 10-coordinate geometry to two equivalent Ce, four equivalent Ni, and four equivalent Sn atoms. There are two shorter (2.38 Å) and two longer (2.52 Å) Ni–Ni bond lengths. There are a spread of Ni–Sn bond distances ranging from 2.39–2.53 Å. Sn is bonded in a 12-coordinate geometry to four equivalent Ce and eight equivalent Ni atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ce(Ni2Sn)2 by Materials Project

Ce(Ni2Sn)2 crystallizes in the tetragonal I-4c2 space group. The structure is three-dimensional. Ce is bonded in a 8-coordinate geometry to eight equivalent Ni and eight equivalent Sn atoms. There are four shorter (3.00 Å) and four longer (3.04 Å) Ce–Ni bond lengths. All Ce–Sn bond lengths are 3.50 Å. Ni is bonded in a 10-coordinate geometry to two equivalent Ce, four equivalent Ni, and four equivalent Sn atoms. There are a spread of Ni–Ni bond distances ranging from 2.53–2.73 Å. There are a spread of Ni–Sn bond distances ranging from 2.54–2.68 Å. Sn is bonded in a 12-coordinate geometry to four equivalent Ce and eight equivalent Ni atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ce3Ni2Sn7 by Materials Project

Ce3Ni2Sn7 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded in a 12-coordinate geometry to two equivalent Ni and twelve Sn atoms. Both Ce–Ni bond lengths are 3.48 Å. There are a spread of Ce–Sn bond distances ranging from 3.26–3.35 Å. In the second Ce site, Ce is bonded in a 10-coordinate geometry to four equivalent Ni and ten Sn atoms. All Ce–Ni bond lengths are 3.62 Å. There are a spread of Ce–Sn bond distances ranging from 3.38–3.51 Å. Ni is bonded in a 5-coordinate geometry to five Ce and five Sn atoms. There are a spread of Ni–Sn bond distances ranging from 2.48–2.54 Å. There are four inequivalent Sn sites. In the first Sn site, Sn is bonded in a distorted square co-planar geometry to four equivalent Ce atoms. In the second Sn site, Sn is bonded in a 12-coordinate geometry to four Ce and two equivalent Ni atoms. In the third Sn site, Sn is bonded in a 12-coordinate geometry to four Ce and two equivalent Ni atoms. In the fourth Sn site, Sn is bonded in a 9-coordinate geometry to six equivalent Ce, one Ni, and two equivalent Sn atoms. Both Sn–Sn bond lengths are 2.88 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CeNi5Sn by Materials Project

CeNi5Sn crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded in a 6-coordinate geometry to eighteen Ni and two Sn atoms. There are six shorter (2.82 Å) and twelve longer (3.19 Å) Ce–Ni bond lengths. Both Ce–Sn bond lengths are 3.19 Å. In the second Ce site, Ce is bonded in a 6-coordinate geometry to twelve Ni and six Sn atoms. There are six shorter (2.94 Å) and six longer (3.19 Å) Ce–Ni bond lengths. All Ce–Sn bond lengths are 3.31 Å. There are four inequivalent Ni sites. In the first Ni site, Ni is bonded to three Ce, seven Ni, and two equivalent Sn atoms to form a mixture of corner, edge, and face-sharing NiCe3Ni7Sn2 cuboctahedra. There are a spread of Ni–Ni bond distances ranging from 2.43–2.49 Å. Both Ni–Sn bond lengths are 2.69 Å. In the second Ni site, Ni is bonded in a 10-coordinate geometry to three equivalent Ce, three equivalent Ni, and four equivalent Sn atoms. There are one shorter (2.56 Å) and three longer (2.96 Å) Ni–Sn bond lengths. In the third Ni site, Ni is bonded in a 12-coordinate geometry to three equivalent Ce and nine Ni atoms. All Ni–Ni bond lengths are 2.82 Å. In the fourth Ni site, Ni is bonded in a 12-coordinate geometry to three equivalent Ce and nine Ni atoms. There are three inequivalent Sn sites. In the first Sn site, Sn is bonded in a 1-coordinate geometry to four Ce and ten Ni atoms. All Sn–Ce bond lengths are 3.31 Å. All Sn–Ni bond lengths are 2.69 Å. In the second Sn site, Sn is bonded in a 1-coordinate geometry to four Ce and ten Ni atoms. The Sn–Ce bond length is 3.19 Å. There are one shorter (2.56 Å) and three longer (2.96 Å) Sn–Ni bond lengths. In the third Sn site, Sn is bonded in a 1-coordinate geometry to four Ce and ten Ni atoms. There are a spread of Sn–Ni bond distances ranging from 2.56–2.96 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CeNiSn2 by Materials Project

CeNiSn2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ce is bonded in a 6-coordinate geometry to four equivalent Ni and ten Sn atoms. All Ce–Ni bond lengths are 3.43 Å. There are a spread of Ce–Sn bond distances ranging from 3.36–3.59 Å. Ni is bonded in a 9-coordinate geometry to four equivalent Ce and five Sn atoms. There are a spread of Ni–Sn bond distances ranging from 2.45–2.58 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 1-coordinate geometry to six equivalent Ce, one Ni, and two equivalent Sn atoms. Both Sn–Sn bond lengths are 2.82 Å. In the second Sn site, Sn is bonded in a 12-coordinate geometry to four equivalent Ce and four equivalent Ni atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CeNiSn by Materials Project

CeNiSn is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ce is bonded to six equivalent Ni and six equivalent Sn atoms to form a mixture of face and edge-sharing CeNi6Sn6 cuboctahedra. All Ce–Ni bond lengths are 3.22 Å. All Ce–Sn bond lengths are 3.22 Å. Ni is bonded in a 9-coordinate geometry to six equivalent Ce and three equivalent Sn atoms. All Ni–Sn bond lengths are 2.57 Å. Sn is bonded in a 9-coordinate geometry to six equivalent Ce and three equivalent Ni atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ce2NiSn4 by Materials Project

Ce2NiSn4 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded in a 10-coordinate geometry to ten Sn atoms. There are a spread of Ce–Sn bond distances ranging from 3.25–3.42 Å. In the second Ce site, Ce is bonded in a 4-coordinate geometry to four equivalent Ni and ten Sn atoms. All Ce–Ni bond lengths are 3.52 Å. There are a spread of Ce–Sn bond distances ranging from 3.35–3.69 Å. Ni is bonded in a 5-coordinate geometry to four equivalent Ce and five Sn atoms. There are one shorter (2.49 Å) and four longer (2.55 Å) Ni–Sn bond lengths. There are four inequivalent Sn sites. In the first Sn site, Sn is bonded in a 10-coordinate geometry to four Ce, two equivalent Ni, and four equivalent Sn atoms. All Sn–Sn bond lengths are 3.19 Å. In the second Sn site, Sn is bonded in a 10-coordinate geometry to four Ce, two equivalent Ni, and four equivalent Sn atoms. In the third Sn site, Sn is bonded in a 9-coordinate geometry to six Ce, one Ni, and two equivalent Sn atoms. Both Sn–Sn bond lengths are 2.95 Å. In the fourth Sn site, Sn is bonded in a 4-coordinate geometry to six Ce and two equivalent Sn atoms.

36 MATERIALS SCIENCE↗