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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Ce(Sn3Ru2)2 by Materials Project

CeRu4Sn6 crystallizes in the tetragonal I-42m space group. The structure is three-dimensional. Ce is bonded in a 12-coordinate geometry to four equivalent Ru and twelve Sn atoms. All Ce–Ru bond lengths are 3.27 Å. There are a spread of Ce–Sn bond distances ranging from 3.38–3.78 Å. Ru is bonded in a 7-coordinate geometry to one Ce and six Sn atoms. There are a spread of Ru–Sn bond distances ranging from 2.61–2.78 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 6-coordinate geometry to two equivalent Ce and four equivalent Ru atoms. In the second Sn site, Sn is bonded in a 5-coordinate geometry to two equivalent Ce and four equivalent Ru atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CeSnRu by Materials Project

CeRuSn crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are four inequivalent Ce sites. In the first Ce site, Ce is bonded in a distorted bent 150 degrees geometry to two Ru and seven Sn atoms. There are one shorter (2.53 Å) and one longer (2.70 Å) Ce–Ru bond lengths. There are a spread of Ce–Sn bond distances ranging from 3.45–3.52 Å. In the second Ce site, Ce is bonded in a distorted bent 150 degrees geometry to two Ru and seven Sn atoms. There are one shorter (2.55 Å) and one longer (2.69 Å) Ce–Ru bond lengths. There are a spread of Ce–Sn bond distances ranging from 3.46–3.52 Å. In the third Ce site, Ce is bonded in a distorted bent 150 degrees geometry to two Ru and seven Sn atoms. There are one shorter (2.45 Å) and one longer (2.63 Å) Ce–Ru bond lengths. There are a spread of Ce–Sn bond distances ranging from 3.46–3.57 Å. In the fourth Ce site, Ce is bonded in a distorted bent 150 degrees geometry to two Ru and seven Sn atoms. There are one shorter (2.44 Å) and one longer (2.63 Å) Ce–Ru bond lengths. There are a spread of Ce–Sn bond distances ranging from 3.46–3.57 Å. There are four inequivalent Ru sites. In the first Ru site, Ru is bonded in a 2-coordinate geometry to two Ce and three Sn atoms. There are two shorter (2.69 Å) and one longer (2.86 Å) Ru–Sn bond lengths. In the second Ru site, Ru is bonded in a 2-coordinate geometry to two Ce and three Sn atoms. There are two shorter (2.68 Å) and one longer (2.84 Å) Ru–Sn bond lengths. In the third Ru site, Ru is bonded in a 2-coordinate geometry to two Ce and three Sn atoms. There are two shorter (2.70 Å) and one longer (2.87 Å) Ru–Sn bond lengths. In the fourth Ru site, Ru is bonded in a 2-coordinate geometry to two Ce and three Sn atoms. There are two shorter (2.68 Å) and one longer (2.84 Å) Ru–Sn bond lengths. There are four inequivalent Sn sites. In the first Sn site, Sn is bonded in a 12-coordinate geometry to seven Ce, three Ru, and two Sn atoms. There are one shorter (3.09 Å) and one longer (3.22 Å) Sn–Sn bond lengths. In the second Sn site, Sn is bonded in a 12-coordinate geometry to seven Ce, three Ru, and two Sn atoms. There are one shorter (3.09 Å) and one longer (3.27 Å) Sn–Sn bond lengths. In the third Sn site, Sn is bonded in a 12-coordinate geometry to seven Ce, three Ru, and two Sn atoms. In the fourth Sn site, Sn is bonded in a 12-coordinate geometry to seven Ce, three Ru, and two Sn atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ce3Sn13Ru4 by Materials Project

Ce3Ru4Sn13 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. Ce is bonded in a 12-coordinate geometry to four equivalent Ru and twelve equivalent Sn atoms. All Ce–Ru bond lengths are 3.46 Å. There are four shorter (3.43 Å) and eight longer (3.46 Å) Ce–Sn bond lengths. Ru is bonded in a 6-coordinate geometry to three equivalent Ce and six equivalent Sn atoms. All Ru–Sn bond lengths are 2.67 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 2-coordinate geometry to three equivalent Ce, two equivalent Ru, and one Sn atom. The Sn–Sn bond length is 3.33 Å. In the second Sn site, Sn is bonded in a cuboctahedral geometry to twelve equivalent Sn atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CeSn3Ru by Materials Project

CeRuSn3 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 12-coordinate geometry to four equivalent Ru and twelve equivalent Sn atoms. All Ce–Ru bond lengths are 3.48 Å. There are eight shorter (3.41 Å) and four longer (3.45 Å) Ce–Sn bond lengths. In the second Ce site, Ce is bonded in a cuboctahedral geometry to twelve equivalent Sn atoms. All Ce–Sn bond lengths are 3.48 Å. Ru is bonded in a 6-coordinate geometry to three equivalent Ce and six equivalent Sn atoms. All Ru–Sn bond lengths are 2.71 Å. Sn is bonded in a 2-coordinate geometry to four Ce, two equivalent Ru, and three equivalent Sn atoms. There are one shorter (3.06 Å) and two longer (3.14 Å) Sn–Sn bond lengths.

36 MATERIALS SCIENCE↗