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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on CeZnSn by Materials Project

CeZnSn 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 12-coordinate geometry to six equivalent Zn and six equivalent Sn atoms. All Ce–Zn bond lengths are 3.08 Å. All Ce–Sn bond lengths are 3.45 Å. In the second Ce site, Ce is bonded to six equivalent Sn atoms to form distorted edge-sharing CeSn6 octahedra. All Ce–Sn bond lengths are 3.28 Å. Zn is bonded in a 6-coordinate geometry to three equivalent Ce and three equivalent Sn atoms. All Zn–Sn bond lengths are 2.73 Å. Sn is bonded in a 9-coordinate geometry to six Ce and three equivalent Zn atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ce2Zn5Sn by Materials Project

Ce2Zn5Sn crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded in a 11-coordinate geometry to thirteen Zn and two equivalent Sn atoms. There are a spread of Ce–Zn bond distances ranging from 3.08–3.26 Å. Both Ce–Sn bond lengths are 3.33 Å. In the second Ce site, Ce is bonded in a 6-coordinate geometry to ten Zn and four equivalent Sn atoms. There are a spread of Ce–Zn bond distances ranging from 3.20–3.59 Å. All Ce–Sn bond lengths are 3.28 Å. There are three inequivalent Zn sites. In the first Zn site, Zn is bonded in a 10-coordinate geometry to four Ce and six Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.52–2.89 Å. In the second Zn site, Zn is bonded in a 1-coordinate geometry to five Ce, four Zn, and one Sn atom. The Zn–Zn bond length is 2.53 Å. The Zn–Sn bond length is 2.66 Å. In the third Zn site, Zn is bonded in a 1-coordinate geometry to five Ce, six Zn, and one Sn atom. The Zn–Sn bond length is 2.66 Å. Sn is bonded in a 9-coordinate geometry to six Ce and three Zn atoms.

36 MATERIALS SCIENCE↗