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DOE OSTI · 1709135

Materials Data on Ce5Sn3 by Materials Project

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Abstract

Ce5Sn3 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded to six Sn atoms to form corner-sharing CeSn6 octahedra. The corner-sharing octahedra tilt angles range from 0–52°. There are four shorter (3.28 Å) and two longer (3.41 Å) Ce–Sn bond lengths. In the second Ce site, Ce is bonded in a 5-coordinate geometry to five Sn atoms. There are a spread of Ce–Sn bond distances ranging from 3.16–3.34 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a distorted q6 geometry to ten Ce atoms. In the second Sn site, Sn is bonded in a 9-coordinate geometry to eight Ce and one Sn atom. The Sn–Sn bond length is 3.01 Å.

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36 MATERIALS SCIENCECe-SnCe5Sn3crystal structure

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2018-07-19. Materials Data on Ce5Sn3 by Materials Project. https://doi.org/10.17188/1709135

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