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DOE OSTI · 1277964

Materials Data on Yb2S3 by Materials Project

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Abstract

Yb2S3 is Corundum-like structured and crystallizes in the cubic Ia-3 space group. The structure is three-dimensional. there are two inequivalent Yb3+ sites. In the first Yb3+ site, Yb3+ is bonded to six equivalent S2- atoms to form a mixture of edge and corner-sharing YbS6 octahedra. All Yb–S bond lengths are 2.80 Å. In the second Yb3+ site, Yb3+ is bonded to six equivalent S2- atoms to form a mixture of distorted edge and corner-sharing YbS6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 51°. There are a spread of Yb–S bond distances ranging from 2.73–2.85 Å. S2- is bonded to four Yb3+ atoms to form a mixture of edge and corner-sharing SYb4 trigonal pyramids.

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36 MATERIALS SCIENCEcrystal structureS-YbYb2S3

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2020-07-15. Materials Data on Yb2S3 by Materials Project. https://doi.org/10.17188/1277964

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