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DOE OSTI · 1193153

Materials Data on Tm2S3 by Materials Project

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Abstract

Tm2S3 is Corundum-like structured and crystallizes in the cubic Ia-3 space group. The structure is three-dimensional. there are two inequivalent Tm3+ sites. In the first Tm3+ site, Tm3+ is bonded to six equivalent S2- atoms to form a mixture of distorted edge and corner-sharing TmS6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 51°. There are four shorter (2.71 Å) and two longer (2.72 Å) Tm–S bond lengths. In the second Tm3+ site, Tm3+ is bonded to six equivalent S2- atoms to form a mixture of edge and corner-sharing TmS6 octahedra. All Tm–S bond lengths are 2.70 Å. S2- is bonded to four Tm3+ atoms to form a mixture of edge and corner-sharing STm4 trigonal pyramids.

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36 MATERIALS SCIENCEcrystal structureS-TmTm2S3

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2020-05-01. Materials Data on Tm2S3 by Materials Project. https://doi.org/10.17188/1193153

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