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DOE OSTI · 1698982

Materials Data on CeSCl by Materials Project

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Abstract

CeSCl is Baddeleyite-derived structured and crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. Ce3+ is bonded to four equivalent S2- and three equivalent Cl1- atoms to form a mixture of distorted corner and edge-sharing CeS4Cl3 pentagonal bipyramids. There are a spread of Ce–S bond distances ranging from 2.81–2.84 Å. There are two shorter (2.94 Å) and one longer (3.13 Å) Ce–Cl bond lengths. S2- is bonded to four equivalent Ce3+ atoms to form a mixture of distorted corner and edge-sharing SCe4 tetrahedra. Cl1- is bonded in a 3-coordinate geometry to three equivalent Ce3+ atoms.

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36 MATERIALS SCIENCECe-Cl-SCeSClcrystal structure

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2020-04-30. Materials Data on CeSCl by Materials Project. https://doi.org/10.17188/1698982

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