Materials Data on CeSI by Materials Project
CeSI crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. Ce3+ is bonded in a 7-coordinate geometry to four equivalent S2- and three equivalent I1- atoms. There are three shorter (2.83 Å) and one longer (2.84 Å) Ce–S bond lengths. There are a spread of Ce–I bond distances ranging from 3.27–3.47 Å. S2- is bonded to four equivalent Ce3+ atoms to form a mixture of distorted edge and corner-sharing SCe4 tetrahedra. I1- is bonded in a 3-coordinate geometry to three equivalent Ce3+ atoms.
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