Materials Data on CeSBr by Materials Project
CeSBr 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 Br1- atoms. There are two shorter (2.82 Å) and two longer (2.83 Å) Ce–S bond lengths. There are a spread of Ce–Br bond distances ranging from 3.06–3.34 Å. S2- is bonded to four equivalent Ce3+ atoms to form a mixture of distorted edge and corner-sharing SCe4 tetrahedra. Br1- is bonded in a 3-coordinate geometry to three equivalent Ce3+ atoms.
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