Materials Data on CsSmI3 by Materials Project
CsSmI3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Cs1+ is bonded in a 8-coordinate geometry to eight I1- atoms. There are a spread of Cs–I bond distances ranging from 3.88–4.12 Å. Sm2+ is bonded to six I1- atoms to form a mixture of corner and edge-sharing SmI6 octahedra. The corner-sharing octahedral tilt angles are 38°. All Sm–I bond lengths are 3.18 Å. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded in a 5-coordinate geometry to three equivalent Cs1+ and two equivalent Sm2+ atoms. In the second I1- site, I1- is bonded in a 4-coordinate geometry to two equivalent Cs1+ and two equivalent Sm2+ atoms.
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