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Materials Data on RbSmI3 by Materials Project

RbSmI3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Rb1+ is bonded in a 8-coordinate geometry to eight I1- atoms. There are a spread of Rb–I bond distances ranging from 3.73–4.08 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 39°. There are two shorter (3.17 Å) and four longer (3.19 Å) Sm–I bond lengths. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded in a 5-coordinate geometry to three equivalent Rb1+ and two equivalent Sm2+ atoms. In the second I1- site, I1- is bonded in a 4-coordinate geometry to two equivalent Rb1+ and two equivalent Sm2+ atoms.

36 MATERIALS SCIENCE↗