Materials Data on RbSm2I5 by Materials Project
RbSm2I5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Rb1+ is bonded in a 9-coordinate geometry to eight I1- atoms. There are a spread of Rb–I bond distances ranging from 3.62–3.94 Å. There are two inequivalent Sm2+ sites. In the first Sm2+ site, Sm2+ is bonded in a 8-coordinate geometry to eight I1- atoms. There are a spread of Sm–I bond distances ranging from 3.20–3.61 Å. In the second Sm2+ site, Sm2+ is bonded to seven I1- atoms to form distorted edge-sharing SmI7 pentagonal bipyramids. There are a spread of Sm–I bond distances ranging from 3.18–3.36 Å. There are five inequivalent I1- sites. In the first I1- site, I1- is bonded in a 4-coordinate geometry to two equivalent Rb1+ and two equivalent Sm2+ atoms. In the second I1- site, I1- is bonded in a 5-coordinate geometry to two equivalent Rb1+ and three Sm2+ atoms. In the third I1- site, I1- is bonded to two equivalent Rb1+ and three Sm2+ atoms to form a mixture of distorted corner, edge, and face-sharing IRb2Sm3 square pyramids. In the fourth I1- site, I1- is bonded to two equivalent Rb1+ and three Sm2+ atoms to form a mixture of distorted corner, edge, and face-sharing IRb2Sm3 square pyramids. In the fifth I1- site, I1- is bonded in a 4-coordinate geometry to four Sm2+ atoms.