Materials Data on Rb2SmCl5 by Materials Project

Abstract

Rb2SmCl5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Rb1+ is bonded in a 8-coordinate geometry to eight Cl1- atoms. There are a spread of Rb–Cl bond distances ranging from 3.30–3.56 Å. Sm3+ is bonded to seven Cl1- atoms to form distorted edge-sharing SmCl7 pentagonal bipyramids. There are a spread of Sm–Cl bond distances ranging from 2.75–2.84 Å. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 5-coordinate geometry to four equivalent Rb1+ and one Sm3+ atom. In the second Cl1- site, Cl1- is bonded in a 1-coordinate geometry to four equivalent Rb1+ and one Sm3+ atom. In the third Cl1- site, Cl1- is bonded in a 5-coordinate geometry to four equivalent Rb1+ and one Sm3+ atom. In the fourth Cl1- site, Cl1- is bonded in a 4-coordinate geometry to two equivalent Rb1+ and two equivalent Sm3+ atoms.