Materials Data on Rb2SmBr5 by Materials Project

Abstract

Rb2SmBr5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Rb1+ is bonded in a 8-coordinate geometry to eight Br1- atoms. There are a spread of Rb–Br bond distances ranging from 3.48–3.78 Å. Sm3+ is bonded to seven Br1- atoms to form distorted edge-sharing SmBr7 pentagonal bipyramids. There are a spread of Sm–Br bond distances ranging from 2.91–3.02 Å. There are four inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 5-coordinate geometry to four equivalent Rb1+ and one Sm3+ atom. In the second Br1- site, Br1- is bonded in a 2-coordinate geometry to two equivalent Rb1+ and two equivalent Sm3+ atoms. In the third Br1- site, Br1- is bonded to four equivalent Rb1+ and one Sm3+ atom to form a mixture of distorted edge, face, and corner-sharing BrRb4Sm trigonal bipyramids. In the fourth Br1- site, Br1- is bonded to four equivalent Rb1+ and one Sm3+ atom to form a mixture of distorted edge, face, and corner-sharing BrRb4Sm trigonal bipyramids.