Materials Data on Rb2LaI5 by Materials Project

Abstract

Rb2LaI5 crystallizes in the orthorhombic Pnma 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 3.75–4.09 Å. La3+ is bonded to seven I1- atoms to form distorted edge-sharing LaI7 pentagonal bipyramids. There are a spread of La–I bond distances ranging from 3.22–3.33 Å. There are four inequivalent I1- sites. In the first I1- site, I1- is bonded in a 5-coordinate geometry to four equivalent Rb1+ and one La3+ atom. In the second I1- site, I1- is bonded in a 4-coordinate geometry to two equivalent Rb1+ and two equivalent La3+ atoms. In the third I1- site, I1- is bonded to four equivalent Rb1+ and one La3+ atom to form a mixture of distorted edge, face, and corner-sharing IRb4La trigonal bipyramids. In the fourth I1- site, I1- is bonded to four equivalent Rb1+ and one La3+ atom to form a mixture of distorted edge, face, and corner-sharing IRb4La trigonal bipyramids.