Materials Data on RbLaF4 by Materials Project

Abstract

RbLaF4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Rb1+ is bonded in a 7-coordinate geometry to seven F1- atoms. There are a spread of Rb–F bond distances ranging from 2.78–2.93 Å. La3+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of La–F bond distances ranging from 2.35–2.60 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted trigonal non-coplanar geometry to three equivalent La3+ atoms. In the second F1- site, F1- is bonded to one Rb1+ and three equivalent La3+ atoms to form a mixture of edge and corner-sharing FRbLa3 tetrahedra. In the third F1- site, F1- is bonded to two equivalent Rb1+ and two equivalent La3+ atoms to form distorted FRb2La2 tetrahedra that share corners with ten FRb2La2 tetrahedra and an edgeedge with one FRbLa3 tetrahedra. In the fourth F1- site, F1- is bonded in a 5-coordinate geometry to four equivalent Rb1+ and one La3+ atom.