Materials Data on Rb2LaF5 by Materials Project

Abstract

Rb2LaF5 crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Rb–F bond distances ranging from 2.85–3.07 Å. In the second Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Rb–F bond distances ranging from 2.87–3.18 Å. La3+ is bonded to seven F1- atoms to form distorted edge-sharing LaF7 pentagonal bipyramids. There are a spread of La–F bond distances ranging from 2.34–2.47 Å. There are five inequivalent F1- sites. In the first F1- site, F1- is bonded in a 4-coordinate geometry to two Rb1+ and two equivalent La3+ atoms. In the second F1- site, F1- is bonded in a 5-coordinate geometry to four Rb1+ and one La3+ atom. In the third F1- site, F1- is bonded in a 4-coordinate geometry to two Rb1+ and two equivalent La3+ atoms. In the fourth F1- site, F1- is bonded in a 5-coordinate geometry to four Rb1+ and one La3+ atom. In the fifth F1- site, F1- is bonded in a 1-coordinate geometry to four Rb1+ and one La3+ atom.