Materials Data on RbMgF3 by Materials Project

Abstract

RbMgF3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 6-coordinate geometry to six F1- atoms. There are three shorter (2.50 Å) and three longer (2.99 Å) Rb–F bond lengths. In the second Rb1+ site, Rb1+ is bonded in a 12-coordinate geometry to six equivalent F1- atoms. All Rb–F bond lengths are 2.87 Å. There are two inequivalent Mg2+ sites. In the first Mg2+ site, Mg2+ is bonded in a 3-coordinate geometry to three equivalent F1- atoms. All Mg–F bond lengths are 1.96 Å. In the second Mg2+ site, Mg2+ is bonded in an octahedral geometry to six equivalent F1- atoms. All Mg–F bond lengths are 2.02 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted L-shaped geometry to two equivalent Rb1+ and two equivalent Mg2+ atoms. In the second F1- site, F1- is bonded in a 3-coordinate geometry to two Rb1+ and one Mg2+ atom.