Materials Data on RbAlAgF6 by Materials Project

Abstract

RbAgAlF6 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 2.98–3.03 Å. Ag2+ is bonded to six F1- atoms to form distorted AgF6 octahedra that share corners with two equivalent AgF6 octahedra and corners with four equivalent AlF6 octahedra. The corner-sharing octahedra tilt angles range from 52–63°. There are a spread of Ag–F bond distances ranging from 2.10–2.37 Å. Al3+ is bonded to six F1- atoms to form AlF6 octahedra that share corners with two equivalent AlF6 octahedra and corners with four equivalent AgF6 octahedra. The corner-sharing octahedra tilt angles range from 18–63°. There are a spread of Al–F bond distances ranging from 1.81–1.86 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted trigonal planar geometry to one Rb1+ and two equivalent Ag2+ atoms. In the second F1- site, F1- is bonded in a 1-coordinate geometry to one Rb1+, one Ag2+, and one Al3+ atom. In the third F1- site, F1- is bonded in a distorted linear geometry to two equivalent Al3+ atoms. In the fourth F1- site, F1- is bonded in a 1-coordinate geometry to two equivalent Rb1+, one Ag2+, and one Al3+ atom.