Materials Data on CrMoF6 by Materials Project

Abstract

MoCrF6 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Mo3+ is bonded to six F1- atoms to form MoF6 octahedra that share corners with six equivalent CrF6 octahedra. The corner-sharing octahedra tilt angles range from 22–24°. There are a spread of Mo–F bond distances ranging from 1.97–2.03 Å. Cr3+ is bonded to six F1- atoms to form CrF6 octahedra that share corners with six equivalent MoF6 octahedra. The corner-sharing octahedra tilt angles range from 22–24°. There are a spread of Cr–F bond distances ranging from 2.03–2.27 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 150 degrees geometry to one Mo3+ and one Cr3+ atom. In the second F1- site, F1- is bonded in a bent 150 degrees geometry to one Mo3+ and one Cr3+ atom. In the third F1- site, F1- is bonded in a bent 150 degrees geometry to one Mo3+ and one Cr3+ atom.