Materials Data on Mn3NbF6 by Materials Project

Abstract

NbMn3F6 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Nb is bonded in an octahedral geometry to six F atoms. There are a spread of Nb–F bond distances ranging from 2.01–2.11 Å. There are three inequivalent Mn sites. In the first Mn site, Mn is bonded in a linear geometry to two equivalent F atoms. Both Mn–F bond lengths are 1.95 Å. In the second Mn site, Mn is bonded in a linear geometry to two equivalent F atoms. Both Mn–F bond lengths are 2.20 Å. In the third Mn site, Mn is bonded in a linear geometry to two equivalent F atoms. Both Mn–F bond lengths are 2.21 Å. There are three inequivalent F sites. In the first F site, F is bonded in a distorted bent 150 degrees geometry to one Nb and one Mn atom. In the second F site, F is bonded in a distorted linear geometry to one Nb and one Mn atom. In the third F site, F is bonded in a distorted bent 150 degrees geometry to one Nb and one Mn atom.