Nb3VF6 crystallizes in the triclinic P-1 space group. There are three inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a linear geometry to two equivalent F(2) atoms. In the second Nb site, Nb(2) is bonded in a linear geometry to two equivalent F(3) atoms. In the third Nb site, Nb(3) is bonded in a linear geometry to two equivalent F(1) atoms. V(1) is bonded in an octahedral geometry to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms. There are three inequivalent F sites. In the first F site, F(1) is bonded in a bent 150 degrees geometry to one Nb(3) and one V(1) atom. In the second F site, F(2) is bonded in a distorted linear geometry to one Nb(1) and one V(1) atom. In the third F site, F(3) is bonded in a bent 150 degrees geometry to one Nb(2) and one V(1) atom.
Nb3VF6 crystallizes in the triclinic P-1 space group. There are three inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a linear geometry to two equivalent F(2) atoms. Both Nb(1)-F(2) bond lengths are 1.99 Å. In the second Nb site, Nb(2) is bonded in a linear geometry to two equivalent F(3) atoms. Both Nb(2)-F(3) bond lengths are 2.04 Å. In the third Nb site, Nb(3) is bonded in a linear geometry to two equivalent F(1) atoms. Both Nb(3)-F(1) bond lengths are 2.03 Å. V(1) is bonded in an octahedral geometry to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms. Both V(1)-F(1) bond lengths are 2.07 Å. Both V(1)-F(2) bond lengths are 2.09 Å. Both V(1)-F(3) bond lengths are 2.08 Å. There are three inequivalent F sites. In the first F site, F(1) is bonded in a bent 150 degrees geometry to one Nb(3) and one V(1) atom. In the second F site, F(2) is bonded in a distorted linear geometry to one Nb(1) and one V(1) atom. In the third F site, F(3) is bonded in a bent 150 degrees geometry to one Nb(2) and one V(1) atom.