Zr3MnF6 crystallizes in the triclinic P-1 space group. There are three inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a linear geometry to two equivalent F(2) atoms. In the second Zr site, Zr(2) is bonded in a linear geometry to two equivalent F(3) atoms. In the third Zr site, Zr(3) is bonded in a linear geometry to two equivalent F(1) atoms. Mn(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 120 degrees geometry to one Zr(3) and one Mn(1) atom. In the second F site, F(2) is bonded in a bent 120 degrees geometry to one Zr(1) and one Mn(1) atom. In the third F site, F(3) is bonded in a bent 120 degrees geometry to one Zr(2) and one Mn(1) atom.
Zr3MnF6 crystallizes in the triclinic P-1 space group. There are three inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a linear geometry to two equivalent F(2) atoms. Both Zr(1)-F(2) bond lengths are 2.03 Å. In the second Zr site, Zr(2) is bonded in a linear geometry to two equivalent F(3) atoms. Both Zr(2)-F(3) bond lengths are 2.04 Å. In the third Zr site, Zr(3) is bonded in a linear geometry to two equivalent F(1) atoms. Both Zr(3)-F(1) bond lengths are 2.04 Å. Mn(1) is bonded in an octahedral geometry to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms. Both Mn(1)-F(1) bond lengths are 2.05 Å. Both Mn(1)-F(2) bond lengths are 2.11 Å. Both Mn(1)-F(3) bond lengths are 2.13 Å. There are three inequivalent F sites. In the first F site, F(1) is bonded in a bent 120 degrees geometry to one Zr(3) and one Mn(1) atom. In the second F site, F(2) is bonded in a bent 120 degrees geometry to one Zr(1) and one Mn(1) atom. In the third F site, F(3) is bonded in a bent 120 degrees geometry to one Zr(2) and one Mn(1) atom.