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 distorted square co-planar geometry to two equivalent F(1) and two equivalent F(2) 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 water-like geometry to one Zr(3) and one Mn(1) atom. In the second F site, F(2) is bonded in a T-shaped geometry to one Zr(1), one Zr(3), 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 2.19 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 2.09 Å. In the third Zr site, Zr(3) is bonded in a distorted square co-planar geometry to two equivalent F(1) and two equivalent F(2) atoms. Both Zr(3)-F(1) bond lengths are 2.08 Å. Both Zr(3)-F(2) bond lengths are 2.26 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 2.11 Å. Both Mn(1)-F(2) bond lengths are 2.25 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 water-like geometry to one Zr(3) and one Mn(1) atom. In the second F site, F(2) is bonded in a T-shaped geometry to one Zr(1), one Zr(3), 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.