Mn3(OF3)2 crystallizes in the monoclinic Pc space group. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(2), one F(1), one F(2), one F(3), and one F(4) atom to form a mixture of corner and edge-sharing MnO2F4 octahedra. The corner-sharing octahedral tilt angles range from 41-53°. In the second Mn site, Mn(2) is bonded to one O(1), one O(2), one F(1), one F(4), one F(5), and one F(6) atom to form a mixture of corner and edge-sharing MnO2F4 octahedra. The corner-sharing octahedral tilt angles range from 36-51°. In the third Mn site, Mn(3) is bonded to one O(1), one O(2), one F(2), one F(3), one F(5), and one F(6) atom to form a mixture of corner and edge-sharing MnO2F4 octahedra. The corner-sharing octahedral tilt angles range from 36-53°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(3) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(3) atom. There are six inequivalent F sites. In the first F site, F(1) is bonded in a distorted bent 150 degrees geometry to one Mn(1) and one Mn(2) atom. In the second F site, F(2) is bonded in a bent 150 degrees geometry to one Mn(1) and one Mn(3) atom. In the third F site, F(3) is bonded in a water-like geometry to one Mn(1) and one Mn(3) atom. In the fourth F site, F(4) is bonded in a water-like geometry to one Mn(1) and one Mn(2) atom. In the fifth F site, F(5) is bonded in a bent 150 degrees geometry to one Mn(2) and one Mn(3) atom. In the sixth F site, F(6) is bonded in a bent 150 degrees geometry to one Mn(2) and one Mn(3) atom.
Mn3(OF3)2 crystallizes in the monoclinic Pc space group. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(2), one F(1), one F(2), one F(3), and one F(4) atom to form a mixture of corner and edge-sharing MnO2F4 octahedra. The corner-sharing octahedral tilt angles range from 41-53°. The Mn(1)-O(1) bond length is 1.91 Å. The Mn(1)-O(2) bond length is 1.96 Å. The Mn(1)-F(1) bond length is 2.08 Å. The Mn(1)-F(2) bond length is 2.10 Å. The Mn(1)-F(3) bond length is 2.02 Å. The Mn(1)-F(4) bond length is 2.03 Å. In the second Mn site, Mn(2) is bonded to one O(1), one O(2), one F(1), one F(4), one F(5), and one F(6) atom to form a mixture of corner and edge-sharing MnO2F4 octahedra. The corner-sharing octahedral tilt angles range from 36-51°. The Mn(2)-O(1) bond length is 2.10 Å. The Mn(2)-O(2) bond length is 1.97 Å. The Mn(2)-F(1) bond length is 1.86 Å. The Mn(2)-F(4) bond length is 1.89 Å. The Mn(2)-F(5) bond length is 2.00 Å. The Mn(2)-F(6) bond length is 2.07 Å. In the third Mn site, Mn(3) is bonded to one O(1), one O(2), one F(2), one F(3), one F(5), and one F(6) atom to form a mixture of corner and edge-sharing MnO2F4 octahedra. The corner-sharing octahedral tilt angles range from 36-53°. The Mn(3)-O(1) bond length is 1.88 Å. The Mn(3)-O(2) bond length is 1.89 Å. The Mn(3)-F(2) bond length is 1.85 Å. The Mn(3)-F(3) bond length is 1.89 Å. The Mn(3)-F(5) bond length is 1.96 Å. The Mn(3)-F(6) bond length is 1.89 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(3) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(3) atom. There are six inequivalent F sites. In the first F site, F(1) is bonded in a distorted bent 150 degrees geometry to one Mn(1) and one Mn(2) atom. In the second F site, F(2) is bonded in a bent 150 degrees geometry to one Mn(1) and one Mn(3) atom. In the third F site, F(3) is bonded in a water-like geometry to one Mn(1) and one Mn(3) atom. In the fourth F site, F(4) is bonded in a water-like geometry to one Mn(1) and one Mn(2) atom. In the fifth F site, F(5) is bonded in a bent 150 degrees geometry to one Mn(2) and one Mn(3) atom. In the sixth F site, F(6) is bonded in a bent 150 degrees geometry to one Mn(2) and one Mn(3) atom.