Mn3(OF3)2 crystallizes in the triclinic P-1 space group. There are four inequivalent Mn sites. In the first Mn site, Mn(1) 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 edge and corner-sharing MnO2F4 octahedra. The corner-sharing octahedral tilt angles range from 39-54°. In the second Mn site, Mn(2) 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 edge and corner-sharing MnO2F4 octahedra. The corner-sharing octahedral tilt angles range from 39-51°. In the third Mn site, Mn(3) is bonded to two equivalent O(2), two equivalent F(2), and two equivalent F(4) atoms to form a mixture of edge and corner-sharing MnO2F4 octahedra. The corner-sharing octahedral tilt angles range from 41-51°. In the fourth Mn site, Mn(4) is bonded to two equivalent O(1), two equivalent F(1), and two equivalent F(3) atoms to form a mixture of edge and corner-sharing MnO2F4 octahedra. The corner-sharing octahedral tilt angles range from 45-54°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(4) 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(4) atom. In the second F site, F(2) is bonded in a bent 150 degrees geometry to one Mn(2) and one Mn(3) atom. In the third F site, F(3) is bonded in a water-like geometry to one Mn(2) and one Mn(4) atom. In the fourth F site, F(4) is bonded in a water-like geometry to one Mn(1) and one Mn(3) atom. In the fifth F site, F(5) is bonded in a bent 150 degrees geometry to one Mn(1) and one Mn(2) atom. In the sixth F site, F(6) is bonded in a bent 150 degrees geometry to one Mn(1) and one Mn(2) atom.
Mn3(OF3)2 crystallizes in the triclinic P-1 space group. There are four inequivalent Mn sites. In the first Mn site, Mn(1) 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 edge and corner-sharing MnO2F4 octahedra. The corner-sharing octahedral tilt angles range from 39-54°. The Mn(1)-O(1) bond length is 2.15 Å. The Mn(1)-O(2) bond length is 1.93 Å. The Mn(1)-F(1) bond length is 1.88 Å. The Mn(1)-F(4) bond length is 1.93 Å. The Mn(1)-F(5) bond length is 1.95 Å. The Mn(1)-F(6) bond length is 2.12 Å. In the second Mn site, Mn(2) 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 edge and corner-sharing MnO2F4 octahedra. The corner-sharing octahedral tilt angles range from 39-51°. The Mn(2)-O(1) bond length is 1.87 Å. The Mn(2)-O(2) bond length is 1.90 Å. The Mn(2)-F(2) bond length is 1.85 Å. The Mn(2)-F(3) bond length is 1.88 Å. The Mn(2)-F(5) bond length is 1.96 Å. The Mn(2)-F(6) bond length is 1.91 Å. In the third Mn site, Mn(3) is bonded to two equivalent O(2), two equivalent F(2), and two equivalent F(4) atoms to form a mixture of edge and corner-sharing MnO2F4 octahedra. The corner-sharing octahedral tilt angles range from 41-51°. Both Mn(3)-O(2) bond lengths are 1.94 Å. Both Mn(3)-F(2) bond lengths are 2.16 Å. Both Mn(3)-F(4) bond lengths are 1.95 Å. In the fourth Mn site, Mn(4) is bonded to two equivalent O(1), two equivalent F(1), and two equivalent F(3) atoms to form a mixture of edge and corner-sharing MnO2F4 octahedra. The corner-sharing octahedral tilt angles range from 45-54°. Both Mn(4)-O(1) bond lengths are 1.93 Å. Both Mn(4)-F(1) bond lengths are 2.04 Å. Both Mn(4)-F(3) bond lengths are 2.08 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(4) 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(4) atom. In the second F site, F(2) is bonded in a bent 150 degrees geometry to one Mn(2) and one Mn(3) atom. In the third F site, F(3) is bonded in a water-like geometry to one Mn(2) and one Mn(4) atom. In the fourth F site, F(4) is bonded in a water-like geometry to one Mn(1) and one Mn(3) atom. In the fifth F site, F(5) is bonded in a bent 150 degrees geometry to one Mn(1) and one Mn(2) atom. In the sixth F site, F(6) is bonded in a bent 150 degrees geometry to one Mn(1) and one Mn(2) atom.