MgMn6(O2F)4 crystallizes in the triclinic P-1 space group. Mg(1) is bonded to two equivalent O(1), two equivalent F(1), and two equivalent F(2) atoms to form MgO2F4 octahedra that share corners with two equivalent Mn(1)O4F2 octahedra and edges with two equivalent Mn(3)O4F2 octahedra. The corner-sharing octahedral tilt angles are 46°. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent F(1) atoms to form MnO4F2 octahedra that share corners with two equivalent Mg(1)O2F4 octahedra and corners with two equivalent Mn(3)O4F2 octahedra. The corner-sharing octahedral tilt angles are 46°. In the second Mn site, Mn(2) is bonded in a 6-coordinate geometry to one O(2), one O(4), two equivalent O(3), one F(1), and one F(2) atom. In the third Mn site, Mn(3) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent F(2) atoms to form MnO4F2 octahedra that share corners with two equivalent Mn(1)O4F2 octahedra and edges with two equivalent Mg(1)O2F4 octahedra. The corner-sharing octahedral tilt angles are 46°. In the fourth Mn site, Mn(4) is bonded in a 6-coordinate geometry to one O(3), one O(4), two equivalent O(1), one F(1), and one F(2) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted see-saw-like geometry to one Mg(1), one Mn(3), and two equivalent Mn(4) atoms. 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. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Mn(4) and two equivalent Mn(2) atoms. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(4) atom. There are two inequivalent F sites. In the first F site, F(1) is bonded in a 4-coordinate geometry to one Mg(1), one Mn(1), one Mn(2), and one Mn(4) atom. In the second F site, F(2) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Mn(2), one Mn(3), and one Mn(4) atom.
MgMn6(O2F)4 crystallizes in the triclinic P-1 space group. Mg(1) is bonded to two equivalent O(1), two equivalent F(1), and two equivalent F(2) atoms to form MgO2F4 octahedra that share corners with two equivalent Mn(1)O4F2 octahedra and edges with two equivalent Mn(3)O4F2 octahedra. The corner-sharing octahedral tilt angles are 46°. Both Mg(1)-O(1) bond lengths are 2.06 Å. Both Mg(1)-F(1) bond lengths are 2.00 Å. Both Mg(1)-F(2) bond lengths are 1.96 Å. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent F(1) atoms to form MnO4F2 octahedra that share corners with two equivalent Mg(1)O2F4 octahedra and corners with two equivalent Mn(3)O4F2 octahedra. The corner-sharing octahedral tilt angles are 46°. Both Mn(1)-O(2) bond lengths are 2.14 Å. Both Mn(1)-O(4) bond lengths are 1.97 Å. Both Mn(1)-F(1) bond lengths are 2.27 Å. In the second Mn site, Mn(2) is bonded in a 6-coordinate geometry to one O(2), one O(4), two equivalent O(3), one F(1), and one F(2) atom. The Mn(2)-O(2) bond length is 1.96 Å. The Mn(2)-O(4) bond length is 1.99 Å. There is one shorter (1.93 Å) and one longer (1.95 Å) Mn(2)-O(3) bond length. The Mn(2)-F(1) bond length is 2.53 Å. The Mn(2)-F(2) bond length is 2.18 Å. In the third Mn site, Mn(3) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent F(2) atoms to form MnO4F2 octahedra that share corners with two equivalent Mn(1)O4F2 octahedra and edges with two equivalent Mg(1)O2F4 octahedra. The corner-sharing octahedral tilt angles are 46°. Both Mn(3)-O(1) bond lengths are 2.15 Å. Both Mn(3)-O(2) bond lengths are 2.02 Å. Both Mn(3)-F(2) bond lengths are 2.11 Å. In the fourth Mn site, Mn(4) is bonded in a 6-coordinate geometry to one O(3), one O(4), two equivalent O(1), one F(1), and one F(2) atom. The Mn(4)-O(3) bond length is 1.96 Å. The Mn(4)-O(4) bond length is 1.90 Å. There is one shorter (1.97 Å) and one longer (2.04 Å) Mn(4)-O(1) bond length. The Mn(4)-F(1) bond length is 2.08 Å. The Mn(4)-F(2) bond length is 2.52 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted see-saw-like geometry to one Mg(1), one Mn(3), and two equivalent Mn(4) atoms. 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. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Mn(4) and two equivalent Mn(2) atoms. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(4) atom. There are two inequivalent F sites. In the first F site, F(1) is bonded in a 4-coordinate geometry to one Mg(1), one Mn(1), one Mn(2), and one Mn(4) atom. In the second F site, F(2) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Mn(2), one Mn(3), and one Mn(4) atom.