MgMn6(O2F)4 crystallizes in the monoclinic P2 space group. Mg(1) is bonded in a 4-coordinate geometry to two equivalent O(2) and two equivalent O(4) atoms. There are six inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent F(1) atoms to form a mixture of edge and corner-sharing MnO4F2 octahedra. The corner-sharing octahedral tilt angles range from 43-52°. In the second Mn site, Mn(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent F(2) atoms to form a mixture of edge and corner-sharing MnO4F2 octahedra. The corner-sharing octahedral tilt angles range from 43-53°. In the third Mn site, Mn(3) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent F(1) atoms to form a mixture of edge and corner-sharing MnO4F2 octahedra. The corner-sharing octahedral tilt angles range from 47-53°. In the fourth Mn site, Mn(4) is bonded to two equivalent O(3), two equivalent O(4), and two equivalent F(1) atoms to form a mixture of edge and corner-sharing MnO4F2 octahedra. The corner-sharing octahedral tilt angles range from 43-53°. In the fifth Mn site, Mn(5) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent F(2) atoms to form a mixture of edge and corner-sharing MnO4F2 octahedra. The corner-sharing octahedral tilt angles range from 43-52°. In the sixth Mn site, Mn(6) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent F(2) atoms to form a mixture of edge and corner-sharing MnO4F2 octahedra. The corner-sharing octahedral tilt angles range from 47-53°. There are four 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(5) atom. In the second O site, O(2) is bonded to one Mg(1), one Mn(2), one Mn(3), and one Mn(6) atom to form a mixture of distorted edge and corner-sharing OMgMn3 trigonal pyramids. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(4), and one Mn(5) atom. In the fourth O site, O(4) is bonded to one Mg(1), one Mn(3), one Mn(4), and one Mn(6) atom to form a mixture of distorted edge and corner-sharing OMgMn3 trigonal pyramids. There are two inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to one Mn(1), one Mn(3), and one Mn(4) atom. In the second F site, F(2) is bonded in a trigonal planar geometry to one Mn(2), one Mn(5), and one Mn(6) atom.
MgMn6(O2F)4 crystallizes in the monoclinic P2 space group. Mg(1) is bonded in a 4-coordinate geometry to two equivalent O(2) and two equivalent O(4) atoms. Both Mg(1)-O(2) bond lengths are 1.92 Å. Both Mg(1)-O(4) bond lengths are 1.91 Å. There are six inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent F(1) atoms to form a mixture of edge and corner-sharing MnO4F2 octahedra. The corner-sharing octahedral tilt angles range from 43-52°. Both Mn(1)-O(1) bond lengths are 1.89 Å. Both Mn(1)-O(3) bond lengths are 2.20 Å. Both Mn(1)-F(1) bond lengths are 2.06 Å. In the second Mn site, Mn(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent F(2) atoms to form a mixture of edge and corner-sharing MnO4F2 octahedra. The corner-sharing octahedral tilt angles range from 43-53°. Both Mn(2)-O(1) bond lengths are 1.95 Å. Both Mn(2)-O(2) bond lengths are 2.05 Å. Both Mn(2)-F(2) bond lengths are 2.19 Å. In the third Mn site, Mn(3) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent F(1) atoms to form a mixture of edge and corner-sharing MnO4F2 octahedra. The corner-sharing octahedral tilt angles range from 47-53°. Both Mn(3)-O(2) bond lengths are 2.10 Å. Both Mn(3)-O(4) bond lengths are 2.11 Å. Both Mn(3)-F(1) bond lengths are 2.05 Å. In the fourth Mn site, Mn(4) is bonded to two equivalent O(3), two equivalent O(4), and two equivalent F(1) atoms to form a mixture of edge and corner-sharing MnO4F2 octahedra. The corner-sharing octahedral tilt angles range from 43-53°. Both Mn(4)-O(3) bond lengths are 1.95 Å. Both Mn(4)-O(4) bond lengths are 2.05 Å. Both Mn(4)-F(1) bond lengths are 2.19 Å. In the fifth Mn site, Mn(5) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent F(2) atoms to form a mixture of edge and corner-sharing MnO4F2 octahedra. The corner-sharing octahedral tilt angles range from 43-52°. Both Mn(5)-O(1) bond lengths are 2.20 Å. Both Mn(5)-O(3) bond lengths are 1.89 Å. Both Mn(5)-F(2) bond lengths are 2.06 Å. In the sixth Mn site, Mn(6) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent F(2) atoms to form a mixture of edge and corner-sharing MnO4F2 octahedra. The corner-sharing octahedral tilt angles range from 47-53°. Both Mn(6)-O(2) bond lengths are 2.11 Å. Both Mn(6)-O(4) bond lengths are 2.10 Å. Both Mn(6)-F(2) bond lengths are 2.05 Å. There are four 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(5) atom. In the second O site, O(2) is bonded to one Mg(1), one Mn(2), one Mn(3), and one Mn(6) atom to form a mixture of distorted edge and corner-sharing OMgMn3 trigonal pyramids. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(4), and one Mn(5) atom. In the fourth O site, O(4) is bonded to one Mg(1), one Mn(3), one Mn(4), and one Mn(6) atom to form a mixture of distorted edge and corner-sharing OMgMn3 trigonal pyramids. There are two inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to one Mn(1), one Mn(3), and one Mn(4) atom. In the second F site, F(2) is bonded in a trigonal planar geometry to one Mn(2), one Mn(5), and one Mn(6) atom.