MgMn6(O2F)4 crystallizes in the monoclinic P2 space group. Mg(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent F(2) atoms to form MgO4F2 octahedra that share corners with two equivalent Mn(1)O4F2 octahedra, corners with two equivalent Mn(3)O4F2 octahedra, edges with two equivalent Mn(5)O4F2 octahedra, edges with two equivalent Mn(6)O4F2 octahedra, and faces with two equivalent Mn(2)O4F2 octahedra. The corner-sharing octahedral tilt angles are 43°. 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 MnO4F2 octahedra that share corners with two equivalent Mg(1)O4F2 octahedra, corners with four equivalent Mn(4)O4F2 octahedra, corners with four equivalent Mn(5)O4F2 octahedra,  an edgeedge with one Mn(2)O4F2 octahedra, and  an edgeedge with one Mn(3)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 43-59°. 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 MnO4F2 octahedra that share corners with four equivalent Mn(5)O4F2 octahedra, corners with four equivalent Mn(6)O4F2 octahedra,  an edgeedge with one Mn(1)O4F2 octahedra,  an edgeedge with one Mn(3)O4F2 octahedra, and faces with two equivalent Mg(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 40-55°. 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 MnO4F2 octahedra that share corners with two equivalent Mg(1)O4F2 octahedra, corners with four equivalent Mn(4)O4F2 octahedra, corners with four equivalent Mn(6)O4F2 octahedra,  an edgeedge with one Mn(1)O4F2 octahedra, and  an edgeedge with one Mn(2)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 43-59°. 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 44-53°. 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 distorted MnO4F2 octahedra that share corners with four equivalent Mn(1)O4F2 octahedra, corners with four equivalent Mn(2)O4F2 octahedra,  an edgeedge with one Mn(4)O4F2 octahedra,  an edgeedge with one Mn(6)O4F2 octahedra, and edges with two equivalent Mg(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 40-59°. 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 distorted MnO4F2 octahedra that share corners with four equivalent Mn(2)O4F2 octahedra, corners with four equivalent Mn(3)O4F2 octahedra,  an edgeedge with one Mn(4)O4F2 octahedra,  an edgeedge with one Mn(5)O4F2 octahedra, and edges with two equivalent Mg(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 40-59°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Mn(1), one Mn(2), and one Mn(5) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Mn(2), one Mn(3), and one Mn(6) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(4), and one Mn(5) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Mn(3), one Mn(4), and one Mn(6) atom. 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 to one Mg(1), one Mn(2), one Mn(5), and one Mn(6) atom to form a mixture of distorted edge and corner-sharing FMgMn3 trigonal pyramids.
MgMn6(O2F)4 crystallizes in the monoclinic P2 space group. Mg(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent F(2) atoms to form MgO4F2 octahedra that share corners with two equivalent Mn(1)O4F2 octahedra, corners with two equivalent Mn(3)O4F2 octahedra, edges with two equivalent Mn(5)O4F2 octahedra, edges with two equivalent Mn(6)O4F2 octahedra, and faces with two equivalent Mn(2)O4F2 octahedra. The corner-sharing octahedral tilt angles are 43°. Both Mg(1)-O(1) bond lengths are 2.09 Å. Both Mg(1)-O(2) bond lengths are 2.10 Å. Both Mg(1)-F(2) bond lengths are 1.97 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 MnO4F2 octahedra that share corners with two equivalent Mg(1)O4F2 octahedra, corners with four equivalent Mn(4)O4F2 octahedra, corners with four equivalent Mn(5)O4F2 octahedra,  an edgeedge with one Mn(2)O4F2 octahedra, and  an edgeedge with one Mn(3)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 43-59°. Both Mn(1)-O(1) bond lengths are 2.02 Å. Both Mn(1)-O(3) bond lengths are 2.26 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 MnO4F2 octahedra that share corners with four equivalent Mn(5)O4F2 octahedra, corners with four equivalent Mn(6)O4F2 octahedra,  an edgeedge with one Mn(1)O4F2 octahedra,  an edgeedge with one Mn(3)O4F2 octahedra, and faces with two equivalent Mg(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 40-55°. Both Mn(2)-O(1) bond lengths are 1.93 Å. Both Mn(2)-O(2) bond lengths are 1.93 Å. Both Mn(2)-F(2) bond lengths are 2.30 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 MnO4F2 octahedra that share corners with two equivalent Mg(1)O4F2 octahedra, corners with four equivalent Mn(4)O4F2 octahedra, corners with four equivalent Mn(6)O4F2 octahedra,  an edgeedge with one Mn(1)O4F2 octahedra, and  an edgeedge with one Mn(2)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 43-59°. Both Mn(3)-O(2) bond lengths are 2.01 Å. Both Mn(3)-O(4) bond lengths are 2.26 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 44-53°. Both Mn(4)-O(3) bond lengths are 1.95 Å. Both Mn(4)-O(4) bond lengths are 1.95 Å. Both Mn(4)-F(1) bond lengths are 2.29 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 distorted MnO4F2 octahedra that share corners with four equivalent Mn(1)O4F2 octahedra, corners with four equivalent Mn(2)O4F2 octahedra,  an edgeedge with one Mn(4)O4F2 octahedra,  an edgeedge with one Mn(6)O4F2 octahedra, and edges with two equivalent Mg(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 40-59°. Both Mn(5)-O(1) bond lengths are 2.26 Å. Both Mn(5)-O(3) bond lengths are 1.85 Å. Both Mn(5)-F(2) bond lengths are 2.14 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 distorted MnO4F2 octahedra that share corners with four equivalent Mn(2)O4F2 octahedra, corners with four equivalent Mn(3)O4F2 octahedra,  an edgeedge with one Mn(4)O4F2 octahedra,  an edgeedge with one Mn(5)O4F2 octahedra, and edges with two equivalent Mg(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 40-59°. Both Mn(6)-O(2) bond lengths are 2.26 Å. Both Mn(6)-O(4) bond lengths are 1.85 Å. Both Mn(6)-F(2) bond lengths are 2.14 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Mn(1), one Mn(2), and one Mn(5) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Mn(2), one Mn(3), and one Mn(6) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(4), and one Mn(5) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Mn(3), one Mn(4), and one Mn(6) atom. 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 to one Mg(1), one Mn(2), one Mn(5), and one Mn(6) atom to form a mixture of distorted edge and corner-sharing FMgMn3 trigonal pyramids.