MgMn6(O2F)4 crystallizes in the triclinic P-1 space group. Mg(1) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent F(1) atoms to form MgO4F2 octahedra that share corners with two equivalent Mn(4)O4F2 octahedra and edges with four equivalent Mn(2)O4F2 octahedra. The corner-sharing octahedral tilt angles are 52°. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(2), 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 45-49°. In the second Mn site, Mn(2) is bonded to one O(1), one O(3), two equivalent O(4), one F(1), and one F(2) atom to form MnO4F2 octahedra that share corners with two equivalent Mn(4)O4F2 octahedra,  an edgeedge with one Mn(1)O4F2 octahedra,  an edgeedge with one Mn(2)O4F2 octahedra, and edges with two equivalent Mg(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 44-57°. In the third Mn site, Mn(3) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), and two equivalent F(1) atoms. In the fourth Mn site, Mn(4) 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 Mg(1)O4F2 octahedra, corners with four equivalent Mn(1)O4F2 octahedra, and corners with four equivalent Mn(2)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 44-57°. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), one Mn(2), one Mn(3), and one Mn(4) atom to form distorted OMgMn3 trigonal pyramids that share corners with two equivalent O(1)MgMn3 trigonal pyramids, corners with three equivalent F(1)MgMn3 trigonal pyramids, and  an edgeedge with one F(1)MgMn3 trigonal pyramid. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(3), and one Mn(4) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(3) atom. In the fourth O site, O(4) is bonded in a trigonal non-coplanar geometry to one Mg(1) and two equivalent Mn(2) atoms. There are two inequivalent F sites. In the first F site, F(1) is bonded to one Mg(1), one Mn(2), and two equivalent Mn(3) atoms to form distorted FMgMn3 trigonal pyramids that share  a cornercorner with one F(1)MgMn3 trigonal pyramid, corners with three equivalent O(1)MgMn3 trigonal pyramids,  an edgeedge with one O(1)MgMn3 trigonal pyramid, and  an edgeedge with one F(1)MgMn3 trigonal pyramid. In the second F site, F(2) is bonded in a distorted T-shaped geometry to one Mn(1), one Mn(2), 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 O(4), and two equivalent F(1) atoms to form MgO4F2 octahedra that share corners with two equivalent Mn(4)O4F2 octahedra and edges with four equivalent Mn(2)O4F2 octahedra. The corner-sharing octahedral tilt angles are 52°. Both Mg(1)-O(1) bond lengths are 2.22 Å. Both Mg(1)-O(4) bond lengths are 1.98 Å. Both Mg(1)-F(1) bond lengths are 2.05 Å. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(2), 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 45-49°. Both Mn(1)-O(2) bond lengths are 2.03 Å. Both Mn(1)-O(3) bond lengths are 1.94 Å. Both Mn(1)-F(2) bond lengths are 2.23 Å. In the second Mn site, Mn(2) is bonded to one O(1), one O(3), two equivalent O(4), one F(1), and one F(2) atom to form MnO4F2 octahedra that share corners with two equivalent Mn(4)O4F2 octahedra,  an edgeedge with one Mn(1)O4F2 octahedra,  an edgeedge with one Mn(2)O4F2 octahedra, and edges with two equivalent Mg(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 44-57°. The Mn(2)-O(1) bond length is 2.08 Å. The Mn(2)-O(3) bond length is 1.93 Å. There is one shorter (1.90 Å) and one longer (1.93 Å) Mn(2)-O(4) bond length. The Mn(2)-F(1) bond length is 2.34 Å. The Mn(2)-F(2) bond length is 2.00 Å. In the third Mn site, Mn(3) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), and two equivalent F(1) atoms. The Mn(3)-O(1) bond length is 1.97 Å. The Mn(3)-O(2) bond length is 1.93 Å. The Mn(3)-O(3) bond length is 1.99 Å. There is one shorter (2.08 Å) and one longer (2.36 Å) Mn(3)-F(1) bond length. In the fourth Mn site, Mn(4) 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 Mg(1)O4F2 octahedra, corners with four equivalent Mn(1)O4F2 octahedra, and corners with four equivalent Mn(2)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 44-57°. Both Mn(4)-O(1) bond lengths are 1.99 Å. Both Mn(4)-O(2) bond lengths are 1.98 Å. Both Mn(4)-F(2) bond lengths are 2.31 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), one Mn(2), one Mn(3), and one Mn(4) atom to form distorted OMgMn3 trigonal pyramids that share corners with two equivalent O(1)MgMn3 trigonal pyramids, corners with three equivalent F(1)MgMn3 trigonal pyramids, and  an edgeedge with one F(1)MgMn3 trigonal pyramid. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(3), and one Mn(4) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(3) atom. In the fourth O site, O(4) is bonded in a trigonal non-coplanar geometry to one Mg(1) and two equivalent Mn(2) atoms. There are two inequivalent F sites. In the first F site, F(1) is bonded to one Mg(1), one Mn(2), and two equivalent Mn(3) atoms to form distorted FMgMn3 trigonal pyramids that share  a cornercorner with one F(1)MgMn3 trigonal pyramid, corners with three equivalent O(1)MgMn3 trigonal pyramids,  an edgeedge with one O(1)MgMn3 trigonal pyramid, and  an edgeedge with one F(1)MgMn3 trigonal pyramid. In the second F site, F(2) is bonded in a distorted T-shaped geometry to one Mn(1), one Mn(2), and one Mn(4) atom.