MgMn6(O2F)4 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(2), one O(3), one O(4), one O(5), one F(1), and one F(4) atom to form MgO4F2 octahedra that share corners with two equivalent Mn(3)O3F2 square pyramids,  a cornercorner with one Mn(2)O4F trigonal bipyramid,  a cornercorner with one Mn(6)O4F trigonal bipyramid,  an edgeedge with one Mn(4)O4F2 octahedra,  an edgeedge with one Mn(5)O4F2 octahedra, edges with two equivalent Mn(1)O4F2 octahedra,  an edgeedge with one Mn(2)O4F trigonal bipyramid, and  an edgeedge with one Mn(6)O4F trigonal bipyramid. There are six inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(2), one O(5), one O(7), one O(8), one F(1), and one F(4) atom to form MnO4F2 octahedra that share corners with two equivalent Mn(3)O3F2 square pyramids, corners with two equivalent Mn(2)O4F trigonal bipyramids, corners with two equivalent Mn(6)O4F trigonal bipyramids,  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. In the second Mn site, Mn(2) is bonded to one O(2), one O(3), one O(4), one O(7), and one F(3) atom to form distorted MnO4F trigonal bipyramids that share  a cornercorner with one Mg(1)O4F2 octahedra, corners with two equivalent Mn(1)O4F2 octahedra, corners with two equivalent Mn(4)O4F2 octahedra, corners with two equivalent Mn(5)O4F2 octahedra,  an edgeedge with one Mg(1)O4F2 octahedra,  an edgeedge with one Mn(3)O3F2 square pyramid, and  an edgeedge with one Mn(6)O4F trigonal bipyramid. The corner-sharing octahedral tilt angles range from 44-65°. In the third Mn site, Mn(3) is bonded to one O(2), one O(5), one O(6), one F(2), and one F(3) atom to form distorted MnO3F2 square pyramids that share corners with two equivalent Mg(1)O4F2 octahedra, corners with two equivalent Mn(1)O4F2 octahedra, corners with two equivalent Mn(4)O4F2 octahedra, corners with two equivalent Mn(5)O4F2 octahedra,  an edgeedge with one Mn(2)O4F trigonal bipyramid, and  an edgeedge with one Mn(6)O4F trigonal bipyramid. The corner-sharing octahedral tilt angles range from 46-60°. In the fourth Mn site, Mn(4) is bonded to one O(1), one O(3), one O(6), one O(8), one F(3), and one F(4) atom to form MnO4F2 octahedra that share corners with two equivalent Mn(3)O3F2 square pyramids, corners with two equivalent Mn(2)O4F trigonal bipyramids, corners with two equivalent Mn(6)O4F trigonal bipyramids,  an edgeedge with one Mg(1)O4F2 octahedra,  an edgeedge with one Mn(1)O4F2 octahedra, and  an edgeedge with one Mn(5)O4F2 octahedra. In the fifth Mn site, Mn(5) is bonded to one O(1), one O(4), one O(6), one O(7), one F(1), and one F(2) atom to form MnO4F2 octahedra that share corners with two equivalent Mn(3)O3F2 square pyramids, corners with two equivalent Mn(2)O4F trigonal bipyramids, corners with two equivalent Mn(6)O4F trigonal bipyramids,  an edgeedge with one Mg(1)O4F2 octahedra,  an edgeedge with one Mn(1)O4F2 octahedra, and  an edgeedge with one Mn(4)O4F2 octahedra. In the sixth Mn site, Mn(6) is bonded to one O(3), one O(4), one O(5), one O(8), and one F(2) atom to form distorted MnO4F trigonal bipyramids that share  a cornercorner with one Mg(1)O4F2 octahedra, corners with two equivalent Mn(1)O4F2 octahedra, corners with two equivalent Mn(4)O4F2 octahedra, corners with two equivalent Mn(5)O4F2 octahedra,  an edgeedge with one Mg(1)O4F2 octahedra,  an edgeedge with one Mn(3)O3F2 square pyramid, and  an edgeedge with one Mn(2)O4F trigonal bipyramid. The corner-sharing octahedral tilt angles range from 48-66°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a water-like geometry to one Mn(4) and one Mn(5) atom. In the second O site, O(2) is bonded to one Mg(1), one Mn(1), one Mn(2), and one Mn(3) atom to form a mixture of edge and corner-sharing OMgMn3 trigonal pyramids. In the third O site, O(3) is bonded to one Mg(1), one Mn(2), one Mn(4), and one Mn(6) atom to form a mixture of edge and corner-sharing OMgMn3 trigonal pyramids. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Mn(2), one Mn(5), and one Mn(6) atom. In the fifth O site, O(5) is bonded to one Mg(1), one Mn(1), one Mn(3), and one Mn(6) atom to form corner-sharing OMgMn3 trigonal pyramids. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to one Mn(3), one Mn(4), and one Mn(5) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(5) atom. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one Mn(1), one Mn(4), and one Mn(6) atom. There are four inequivalent F sites. In the first F site, F(1) is bonded in a distorted T-shaped geometry to one Mg(1), one Mn(1), and one Mn(5) atom. In the second F site, F(2) is bonded in a trigonal planar geometry to one Mn(3), one Mn(5), and one Mn(6) atom. In the third F site, F(3) is bonded in a distorted T-shaped geometry to one Mn(2), one Mn(3), and one Mn(4) atom. In the fourth F site, F(4) is bonded in a distorted T-shaped geometry to one Mg(1), one Mn(1), and one Mn(4) atom.
MgMn6(O2F)4 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(2), one O(3), one O(4), one O(5), one F(1), and one F(4) atom to form MgO4F2 octahedra that share corners with two equivalent Mn(3)O3F2 square pyramids,  a cornercorner with one Mn(2)O4F trigonal bipyramid,  a cornercorner with one Mn(6)O4F trigonal bipyramid,  an edgeedge with one Mn(4)O4F2 octahedra,  an edgeedge with one Mn(5)O4F2 octahedra, edges with two equivalent Mn(1)O4F2 octahedra,  an edgeedge with one Mn(2)O4F trigonal bipyramid, and  an edgeedge with one Mn(6)O4F trigonal bipyramid. The Mg(1)-O(2) bond length is 2.15 Å. The Mg(1)-O(3) bond length is 2.08 Å. The Mg(1)-O(4) bond length is 2.05 Å. The Mg(1)-O(5) bond length is 2.14 Å. The Mg(1)-F(1) bond length is 1.96 Å. The Mg(1)-F(4) bond length is 1.98 Å. There are six inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(2), one O(5), one O(7), one O(8), one F(1), and one F(4) atom to form MnO4F2 octahedra that share corners with two equivalent Mn(3)O3F2 square pyramids, corners with two equivalent Mn(2)O4F trigonal bipyramids, corners with two equivalent Mn(6)O4F trigonal bipyramids,  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 Mn(1)-O(2) bond length is 1.99 Å. The Mn(1)-O(5) bond length is 1.98 Å. The Mn(1)-O(7) bond length is 1.98 Å. The Mn(1)-O(8) bond length is 1.96 Å. The Mn(1)-F(1) bond length is 2.21 Å. The Mn(1)-F(4) bond length is 2.21 Å. In the second Mn site, Mn(2) is bonded to one O(2), one O(3), one O(4), one O(7), and one F(3) atom to form distorted MnO4F trigonal bipyramids that share  a cornercorner with one Mg(1)O4F2 octahedra, corners with two equivalent Mn(1)O4F2 octahedra, corners with two equivalent Mn(4)O4F2 octahedra, corners with two equivalent Mn(5)O4F2 octahedra,  an edgeedge with one Mg(1)O4F2 octahedra,  an edgeedge with one Mn(3)O3F2 square pyramid, and  an edgeedge with one Mn(6)O4F trigonal bipyramid. The corner-sharing octahedral tilt angles range from 44-65°. The Mn(2)-O(2) bond length is 2.00 Å. The Mn(2)-O(3) bond length is 2.01 Å. The Mn(2)-O(4) bond length is 1.97 Å. The Mn(2)-O(7) bond length is 1.96 Å. The Mn(2)-F(3) bond length is 2.24 Å. In the third Mn site, Mn(3) is bonded to one O(2), one O(5), one O(6), one F(2), and one F(3) atom to form distorted MnO3F2 square pyramids that share corners with two equivalent Mg(1)O4F2 octahedra, corners with two equivalent Mn(1)O4F2 octahedra, corners with two equivalent Mn(4)O4F2 octahedra, corners with two equivalent Mn(5)O4F2 octahedra,  an edgeedge with one Mn(2)O4F trigonal bipyramid, and  an edgeedge with one Mn(6)O4F trigonal bipyramid. The corner-sharing octahedral tilt angles range from 46-60°. The Mn(3)-O(2) bond length is 2.16 Å. The Mn(3)-O(5) bond length is 2.14 Å. The Mn(3)-O(6) bond length is 2.07 Å. The Mn(3)-F(2) bond length is 2.08 Å. The Mn(3)-F(3) bond length is 2.11 Å. In the fourth Mn site, Mn(4) is bonded to one O(1), one O(3), one O(6), one O(8), one F(3), and one F(4) atom to form MnO4F2 octahedra that share corners with two equivalent Mn(3)O3F2 square pyramids, corners with two equivalent Mn(2)O4F trigonal bipyramids, corners with two equivalent Mn(6)O4F trigonal bipyramids,  an edgeedge with one Mg(1)O4F2 octahedra,  an edgeedge with one Mn(1)O4F2 octahedra, and  an edgeedge with one Mn(5)O4F2 octahedra. The Mn(4)-O(1) bond length is 1.81 Å. The Mn(4)-O(3) bond length is 2.00 Å. The Mn(4)-O(6) bond length is 1.92 Å. The Mn(4)-O(8) bond length is 1.94 Å. The Mn(4)-F(3) bond length is 2.01 Å. The Mn(4)-F(4) bond length is 2.04 Å. In the fifth Mn site, Mn(5) is bonded to one O(1), one O(4), one O(6), one O(7), one F(1), and one F(2) atom to form MnO4F2 octahedra that share corners with two equivalent Mn(3)O3F2 square pyramids, corners with two equivalent Mn(2)O4F trigonal bipyramids, corners with two equivalent Mn(6)O4F trigonal bipyramids,  an edgeedge with one Mg(1)O4F2 octahedra,  an edgeedge with one Mn(1)O4F2 octahedra, and  an edgeedge with one Mn(4)O4F2 octahedra. The Mn(5)-O(1) bond length is 1.88 Å. The Mn(5)-O(4) bond length is 2.16 Å. The Mn(5)-O(6) bond length is 1.92 Å. The Mn(5)-O(7) bond length is 1.94 Å. The Mn(5)-F(1) bond length is 2.07 Å. The Mn(5)-F(2) bond length is 2.13 Å. In the sixth Mn site, Mn(6) is bonded to one O(3), one O(4), one O(5), one O(8), and one F(2) atom to form distorted MnO4F trigonal bipyramids that share  a cornercorner with one Mg(1)O4F2 octahedra, corners with two equivalent Mn(1)O4F2 octahedra, corners with two equivalent Mn(4)O4F2 octahedra, corners with two equivalent Mn(5)O4F2 octahedra,  an edgeedge with one Mg(1)O4F2 octahedra,  an edgeedge with one Mn(3)O3F2 square pyramid, and  an edgeedge with one Mn(2)O4F trigonal bipyramid. The corner-sharing octahedral tilt angles range from 48-66°. The Mn(6)-O(3) bond length is 2.06 Å. The Mn(6)-O(4) bond length is 1.99 Å. The Mn(6)-O(5) bond length is 2.01 Å. The Mn(6)-O(8) bond length is 2.03 Å. The Mn(6)-F(2) bond length is 2.07 Å. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a water-like geometry to one Mn(4) and one Mn(5) atom. In the second O site, O(2) is bonded to one Mg(1), one Mn(1), one Mn(2), and one Mn(3) atom to form a mixture of edge and corner-sharing OMgMn3 trigonal pyramids. In the third O site, O(3) is bonded to one Mg(1), one Mn(2), one Mn(4), and one Mn(6) atom to form a mixture of edge and corner-sharing OMgMn3 trigonal pyramids. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Mn(2), one Mn(5), and one Mn(6) atom. In the fifth O site, O(5) is bonded to one Mg(1), one Mn(1), one Mn(3), and one Mn(6) atom to form corner-sharing OMgMn3 trigonal pyramids. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to one Mn(3), one Mn(4), and one Mn(5) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(5) atom. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one Mn(1), one Mn(4), and one Mn(6) atom. There are four inequivalent F sites. In the first F site, F(1) is bonded in a distorted T-shaped geometry to one Mg(1), one Mn(1), and one Mn(5) atom. In the second F site, F(2) is bonded in a trigonal planar geometry to one Mn(3), one Mn(5), and one Mn(6) atom. In the third F site, F(3) is bonded in a distorted T-shaped geometry to one Mn(2), one Mn(3), and one Mn(4) atom. In the fourth F site, F(4) is bonded in a distorted T-shaped geometry to one Mg(1), one Mn(1), and one Mn(4) atom.