MgMn6(O3F)3 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(4), one O(7), one O(9), one F(1), and one F(2) atom to form MgO4F2 octahedra that share corners with two equivalent Mn(1)O4F2 octahedra, corners with two equivalent Mn(3)O4F2 octahedra,  a cornercorner with one Mn(5)O4F square pyramid,  a cornercorner with one Mn(6)O4F square pyramid,  an edgeedge with one Mn(5)O4F square pyramid,  an edgeedge with one Mn(6)O4F square pyramid, and faces with two equivalent Mn(2)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 40-52°. There are six inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(2), one O(3), one O(6), one O(9), one F(1), and one F(3) atom to form distorted MnO4F2 octahedra that share corners with two equivalent Mg(1)O4F2 octahedra, corners with three equivalent Mn(4)O4F square pyramids, corners with three equivalent Mn(5)O4F square pyramids,  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 40-52°. In the second Mn site, Mn(2) is bonded to one O(1), one O(4), one O(7), one O(9), one F(1), and one F(2) atom to form MnO4F2 octahedra that share corners with three equivalent Mn(5)O4F square pyramids, corners with three equivalent Mn(6)O4F square pyramids,  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. In the third Mn site, Mn(3) is bonded to one O(1), one O(2), one O(5), one O(8), one F(2), and one F(3) atom to form distorted MnO4F2 octahedra that share corners with two equivalent Mg(1)O4F2 octahedra, corners with three equivalent Mn(4)O4F square pyramids, corners with three equivalent Mn(6)O4F square pyramids,  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 41-48°. In the fourth Mn site, Mn(4) is bonded to one O(3), one O(5), one O(6), one O(8), and one F(3) atom to form MnO4F square pyramids that share corners with three equivalent Mn(1)O4F2 octahedra, corners with three equivalent Mn(3)O4F2 octahedra,  an edgeedge with one Mn(5)O4F square pyramid, and  an edgeedge with one Mn(6)O4F square pyramid. The corner-sharing octahedral tilt angles range from 39-52°. In the fifth Mn site, Mn(5) is bonded to one O(3), one O(4), one O(6), one O(7), and one F(1) atom to form MnO4F square pyramids that share  a cornercorner with one Mg(1)O4F2 octahedra, corners with three equivalent Mn(1)O4F2 octahedra, corners with three equivalent Mn(2)O4F2 octahedra,  an edgeedge with one Mg(1)O4F2 octahedra,  an edgeedge with one Mn(4)O4F square pyramid, and  an edgeedge with one Mn(6)O4F square pyramid. The corner-sharing octahedral tilt angles range from 35-74°. In the sixth Mn site, Mn(6) is bonded to one O(4), one O(5), one O(7), one O(8), and one F(2) atom to form distorted MnO4F square pyramids that share  a cornercorner with one Mg(1)O4F2 octahedra, corners with three equivalent Mn(2)O4F2 octahedra, corners with three equivalent Mn(3)O4F2 octahedra,  an edgeedge with one Mg(1)O4F2 octahedra,  an edgeedge with one Mn(4)O4F square pyramid, and  an edgeedge with one Mn(5)O4F square pyramid. The corner-sharing octahedral tilt angles range from 41-76°. There are nine inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Mg(1), one Mn(2), and one Mn(3) atom. In the second O site, O(2) is bonded in a water-like geometry to one Mn(1) and one Mn(3) atom. 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(2), one Mn(5), and one Mn(6) atom to form a mixture of edge and corner-sharing OMgMn3 trigonal pyramids. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Mn(3), one Mn(4), and one Mn(6) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(4), and one Mn(5) atom. In the seventh O site, O(7) is bonded to one Mg(1), one Mn(2), one Mn(5), and one Mn(6) atom to form a mixture of edge and corner-sharing OMgMn3 trigonal pyramids. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Mn(3), one Mn(4), and one Mn(6) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Mg(1), one Mn(1), and one Mn(2) atom. There are three inequivalent F sites. In the first F site, F(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 F site, F(2) is bonded in a 4-coordinate geometry to one Mg(1), one Mn(2), one Mn(3), and one Mn(6) atom. In the third F site, F(3) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(3), and one Mn(4) atom.
MgMn6(O3F)3 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(4), one O(7), one O(9), one F(1), and one F(2) atom to form MgO4F2 octahedra that share corners with two equivalent Mn(1)O4F2 octahedra, corners with two equivalent Mn(3)O4F2 octahedra,  a cornercorner with one Mn(5)O4F square pyramid,  a cornercorner with one Mn(6)O4F square pyramid,  an edgeedge with one Mn(5)O4F square pyramid,  an edgeedge with one Mn(6)O4F square pyramid, and faces with two equivalent Mn(2)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 40-52°. The Mg(1)-O(1) bond length is 2.16 Å. The Mg(1)-O(4) bond length is 1.99 Å. The Mg(1)-O(7) bond length is 2.01 Å. The Mg(1)-O(9) bond length is 2.09 Å. The Mg(1)-F(1) bond length is 2.01 Å. The Mg(1)-F(2) bond length is 2.04 Å. There are six inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(2), one O(3), one O(6), one O(9), one F(1), and one F(3) atom to form distorted MnO4F2 octahedra that share corners with two equivalent Mg(1)O4F2 octahedra, corners with three equivalent Mn(4)O4F square pyramids, corners with three equivalent Mn(5)O4F square pyramids,  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 40-52°. The Mn(1)-O(2) bond length is 1.91 Å. The Mn(1)-O(3) bond length is 1.98 Å. The Mn(1)-O(6) bond length is 1.97 Å. The Mn(1)-O(9) bond length is 1.93 Å. The Mn(1)-F(1) bond length is 2.64 Å. The Mn(1)-F(3) bond length is 2.20 Å. In the second Mn site, Mn(2) is bonded to one O(1), one O(4), one O(7), one O(9), one F(1), and one F(2) atom to form MnO4F2 octahedra that share corners with three equivalent Mn(5)O4F square pyramids, corners with three equivalent Mn(6)O4F square pyramids,  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 Mn(2)-O(1) bond length is 1.93 Å. The Mn(2)-O(4) bond length is 1.99 Å. The Mn(2)-O(7) bond length is 1.99 Å. The Mn(2)-O(9) bond length is 1.89 Å. The Mn(2)-F(1) bond length is 2.16 Å. The Mn(2)-F(2) bond length is 2.18 Å. In the third Mn site, Mn(3) is bonded to one O(1), one O(2), one O(5), one O(8), one F(2), and one F(3) atom to form distorted MnO4F2 octahedra that share corners with two equivalent Mg(1)O4F2 octahedra, corners with three equivalent Mn(4)O4F square pyramids, corners with three equivalent Mn(6)O4F square pyramids,  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 41-48°. The Mn(3)-O(1) bond length is 1.88 Å. The Mn(3)-O(2) bond length is 1.79 Å. The Mn(3)-O(5) bond length is 1.95 Å. The Mn(3)-O(8) bond length is 1.98 Å. The Mn(3)-F(2) bond length is 2.35 Å. The Mn(3)-F(3) bond length is 1.99 Å. In the fourth Mn site, Mn(4) is bonded to one O(3), one O(5), one O(6), one O(8), and one F(3) atom to form MnO4F square pyramids that share corners with three equivalent Mn(1)O4F2 octahedra, corners with three equivalent Mn(3)O4F2 octahedra,  an edgeedge with one Mn(5)O4F square pyramid, and  an edgeedge with one Mn(6)O4F square pyramid. The corner-sharing octahedral tilt angles range from 39-52°. The Mn(4)-O(3) bond length is 1.93 Å. The Mn(4)-O(5) bond length is 1.96 Å. The Mn(4)-O(6) bond length is 1.93 Å. The Mn(4)-O(8) bond length is 1.95 Å. The Mn(4)-F(3) bond length is 2.45 Å. In the fifth Mn site, Mn(5) is bonded to one O(3), one O(4), one O(6), one O(7), and one F(1) atom to form MnO4F square pyramids that share  a cornercorner with one Mg(1)O4F2 octahedra, corners with three equivalent Mn(1)O4F2 octahedra, corners with three equivalent Mn(2)O4F2 octahedra,  an edgeedge with one Mg(1)O4F2 octahedra,  an edgeedge with one Mn(4)O4F square pyramid, and  an edgeedge with one Mn(6)O4F square pyramid. The corner-sharing octahedral tilt angles range from 35-74°. The Mn(5)-O(3) bond length is 1.90 Å. The Mn(5)-O(4) bond length is 1.96 Å. The Mn(5)-O(6) bond length is 1.91 Å. The Mn(5)-O(7) bond length is 2.01 Å. The Mn(5)-F(1) bond length is 2.27 Å. In the sixth Mn site, Mn(6) is bonded to one O(4), one O(5), one O(7), one O(8), and one F(2) atom to form distorted MnO4F square pyramids that share  a cornercorner with one Mg(1)O4F2 octahedra, corners with three equivalent Mn(2)O4F2 octahedra, corners with three equivalent Mn(3)O4F2 octahedra,  an edgeedge with one Mg(1)O4F2 octahedra,  an edgeedge with one Mn(4)O4F square pyramid, and  an edgeedge with one Mn(5)O4F square pyramid. The corner-sharing octahedral tilt angles range from 41-76°. The Mn(6)-O(4) bond length is 1.99 Å. The Mn(6)-O(5) bond length is 1.91 Å. The Mn(6)-O(7) bond length is 1.94 Å. The Mn(6)-O(8) bond length is 1.90 Å. The Mn(6)-F(2) bond length is 2.46 Å. There are nine inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Mg(1), one Mn(2), and one Mn(3) atom. In the second O site, O(2) is bonded in a water-like geometry to one Mn(1) and one Mn(3) atom. 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(2), one Mn(5), and one Mn(6) atom to form a mixture of edge and corner-sharing OMgMn3 trigonal pyramids. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Mn(3), one Mn(4), and one Mn(6) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(4), and one Mn(5) atom. In the seventh O site, O(7) is bonded to one Mg(1), one Mn(2), one Mn(5), and one Mn(6) atom to form a mixture of edge and corner-sharing OMgMn3 trigonal pyramids. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Mn(3), one Mn(4), and one Mn(6) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Mg(1), one Mn(1), and one Mn(2) atom. There are three inequivalent F sites. In the first F site, F(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 F site, F(2) is bonded in a 4-coordinate geometry to one Mg(1), one Mn(2), one Mn(3), and one Mn(6) atom. In the third F site, F(3) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(3), and one Mn(4) atom.