MgMn6(O2F)4 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(2), one O(7), one O(8), one F(2), and one F(3) atom to form MgO4F2 octahedra that share corners with two equivalent Mn(4)O4F square pyramids,  a cornercorner with one Mn(1)O4F trigonal bipyramid,  a cornercorner with one Mn(5)O4F trigonal bipyramid,  an edgeedge with one Mn(6)O3F3 octahedra,  an edgeedge with one Mn(3)O4F2 octahedra, edges with two equivalent Mn(2)O4F2 octahedra,  an edgeedge with one Mn(1)O4F trigonal bipyramid, and  an edgeedge with one Mn(5)O4F trigonal bipyramid. There are six inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(4), one O(7), one O(8), and one F(4) atom to form distorted MnO4F trigonal bipyramids that share  a cornercorner with one Mg(1)O4F2 octahedra,  a cornercorner with one Mn(3)O4F2 octahedra, corners with two equivalent Mn(2)O4F2 octahedra, corners with three equivalent Mn(6)O3F3 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 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 47-61°. In the second Mn site, Mn(2) is bonded to one O(1), one O(3), one O(5), one O(7), one F(2), and one F(3) atom to form MnO4F2 octahedra that share  a cornercorner with one Mn(4)O4F square pyramid, corners with two equivalent Mn(1)O4F trigonal bipyramids, corners with two equivalent Mn(5)O4F trigonal bipyramids,  an edgeedge with one Mn(6)O3F3 octahedra,  an edgeedge with one Mn(3)O4F2 octahedra, and edges with two equivalent Mg(1)O4F2 octahedra. In the third Mn site, Mn(3) is bonded to one O(2), one O(4), one O(5), one O(6), one F(1), and one F(2) atom to form MnO4F2 octahedra that share corners with two equivalent Mn(4)O4F square pyramids,  a cornercorner with one Mn(1)O4F trigonal bipyramid, corners with three equivalent Mn(5)O4F trigonal bipyramids,  an edgeedge with one Mg(1)O4F2 octahedra,  an edgeedge with one Mn(6)O3F3 octahedra, and  an edgeedge with one Mn(2)O4F2 octahedra. In the fourth Mn site, Mn(4) is bonded to one O(2), one O(3), one O(6), one O(8), and one F(4) atom to form distorted MnO4F square pyramids that share  a cornercorner with one Mn(2)O4F2 octahedra, corners with two equivalent Mg(1)O4F2 octahedra, corners with two equivalent Mn(3)O4F2 octahedra, corners with three equivalent Mn(6)O3F3 octahedra,  an edgeedge with one Mn(1)O4F trigonal bipyramid, and  an edgeedge with one Mn(5)O4F trigonal bipyramid. The corner-sharing octahedral tilt angles range from 40-61°. In the fifth Mn site, Mn(5) is bonded to one O(1), one O(2), one O(6), one O(7), and one F(1) atom to form distorted MnO4F trigonal bipyramids that share  a cornercorner with one Mg(1)O4F2 octahedra,  a cornercorner with one Mn(6)O3F3 octahedra, corners with two 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(1)O4F trigonal bipyramid. The corner-sharing octahedral tilt angles range from 37-58°. In the sixth Mn site, Mn(6) is bonded to one O(3), one O(4), one O(8), one F(1), one F(3), and one F(4) atom to form MnO3F3 octahedra that share corners with three equivalent Mn(4)O4F square pyramids,  a cornercorner with one Mn(5)O4F trigonal bipyramid, corners with three equivalent Mn(1)O4F trigonal bipyramids,  an edgeedge with one Mg(1)O4F2 octahedra,  an edgeedge with one Mn(2)O4F2 octahedra, and  an edgeedge with one Mn(3)O4F2 octahedra. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), one Mn(1), one Mn(2), and one Mn(5) atom to form a mixture of corner and edge-sharing OMgMn3 trigonal pyramids. In the second O site, O(2) is bonded in a distorted see-saw-like geometry to one Mg(1), one Mn(3), one Mn(4), and one Mn(5) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Mn(2), one Mn(4), and one Mn(6) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Mn(1), one Mn(3), and one Mn(6) atom. In the fifth O site, O(5) is bonded in a water-like geometry to one Mn(2) and one Mn(3) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Mn(3), one Mn(4), and one Mn(5) atom. In the seventh O site, O(7) is bonded to one Mg(1), one Mn(1), one Mn(2), and one Mn(5) atom to form a mixture of corner and edge-sharing OMgMn3 trigonal pyramids. In the eighth O site, O(8) is bonded to one Mg(1), one Mn(1), one Mn(4), and one Mn(6) atom to form a mixture of distorted corner and edge-sharing OMgMn3 trigonal pyramids. There are four inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Mn(3), one Mn(5), and one Mn(6) atom. In the second F site, F(2) is bonded in a distorted T-shaped geometry to one Mg(1), one Mn(2), and one Mn(3) atom. In the third F site, F(3) is bonded in a 3-coordinate geometry to one Mg(1), one Mn(2), and one Mn(6) atom. In the fourth F site, F(4) is bonded in a trigonal planar geometry to one Mn(1), one Mn(4), and one Mn(6) atom.
MgMn6(O2F)4 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(2), one O(7), one O(8), one F(2), and one F(3) atom to form MgO4F2 octahedra that share corners with two equivalent Mn(4)O4F square pyramids,  a cornercorner with one Mn(1)O4F trigonal bipyramid,  a cornercorner with one Mn(5)O4F trigonal bipyramid,  an edgeedge with one Mn(6)O3F3 octahedra,  an edgeedge with one Mn(3)O4F2 octahedra, edges with two equivalent Mn(2)O4F2 octahedra,  an edgeedge with one Mn(1)O4F trigonal bipyramid, and  an edgeedge with one Mn(5)O4F trigonal bipyramid. The Mg(1)-O(1) bond length is 2.10 Å. The Mg(1)-O(2) bond length is 2.16 Å. The Mg(1)-O(7) bond length is 2.05 Å. The Mg(1)-O(8) bond length is 2.19 Å. The Mg(1)-F(2) bond length is 1.95 Å. The Mg(1)-F(3) bond length is 1.95 Å. There are six inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(4), one O(7), one O(8), and one F(4) atom to form distorted MnO4F trigonal bipyramids that share  a cornercorner with one Mg(1)O4F2 octahedra,  a cornercorner with one Mn(3)O4F2 octahedra, corners with two equivalent Mn(2)O4F2 octahedra, corners with three equivalent Mn(6)O3F3 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 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 47-61°. The Mn(1)-O(1) bond length is 2.04 Å. The Mn(1)-O(4) bond length is 2.02 Å. The Mn(1)-O(7) bond length is 2.03 Å. The Mn(1)-O(8) bond length is 2.02 Å. The Mn(1)-F(4) bond length is 2.18 Å. In the second Mn site, Mn(2) is bonded to one O(1), one O(3), one O(5), one O(7), one F(2), and one F(3) atom to form MnO4F2 octahedra that share  a cornercorner with one Mn(4)O4F square pyramid, corners with two equivalent Mn(1)O4F trigonal bipyramids, corners with two equivalent Mn(5)O4F trigonal bipyramids,  an edgeedge with one Mn(6)O3F3 octahedra,  an edgeedge with one Mn(3)O4F2 octahedra, and edges with two equivalent Mg(1)O4F2 octahedra. The Mn(2)-O(1) bond length is 2.01 Å. The Mn(2)-O(3) bond length is 1.95 Å. The Mn(2)-O(5) bond length is 1.92 Å. The Mn(2)-O(7) bond length is 2.03 Å. The Mn(2)-F(2) bond length is 2.19 Å. The Mn(2)-F(3) bond length is 2.16 Å. In the third Mn site, Mn(3) is bonded to one O(2), one O(4), one O(5), one O(6), one F(1), and one F(2) atom to form MnO4F2 octahedra that share corners with two equivalent Mn(4)O4F square pyramids,  a cornercorner with one Mn(1)O4F trigonal bipyramid, corners with three equivalent Mn(5)O4F trigonal bipyramids,  an edgeedge with one Mg(1)O4F2 octahedra,  an edgeedge with one Mn(6)O3F3 octahedra, and  an edgeedge with one Mn(2)O4F2 octahedra. The Mn(3)-O(2) bond length is 2.03 Å. The Mn(3)-O(4) bond length is 1.86 Å. The Mn(3)-O(5) bond length is 1.81 Å. The Mn(3)-O(6) bond length is 1.92 Å. The Mn(3)-F(1) bond length is 2.09 Å. The Mn(3)-F(2) bond length is 2.04 Å. In the fourth Mn site, Mn(4) is bonded to one O(2), one O(3), one O(6), one O(8), and one F(4) atom to form distorted MnO4F square pyramids that share  a cornercorner with one Mn(2)O4F2 octahedra, corners with two equivalent Mg(1)O4F2 octahedra, corners with two equivalent Mn(3)O4F2 octahedra, corners with three equivalent Mn(6)O3F3 octahedra,  an edgeedge with one Mn(1)O4F trigonal bipyramid, and  an edgeedge with one Mn(5)O4F trigonal bipyramid. The corner-sharing octahedral tilt angles range from 40-61°. The Mn(4)-O(2) bond length is 2.11 Å. The Mn(4)-O(3) bond length is 2.17 Å. The Mn(4)-O(6) bond length is 2.00 Å. The Mn(4)-O(8) bond length is 2.09 Å. The Mn(4)-F(4) bond length is 2.12 Å. In the fifth Mn site, Mn(5) is bonded to one O(1), one O(2), one O(6), one O(7), and one F(1) atom to form distorted MnO4F trigonal bipyramids that share  a cornercorner with one Mg(1)O4F2 octahedra,  a cornercorner with one Mn(6)O3F3 octahedra, corners with two 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(1)O4F trigonal bipyramid. The corner-sharing octahedral tilt angles range from 37-58°. The Mn(5)-O(1) bond length is 1.99 Å. The Mn(5)-O(2) bond length is 1.99 Å. The Mn(5)-O(6) bond length is 1.93 Å. The Mn(5)-O(7) bond length is 1.97 Å. The Mn(5)-F(1) bond length is 2.16 Å. In the sixth Mn site, Mn(6) is bonded to one O(3), one O(4), one O(8), one F(1), one F(3), and one F(4) atom to form MnO3F3 octahedra that share corners with three equivalent Mn(4)O4F square pyramids,  a cornercorner with one Mn(5)O4F trigonal bipyramid, corners with three equivalent Mn(1)O4F trigonal bipyramids,  an edgeedge with one Mg(1)O4F2 octahedra,  an edgeedge with one Mn(2)O4F2 octahedra, and  an edgeedge with one Mn(3)O4F2 octahedra. The Mn(6)-O(3) bond length is 1.92 Å. The Mn(6)-O(4) bond length is 2.01 Å. The Mn(6)-O(8) bond length is 1.97 Å. The Mn(6)-F(1) bond length is 2.12 Å. The Mn(6)-F(3) bond length is 2.22 Å. The Mn(6)-F(4) bond length is 2.02 Å. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), one Mn(1), one Mn(2), and one Mn(5) atom to form a mixture of corner and edge-sharing OMgMn3 trigonal pyramids. In the second O site, O(2) is bonded in a distorted see-saw-like geometry to one Mg(1), one Mn(3), one Mn(4), and one Mn(5) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Mn(2), one Mn(4), and one Mn(6) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Mn(1), one Mn(3), and one Mn(6) atom. In the fifth O site, O(5) is bonded in a water-like geometry to one Mn(2) and one Mn(3) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Mn(3), one Mn(4), and one Mn(5) atom. In the seventh O site, O(7) is bonded to one Mg(1), one Mn(1), one Mn(2), and one Mn(5) atom to form a mixture of corner and edge-sharing OMgMn3 trigonal pyramids. In the eighth O site, O(8) is bonded to one Mg(1), one Mn(1), one Mn(4), and one Mn(6) atom to form a mixture of distorted corner and edge-sharing OMgMn3 trigonal pyramids. There are four inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Mn(3), one Mn(5), and one Mn(6) atom. In the second F site, F(2) is bonded in a distorted T-shaped geometry to one Mg(1), one Mn(2), and one Mn(3) atom. In the third F site, F(3) is bonded in a 3-coordinate geometry to one Mg(1), one Mn(2), and one Mn(6) atom. In the fourth F site, F(4) is bonded in a trigonal planar geometry to one Mn(1), one Mn(4), and one Mn(6) atom.