MgMn6(O2F)4 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(3), one O(4), one O(6), one O(7), one F(1), and one F(4) atom to form distorted MgO4F2 octahedra that share corners with two equivalent Mn(6)O4F trigonal bipyramids, edges with two equivalent Mn(1)O4F2 octahedra, edges with two equivalent Mn(3)O4F2 octahedra,  an edgeedge with one Mn(4)O4F trigonal bipyramid, and  a faceface with one Mn(4)O4F trigonal bipyramid. There are six inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(3), one O(4), one O(8), one F(1), and one F(4) atom to form distorted MnO4F2 octahedra that share corners with three equivalent Mn(4)O4F trigonal bipyramids,  an edgeedge with one Mn(2)O4F2 octahedra,  an edgeedge with one Mn(3)O4F2 octahedra, and edges with two equivalent Mg(1)O4F2 octahedra. In the second Mn site, Mn(2) 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 three equivalent Mn(6)O4F trigonal bipyramids,  an edgeedge with one Mn(1)O4F2 octahedra, and  an edgeedge with one Mn(3)O4F2 octahedra. In the third Mn site, Mn(3) is bonded to one O(2), one O(3), one O(6), one O(7), one F(3), and one F(4) atom to form distorted MnO4F2 octahedra that share corners with three equivalent Mn(4)O4F trigonal bipyramids, corners with three equivalent Mn(6)O4F trigonal bipyramids,  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. In the fourth Mn site, Mn(4) is bonded to one O(3), one O(4), one O(6), one O(7), and one F(1) atom to form distorted MnO4F trigonal bipyramids that share corners with three equivalent Mn(1)O4F2 octahedra, corners with three equivalent Mn(3)O4F2 octahedra,  an edgeedge with one Mg(1)O4F2 octahedra,  an edgeedge with one Mn(6)O4F trigonal bipyramid, and  a faceface with one Mg(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 39-54°. In the fifth Mn site, Mn(5) is bonded in a 5-coordinate geometry to one O(4), one O(5), one O(8), one F(1), and one F(2) atom. In the sixth Mn site, Mn(6) is bonded to one O(2), one O(5), one O(6), one O(7), and one F(2) atom to form MnO4F trigonal bipyramids that share corners with two equivalent Mg(1)O4F2 octahedra, corners with three equivalent Mn(2)O4F2 octahedra, corners with three equivalent Mn(3)O4F2 octahedra, and  an edgeedge with one Mn(4)O4F trigonal bipyramid. The corner-sharing octahedral tilt angles range from 41-56°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a water-like geometry to one Mn(1) and one Mn(2) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Mn(2), one Mn(3), and one Mn(6) atom. In the third O site, O(3) is bonded to one Mg(1), one Mn(1), one Mn(3), and one Mn(4) atom to form a mixture of corner and edge-sharing OMgMn3 trigonal pyramids. In the fourth O site, O(4) is bonded to one Mg(1), one Mn(1), one Mn(4), and one Mn(5) atom to form a mixture of distorted corner and edge-sharing OMgMn3 trigonal pyramids. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Mn(2), one Mn(5), and one Mn(6) atom. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Mn(3), one Mn(4), and one Mn(6) atom. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Mn(3), one Mn(4), and one Mn(6) atom. In the eighth O site, O(8) is bonded in a distorted T-shaped geometry to one Mn(1), one Mn(2), and one Mn(5) atom. There are four inequivalent F sites. In the first F site, F(1) is bonded in a 4-coordinate geometry to one Mg(1), one Mn(1), one Mn(4), and one Mn(5) atom. In the second F site, F(2) is bonded in a 3-coordinate geometry to one Mn(2), one Mn(5), and one Mn(6) atom. In the third F site, F(3) is bonded in an L-shaped geometry to one Mn(2) and one Mn(3) atom. In the fourth F site, F(4) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1), one Mn(1), and one Mn(3) atom.
MgMn6(O2F)4 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(3), one O(4), one O(6), one O(7), one F(1), and one F(4) atom to form distorted MgO4F2 octahedra that share corners with two equivalent Mn(6)O4F trigonal bipyramids, edges with two equivalent Mn(1)O4F2 octahedra, edges with two equivalent Mn(3)O4F2 octahedra,  an edgeedge with one Mn(4)O4F trigonal bipyramid, and  a faceface with one Mn(4)O4F trigonal bipyramid. The Mg(1)-O(3) bond length is 2.04 Å. The Mg(1)-O(4) bond length is 2.06 Å. The Mg(1)-O(6) bond length is 2.05 Å. The Mg(1)-O(7) bond length is 2.07 Å. The Mg(1)-F(1) bond length is 2.23 Å. The Mg(1)-F(4) bond length is 1.96 Å. There are six inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(3), one O(4), one O(8), one F(1), and one F(4) atom to form distorted MnO4F2 octahedra that share corners with three equivalent Mn(4)O4F trigonal bipyramids,  an edgeedge with one Mn(2)O4F2 octahedra,  an edgeedge with one Mn(3)O4F2 octahedra, and edges with two equivalent Mg(1)O4F2 octahedra. The Mn(1)-O(1) bond length is 1.88 Å. The Mn(1)-O(3) bond length is 2.02 Å. The Mn(1)-O(4) bond length is 2.20 Å. The Mn(1)-O(8) bond length is 1.91 Å. The Mn(1)-F(1) bond length is 2.36 Å. The Mn(1)-F(4) bond length is 2.10 Å. In the second Mn site, Mn(2) 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 three equivalent Mn(6)O4F trigonal bipyramids,  an edgeedge with one Mn(1)O4F2 octahedra, and  an edgeedge with one Mn(3)O4F2 octahedra. The Mn(2)-O(1) bond length is 1.82 Å. The Mn(2)-O(2) bond length is 1.95 Å. The Mn(2)-O(5) bond length is 1.91 Å. The Mn(2)-O(8) bond length is 1.93 Å. The Mn(2)-F(2) bond length is 2.55 Å. The Mn(2)-F(3) bond length is 2.01 Å. In the third Mn site, Mn(3) is bonded to one O(2), one O(3), one O(6), one O(7), one F(3), and one F(4) atom to form distorted MnO4F2 octahedra that share corners with three equivalent Mn(4)O4F trigonal bipyramids, corners with three equivalent Mn(6)O4F trigonal bipyramids,  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 Mn(3)-O(2) bond length is 1.88 Å. The Mn(3)-O(3) bond length is 1.94 Å. The Mn(3)-O(6) bond length is 2.40 Å. The Mn(3)-O(7) bond length is 2.19 Å. The Mn(3)-F(3) bond length is 1.96 Å. The Mn(3)-F(4) bond length is 2.08 Å. In the fourth Mn site, Mn(4) is bonded to one O(3), one O(4), one O(6), one O(7), and one F(1) atom to form distorted MnO4F trigonal bipyramids that share corners with three equivalent Mn(1)O4F2 octahedra, corners with three equivalent Mn(3)O4F2 octahedra,  an edgeedge with one Mg(1)O4F2 octahedra,  an edgeedge with one Mn(6)O4F trigonal bipyramid, and  a faceface with one Mg(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 39-54°. The Mn(4)-O(3) bond length is 2.12 Å. The Mn(4)-O(4) bond length is 1.89 Å. The Mn(4)-O(6) bond length is 1.90 Å. The Mn(4)-O(7) bond length is 1.98 Å. The Mn(4)-F(1) bond length is 1.98 Å. In the fifth Mn site, Mn(5) is bonded in a 5-coordinate geometry to one O(4), one O(5), one O(8), one F(1), and one F(2) atom. The Mn(5)-O(4) bond length is 2.05 Å. The Mn(5)-O(5) bond length is 2.04 Å. The Mn(5)-O(8) bond length is 2.03 Å. The Mn(5)-F(1) bond length is 2.57 Å. The Mn(5)-F(2) bond length is 2.10 Å. In the sixth Mn site, Mn(6) is bonded to one O(2), one O(5), one O(6), one O(7), and one F(2) atom to form MnO4F trigonal bipyramids that share corners with two equivalent Mg(1)O4F2 octahedra, corners with three equivalent Mn(2)O4F2 octahedra, corners with three equivalent Mn(3)O4F2 octahedra, and  an edgeedge with one Mn(4)O4F trigonal bipyramid. The corner-sharing octahedral tilt angles range from 41-56°. The Mn(6)-O(2) bond length is 2.11 Å. The Mn(6)-O(5) bond length is 1.93 Å. The Mn(6)-O(6) bond length is 1.97 Å. The Mn(6)-O(7) bond length is 1.99 Å. The Mn(6)-F(2) bond length is 2.03 Å. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a water-like geometry to one Mn(1) and one Mn(2) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Mn(2), one Mn(3), and one Mn(6) atom. In the third O site, O(3) is bonded to one Mg(1), one Mn(1), one Mn(3), and one Mn(4) atom to form a mixture of corner and edge-sharing OMgMn3 trigonal pyramids. In the fourth O site, O(4) is bonded to one Mg(1), one Mn(1), one Mn(4), and one Mn(5) atom to form a mixture of distorted corner and edge-sharing OMgMn3 trigonal pyramids. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Mn(2), one Mn(5), and one Mn(6) atom. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Mn(3), one Mn(4), and one Mn(6) atom. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Mn(3), one Mn(4), and one Mn(6) atom. In the eighth O site, O(8) is bonded in a distorted T-shaped geometry to one Mn(1), one Mn(2), and one Mn(5) atom. There are four inequivalent F sites. In the first F site, F(1) is bonded in a 4-coordinate geometry to one Mg(1), one Mn(1), one Mn(4), and one Mn(5) atom. In the second F site, F(2) is bonded in a 3-coordinate geometry to one Mn(2), one Mn(5), and one Mn(6) atom. In the third F site, F(3) is bonded in an L-shaped geometry to one Mn(2) and one Mn(3) atom. In the fourth F site, F(4) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1), one Mn(1), and one Mn(3) atom.