MgMn6(O2F)4 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(3), one O(6), one O(8), one F(1), and one F(4) atom to form MgO4F2 octahedra that share corners with two equivalent Mn(2)O4F2 octahedra, corners with two equivalent Mn(3)O4F2 octahedra, edges with two equivalent Mn(4)O4F2 octahedra, and edges with two equivalent Mn(5)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 36-51°. There are six inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 5-coordinate geometry to one O(1), one O(3), one O(6), one O(8), one F(1), and one F(4) atom. In the second Mn site, Mn(2) is bonded to one O(1), one O(2), one O(4), one O(8), one F(2), and one F(3) atom to form MnO4F2 octahedra that share corners with two equivalent Mg(1)O4F2 octahedra, corners with four equivalent Mn(5)O4F2 octahedra, corners with four equivalent Mn(6)O4F2 octahedra, and  an edgeedge with one Mn(3)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 36-58°. In the third Mn site, Mn(3) is bonded to one O(2), one O(3), one O(5), one O(7), one F(3), and one F(4) atom to form MnO4F2 octahedra that share corners with two equivalent Mg(1)O4F2 octahedra, corners with four equivalent Mn(4)O4F2 octahedra, corners with four equivalent Mn(6)O4F2 octahedra, and  an edgeedge with one Mn(2)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 39-65°. In the fourth Mn site, Mn(4) is bonded to one O(3), one O(5), one O(6), one O(7), one F(1), and one F(4) atom to form MnO4F2 octahedra that share corners with four equivalent Mn(3)O4F2 octahedra,  an edgeedge with one Mn(5)O4F2 octahedra,  an edgeedge with one Mn(6)O4F2 octahedra, and edges with two equivalent Mg(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 47-65°. In the fifth Mn site, Mn(5) is bonded to one O(1), one O(4), one O(6), one O(8), one F(1), and one F(2) atom to form MnO4F2 octahedra that share corners with four equivalent Mn(2)O4F2 octahedra,  an edgeedge with one Mn(4)O4F2 octahedra,  an edgeedge with one Mn(6)O4F2 octahedra, and edges with two equivalent Mg(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 51-58°. In the sixth Mn site, Mn(6) is bonded to one O(2), one O(4), one O(5), one O(7), one F(2), and one F(3) atom to form a mixture of distorted corner and edge-sharing MnO4F2 octahedra. The corner-sharing octahedral tilt angles range from 41-54°. 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 distorted corner and edge-sharing OMgMn3 trigonal pyramids. In the second O site, O(2) is bonded in a 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 distorted corner and edge-sharing OMgMn3 trigonal pyramids. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Mn(2), one Mn(5), and one Mn(6) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Mn(3), one Mn(4), and one Mn(6) atom. In the sixth O site, O(6) is bonded to one Mg(1), one Mn(1), one Mn(4), and one Mn(5) atom to form a mixture of corner and edge-sharing OMgMn3 trigonal pyramids. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Mn(3), one Mn(4), and one Mn(6) atom. In the eighth O site, O(8) 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. 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 a 3-coordinate geometry to one Mn(2), one Mn(3), and one Mn(6) atom. In the fourth F site, F(4) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Mn(1), one Mn(3), and one Mn(4) atom.
MgMn6(O2F)4 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(3), one O(6), one O(8), one F(1), and one F(4) atom to form MgO4F2 octahedra that share corners with two equivalent Mn(2)O4F2 octahedra, corners with two equivalent Mn(3)O4F2 octahedra, edges with two equivalent Mn(4)O4F2 octahedra, and edges with two equivalent Mn(5)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 36-51°. The Mg(1)-O(1) bond length is 2.04 Å. The Mg(1)-O(3) bond length is 2.10 Å. The Mg(1)-O(6) bond length is 1.97 Å. The Mg(1)-O(8) bond length is 2.12 Å. The Mg(1)-F(1) bond length is 1.92 Å. The Mg(1)-F(4) bond length is 2.09 Å. There are six inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 5-coordinate geometry to one O(1), one O(3), one O(6), one O(8), one F(1), and one F(4) atom. The Mn(1)-O(1) bond length is 1.93 Å. The Mn(1)-O(3) bond length is 1.90 Å. The Mn(1)-O(6) bond length is 2.05 Å. The Mn(1)-O(8) bond length is 1.98 Å. The Mn(1)-F(1) bond length is 2.56 Å. The Mn(1)-F(4) bond length is 2.07 Å. In the second Mn site, Mn(2) is bonded to one O(1), one O(2), one O(4), one O(8), one F(2), and one F(3) atom to form MnO4F2 octahedra that share corners with two equivalent Mg(1)O4F2 octahedra, corners with four equivalent Mn(5)O4F2 octahedra, corners with four equivalent Mn(6)O4F2 octahedra, and  an edgeedge with one Mn(3)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 36-58°. The Mn(2)-O(1) bond length is 2.01 Å. The Mn(2)-O(2) bond length is 1.94 Å. The Mn(2)-O(4) bond length is 2.17 Å. The Mn(2)-O(8) bond length is 2.08 Å. The Mn(2)-F(2) bond length is 2.39 Å. The Mn(2)-F(3) bond length is 2.03 Å. In the third Mn site, Mn(3) is bonded to one O(2), one O(3), one O(5), one O(7), one F(3), and one F(4) atom to form MnO4F2 octahedra that share corners with two equivalent Mg(1)O4F2 octahedra, corners with four equivalent Mn(4)O4F2 octahedra, corners with four equivalent Mn(6)O4F2 octahedra, and  an edgeedge with one Mn(2)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 39-65°. The Mn(3)-O(2) bond length is 2.00 Å. The Mn(3)-O(3) bond length is 2.06 Å. The Mn(3)-O(5) bond length is 2.39 Å. The Mn(3)-O(7) bond length is 2.25 Å. The Mn(3)-F(3) bond length is 2.07 Å. The Mn(3)-F(4) bond length is 2.28 Å. In the fourth Mn site, Mn(4) is bonded to one O(3), one O(5), one O(6), one O(7), one F(1), and one F(4) atom to form MnO4F2 octahedra that share corners with four equivalent Mn(3)O4F2 octahedra,  an edgeedge with one Mn(5)O4F2 octahedra,  an edgeedge with one Mn(6)O4F2 octahedra, and edges with two equivalent Mg(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 47-65°. The Mn(4)-O(3) bond length is 2.10 Å. The Mn(4)-O(5) bond length is 1.89 Å. The Mn(4)-O(6) bond length is 2.00 Å. The Mn(4)-O(7) bond length is 1.90 Å. The Mn(4)-F(1) bond length is 2.12 Å. The Mn(4)-F(4) bond length is 2.32 Å. In the fifth Mn site, Mn(5) is bonded to one O(1), one O(4), one O(6), one O(8), one F(1), and one F(2) atom to form MnO4F2 octahedra that share corners with four equivalent Mn(2)O4F2 octahedra,  an edgeedge with one Mn(4)O4F2 octahedra,  an edgeedge with one Mn(6)O4F2 octahedra, and edges with two equivalent Mg(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 51-58°. The Mn(5)-O(1) bond length is 2.18 Å. The Mn(5)-O(4) bond length is 1.89 Å. The Mn(5)-O(6) bond length is 1.99 Å. The Mn(5)-O(8) bond length is 2.16 Å. The Mn(5)-F(1) bond length is 2.22 Å. The Mn(5)-F(2) bond length is 2.07 Å. In the sixth Mn site, Mn(6) is bonded to one O(2), one O(4), one O(5), one O(7), one F(2), and one F(3) atom to form a mixture of distorted corner and edge-sharing MnO4F2 octahedra. The corner-sharing octahedral tilt angles range from 41-54°. The Mn(6)-O(2) bond length is 1.96 Å. The Mn(6)-O(4) bond length is 1.94 Å. The Mn(6)-O(5) bond length is 1.89 Å. The Mn(6)-O(7) bond length is 1.93 Å. The Mn(6)-F(2) bond length is 2.02 Å. The Mn(6)-F(3) bond length is 2.41 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 distorted corner and edge-sharing OMgMn3 trigonal pyramids. In the second O site, O(2) is bonded in a 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 distorted corner and edge-sharing OMgMn3 trigonal pyramids. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Mn(2), one Mn(5), and one Mn(6) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Mn(3), one Mn(4), and one Mn(6) atom. In the sixth O site, O(6) is bonded to one Mg(1), one Mn(1), one Mn(4), and one Mn(5) atom to form a mixture of corner and edge-sharing OMgMn3 trigonal pyramids. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Mn(3), one Mn(4), and one Mn(6) atom. In the eighth O site, O(8) 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. 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 a 3-coordinate geometry to one Mn(2), one Mn(3), and one Mn(6) atom. In the fourth F site, F(4) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Mn(1), one Mn(3), and one Mn(4) atom.