MgMn6(O5F)2 crystallizes in the monoclinic Pm space group. Mg(1) is bonded to one O(8), two equivalent O(3), two equivalent O(9), and one F(2) atom to form MgO5F octahedra that share corners with two equivalent Mn(3)O5 square pyramids, corners with two equivalent Mn(6)O5 square pyramids, edges with two equivalent Mg(1)O5F octahedra, edges with two equivalent Mn(1)O4F2 octahedra, edges with two equivalent Mn(4)O6 octahedra,  an edgeedge with one Mn(3)O5 square pyramid, and  an edgeedge with one Mn(6)O5 square pyramid. There are six inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(2), one O(3), two equivalent O(1), and two equivalent F(2) atoms to form distorted MnO4F2 octahedra that share corners with two equivalent Mn(2)O4F2 octahedra, corners with four equivalent Mn(3)O5 square pyramids, edges with two equivalent Mg(1)O5F octahedra, and edges with two equivalent Mn(1)O4F2 octahedra. The corner-sharing octahedral tilt angles are 51°. In the second Mn site, Mn(2) is bonded to one O(1), one O(5), two equivalent O(10), and two equivalent F(1) atoms to form MnO4F2 octahedra that share corners with two equivalent Mn(1)O4F2 octahedra, corners with two equivalent Mn(4)O6 octahedra, corners with four equivalent Mn(5)O5F octahedra, and edges with two equivalent Mn(2)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 47-52°. In the third Mn site, Mn(3) is bonded to one O(6), two equivalent O(2), and two equivalent O(3) atoms to form distorted MnO5 square pyramids that share corners with two equivalent Mg(1)O5F octahedra, corners with two equivalent Mn(5)O5F octahedra, corners with four equivalent Mn(1)O4F2 octahedra,  an edgeedge with one Mg(1)O5F octahedra, and edges with two equivalent Mn(3)O5 square pyramids. The corner-sharing octahedral tilt angles range from 34-60°. In the fourth Mn site, Mn(4) is bonded to one O(4), one O(9), two equivalent O(5), and two equivalent O(8) atoms to form distorted MnO6 octahedra that share corners with two equivalent Mn(2)O4F2 octahedra, corners with four equivalent Mn(6)O5 square pyramids, edges with two equivalent Mg(1)O5F octahedra, and edges with two equivalent Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles are 52°. In the fifth Mn site, Mn(5) is bonded to one O(10), two equivalent O(6), two equivalent O(7), and one F(1) atom to form MnO5F octahedra that share corners with four equivalent Mn(2)O4F2 octahedra, corners with two equivalent Mn(3)O5 square pyramids, corners with two equivalent Mn(6)O5 square pyramids, and edges with two equivalent Mn(5)O5F octahedra. The corner-sharing octahedral tilt angles range from 47-51°. In the sixth Mn site, Mn(6) is bonded to one O(7), two equivalent O(4), and two equivalent O(9) atoms to form distorted MnO5 square pyramids that share corners with two equivalent Mg(1)O5F octahedra, corners with two equivalent Mn(5)O5F octahedra, corners with four equivalent Mn(4)O6 octahedra,  an edgeedge with one Mg(1)O5F octahedra, and edges with two equivalent Mn(6)O5 square pyramids. The corner-sharing octahedral tilt angles range from 29-58°. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Mn(2) and two equivalent Mn(1) atoms. In the second O site, O(2) is bonded in a trigonal planar geometry to one Mn(1) and two equivalent Mn(3) atoms. In the third O site, O(3) is bonded to two equivalent Mg(1), one Mn(1), and two equivalent Mn(3) atoms to form a mixture of distorted corner and edge-sharing OMg2Mn3 trigonal bipyramids. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Mn(4) and two equivalent Mn(6) atoms. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Mn(2) and two equivalent Mn(4) atoms. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Mn(3) and two equivalent Mn(5) atoms. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Mn(6) and two equivalent Mn(5) atoms. In the eighth O site, O(8) is bonded in a trigonal non-coplanar geometry to one Mg(1) and two equivalent Mn(4) atoms. In the ninth O site, O(9) is bonded to two equivalent Mg(1), one Mn(4), and two equivalent Mn(6) atoms to form a mixture of distorted corner and edge-sharing OMg2Mn3 trigonal bipyramids. In the tenth O site, O(10) is bonded in a trigonal planar geometry to one Mn(5) and two equivalent Mn(2) atoms. There are two inequivalent F sites. In the first F site, F(1) is bonded in a distorted T-shaped geometry to one Mn(5) and two equivalent Mn(2) atoms. In the second F site, F(2) is bonded in a trigonal non-coplanar geometry to one Mg(1) and two equivalent Mn(1) atoms.
MgMn6(O5F)2 crystallizes in the monoclinic Pm space group. Mg(1) is bonded to one O(8), two equivalent O(3), two equivalent O(9), and one F(2) atom to form MgO5F octahedra that share corners with two equivalent Mn(3)O5 square pyramids, corners with two equivalent Mn(6)O5 square pyramids, edges with two equivalent Mg(1)O5F octahedra, edges with two equivalent Mn(1)O4F2 octahedra, edges with two equivalent Mn(4)O6 octahedra,  an edgeedge with one Mn(3)O5 square pyramid, and  an edgeedge with one Mn(6)O5 square pyramid. The Mg(1)-O(8) bond length is 1.97 Å. Both Mg(1)-O(3) bond lengths are 2.15 Å. Both Mg(1)-O(9) bond lengths are 2.14 Å. The Mg(1)-F(2) 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(3), two equivalent O(1), and two equivalent F(2) atoms to form distorted MnO4F2 octahedra that share corners with two equivalent Mn(2)O4F2 octahedra, corners with four equivalent Mn(3)O5 square pyramids, edges with two equivalent Mg(1)O5F octahedra, and edges with two equivalent Mn(1)O4F2 octahedra. The corner-sharing octahedral tilt angles are 51°. The Mn(1)-O(2) bond length is 2.04 Å. The Mn(1)-O(3) bond length is 2.42 Å. Both Mn(1)-O(1) bond lengths are 1.91 Å. Both Mn(1)-F(2) bond lengths are 2.10 Å. In the second Mn site, Mn(2) is bonded to one O(1), one O(5), two equivalent O(10), and two equivalent F(1) atoms to form MnO4F2 octahedra that share corners with two equivalent Mn(1)O4F2 octahedra, corners with two equivalent Mn(4)O6 octahedra, corners with four equivalent Mn(5)O5F octahedra, and edges with two equivalent Mn(2)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 47-52°. The Mn(2)-O(1) bond length is 1.97 Å. The Mn(2)-O(5) bond length is 1.95 Å. Both Mn(2)-O(10) bond lengths are 1.92 Å. Both Mn(2)-F(1) bond lengths are 2.05 Å. In the third Mn site, Mn(3) is bonded to one O(6), two equivalent O(2), and two equivalent O(3) atoms to form distorted MnO5 square pyramids that share corners with two equivalent Mg(1)O5F octahedra, corners with two equivalent Mn(5)O5F octahedra, corners with four equivalent Mn(1)O4F2 octahedra,  an edgeedge with one Mg(1)O5F octahedra, and edges with two equivalent Mn(3)O5 square pyramids. The corner-sharing octahedral tilt angles range from 34-60°. The Mn(3)-O(6) bond length is 2.00 Å. Both Mn(3)-O(2) bond lengths are 1.91 Å. Both Mn(3)-O(3) bond lengths are 2.06 Å. In the fourth Mn site, Mn(4) is bonded to one O(4), one O(9), two equivalent O(5), and two equivalent O(8) atoms to form distorted MnO6 octahedra that share corners with two equivalent Mn(2)O4F2 octahedra, corners with four equivalent Mn(6)O5 square pyramids, edges with two equivalent Mg(1)O5F octahedra, and edges with two equivalent Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles are 52°. The Mn(4)-O(4) bond length is 1.97 Å. The Mn(4)-O(9) bond length is 2.46 Å. Both Mn(4)-O(5) bond lengths are 1.95 Å. Both Mn(4)-O(8) bond lengths are 1.94 Å. In the fifth Mn site, Mn(5) is bonded to one O(10), two equivalent O(6), two equivalent O(7), and one F(1) atom to form MnO5F octahedra that share corners with four equivalent Mn(2)O4F2 octahedra, corners with two equivalent Mn(3)O5 square pyramids, corners with two equivalent Mn(6)O5 square pyramids, and edges with two equivalent Mn(5)O5F octahedra. The corner-sharing octahedral tilt angles range from 47-51°. The Mn(5)-O(10) bond length is 1.99 Å. Both Mn(5)-O(6) bond lengths are 1.93 Å. Both Mn(5)-O(7) bond lengths are 1.94 Å. The Mn(5)-F(1) bond length is 2.23 Å. In the sixth Mn site, Mn(6) is bonded to one O(7), two equivalent O(4), and two equivalent O(9) atoms to form distorted MnO5 square pyramids that share corners with two equivalent Mg(1)O5F octahedra, corners with two equivalent Mn(5)O5F octahedra, corners with four equivalent Mn(4)O6 octahedra,  an edgeedge with one Mg(1)O5F octahedra, and edges with two equivalent Mn(6)O5 square pyramids. The corner-sharing octahedral tilt angles range from 29-58°. The Mn(6)-O(7) bond length is 1.97 Å. Both Mn(6)-O(4) bond lengths are 1.92 Å. Both Mn(6)-O(9) bond lengths are 2.05 Å. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Mn(2) and two equivalent Mn(1) atoms. In the second O site, O(2) is bonded in a trigonal planar geometry to one Mn(1) and two equivalent Mn(3) atoms. In the third O site, O(3) is bonded to two equivalent Mg(1), one Mn(1), and two equivalent Mn(3) atoms to form a mixture of distorted corner and edge-sharing OMg2Mn3 trigonal bipyramids. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Mn(4) and two equivalent Mn(6) atoms. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Mn(2) and two equivalent Mn(4) atoms. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Mn(3) and two equivalent Mn(5) atoms. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Mn(6) and two equivalent Mn(5) atoms. In the eighth O site, O(8) is bonded in a trigonal non-coplanar geometry to one Mg(1) and two equivalent Mn(4) atoms. In the ninth O site, O(9) is bonded to two equivalent Mg(1), one Mn(4), and two equivalent Mn(6) atoms to form a mixture of distorted corner and edge-sharing OMg2Mn3 trigonal bipyramids. In the tenth O site, O(10) is bonded in a trigonal planar geometry to one Mn(5) and two equivalent Mn(2) atoms. There are two inequivalent F sites. In the first F site, F(1) is bonded in a distorted T-shaped geometry to one Mn(5) and two equivalent Mn(2) atoms. In the second F site, F(2) is bonded in a trigonal non-coplanar geometry to one Mg(1) and two equivalent Mn(1) atoms.