MgMn6(O2F)4 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(2), two equivalent O(1), two equivalent O(6), and one F(1) atom to form MgO5F octahedra that share corners with two equivalent Mn(1)O4F2 octahedra, corners with two equivalent Mn(5)O4F2 octahedra, corners with two equivalent Mn(3)O4F square pyramids, edges with two equivalent Mg(1)O5F octahedra, edges with two equivalent Mn(2)O2F4 octahedra,  a faceface with one Mn(1)O4F2 octahedra, and  a faceface with one Mn(5)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 29-45°. 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(4) atoms to form distorted MnO4F2 octahedra that share corners with two equivalent Mg(1)O5F octahedra, corners with two equivalent Mn(2)O2F4 octahedra, corners with two equivalent Mn(6)O5F octahedra, corners with four equivalent Mn(3)O4F square pyramids, edges with two equivalent Mn(1)O4F2 octahedra, and  a faceface with one Mg(1)O5F octahedra. The corner-sharing octahedral tilt angles range from 44-52°. In the second Mn site, Mn(2) is bonded to one O(1), one O(5), two equivalent F(1), and two equivalent F(3) atoms to form MnO2F4 octahedra that share corners with two equivalent Mn(1)O4F2 octahedra, corners with two equivalent Mn(4)O4F2 octahedra, corners with four equivalent Mn(5)O4F2 octahedra, edges with two equivalent Mg(1)O5F octahedra, and edges with two equivalent Mn(2)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 47-57°. In the third Mn site, Mn(3) is bonded to two equivalent O(2), two equivalent O(3), and one F(2) atom to form MnO4F square pyramids that share corners with two equivalent Mg(1)O5F octahedra, corners with two equivalent Mn(4)O4F2 octahedra, corners with four equivalent Mn(1)O4F2 octahedra, and edges with two equivalent Mn(3)O4F square pyramids. The corner-sharing octahedral tilt angles range from 46-78°. In the fourth Mn site, Mn(4) is bonded to one O(4), one O(8), two equivalent O(5), and two equivalent F(2) atoms to form MnO4F2 octahedra that share corners with two equivalent Mn(2)O2F4 octahedra, corners with four equivalent Mn(6)O5F octahedra, corners with two equivalent Mn(3)O4F square pyramids, and edges with two equivalent Mn(4)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 50-53°. In the fifth Mn site, Mn(5) is bonded to two equivalent O(6), two equivalent O(7), one F(1), and one F(3) atom to form distorted MnO4F2 octahedra that share corners with two equivalent Mg(1)O5F octahedra, corners with two equivalent Mn(6)O5F octahedra, corners with four equivalent Mn(2)O2F4 octahedra, edges with two equivalent Mn(5)O4F2 octahedra, and  a faceface with one Mg(1)O5F octahedra. The corner-sharing octahedral tilt angles range from 29-57°. In the sixth Mn site, Mn(6) is bonded to one O(7), two equivalent O(4), two equivalent O(8), and one F(4) atom to form MnO5F octahedra that share corners with two equivalent Mn(1)O4F2 octahedra, corners with two equivalent Mn(5)O4F2 octahedra, corners with four equivalent Mn(4)O4F2 octahedra, and edges with two equivalent Mn(6)O5F octahedra. The corner-sharing octahedral tilt angles range from 45-55°. There are eight inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Mg(1), one Mn(2), and two equivalent Mn(1) atoms to form distorted edge-sharing OMg2Mn3 trigonal bipyramids. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Mg(1), one Mn(1), and two equivalent Mn(3) atoms. In the third O site, O(3) is bonded in a trigonal planar geometry to one Mn(1) and two equivalent Mn(3) atoms. 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 distorted rectangular see-saw-like geometry to two equivalent Mg(1) 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 distorted trigonal planar geometry to one Mn(4) and two equivalent Mn(6) atoms. There are four inequivalent F sites. In the first F site, F(1) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Mn(5), and two equivalent Mn(2) atoms. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Mn(3) and two equivalent Mn(4) atoms. In the third F site, F(3) is bonded in a trigonal planar geometry to one Mn(5) and two equivalent Mn(2) atoms. In the fourth F site, F(4) is bonded in a distorted T-shaped geometry to one Mn(6) and two equivalent Mn(1) atoms.
MgMn6(O2F)4 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(2), two equivalent O(1), two equivalent O(6), and one F(1) atom to form MgO5F octahedra that share corners with two equivalent Mn(1)O4F2 octahedra, corners with two equivalent Mn(5)O4F2 octahedra, corners with two equivalent Mn(3)O4F square pyramids, edges with two equivalent Mg(1)O5F octahedra, edges with two equivalent Mn(2)O2F4 octahedra,  a faceface with one Mn(1)O4F2 octahedra, and  a faceface with one Mn(5)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 29-45°. The Mg(1)-O(2) bond length is 1.97 Å. Both Mg(1)-O(1) bond lengths are 2.12 Å. There is one shorter (2.09 Å) and one longer (2.10 Å) Mg(1)-O(6) bond length. The Mg(1)-F(1) bond length is 2.07 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(4) atoms to form distorted MnO4F2 octahedra that share corners with two equivalent Mg(1)O5F octahedra, corners with two equivalent Mn(2)O2F4 octahedra, corners with two equivalent Mn(6)O5F octahedra, corners with four equivalent Mn(3)O4F square pyramids, edges with two equivalent Mn(1)O4F2 octahedra, and  a faceface with one Mg(1)O5F octahedra. The corner-sharing octahedral tilt angles range from 44-52°. The Mn(1)-O(2) bond length is 2.34 Å. The Mn(1)-O(3) bond length is 2.01 Å. There is one shorter (2.16 Å) and one longer (2.29 Å) Mn(1)-O(1) bond length. There is one shorter (2.10 Å) and one longer (2.14 Å) Mn(1)-F(4) bond length. In the second Mn site, Mn(2) is bonded to one O(1), one O(5), two equivalent F(1), and two equivalent F(3) atoms to form MnO2F4 octahedra that share corners with two equivalent Mn(1)O4F2 octahedra, corners with two equivalent Mn(4)O4F2 octahedra, corners with four equivalent Mn(5)O4F2 octahedra, edges with two equivalent Mg(1)O5F octahedra, and edges with two equivalent Mn(2)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 47-57°. The Mn(2)-O(1) bond length is 2.12 Å. The Mn(2)-O(5) bond length is 2.00 Å. There is one shorter (2.06 Å) and one longer (2.07 Å) Mn(2)-F(1) bond length. There is one shorter (2.01 Å) and one longer (2.02 Å) Mn(2)-F(3) bond length. In the third Mn site, Mn(3) is bonded to two equivalent O(2), two equivalent O(3), and one F(2) atom to form MnO4F square pyramids that share corners with two equivalent Mg(1)O5F octahedra, corners with two equivalent Mn(4)O4F2 octahedra, corners with four equivalent Mn(1)O4F2 octahedra, and edges with two equivalent Mn(3)O4F square pyramids. The corner-sharing octahedral tilt angles range from 46-78°. Both Mn(3)-O(2) bond lengths are 2.00 Å. Both Mn(3)-O(3) bond lengths are 1.95 Å. The Mn(3)-F(2) bond length is 2.21 Å. In the fourth Mn site, Mn(4) is bonded to one O(4), one O(8), two equivalent O(5), and two equivalent F(2) atoms to form MnO4F2 octahedra that share corners with two equivalent Mn(2)O2F4 octahedra, corners with four equivalent Mn(6)O5F octahedra, corners with two equivalent Mn(3)O4F square pyramids, and edges with two equivalent Mn(4)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 50-53°. The Mn(4)-O(4) bond length is 2.16 Å. The Mn(4)-O(8) bond length is 2.25 Å. Both Mn(4)-O(5) bond lengths are 1.95 Å. Both Mn(4)-F(2) bond lengths are 2.05 Å. In the fifth Mn site, Mn(5) is bonded to two equivalent O(6), two equivalent O(7), one F(1), and one F(3) atom to form distorted MnO4F2 octahedra that share corners with two equivalent Mg(1)O5F octahedra, corners with two equivalent Mn(6)O5F octahedra, corners with four equivalent Mn(2)O2F4 octahedra, edges with two equivalent Mn(5)O4F2 octahedra, and  a faceface with one Mg(1)O5F octahedra. The corner-sharing octahedral tilt angles range from 29-57°. Both Mn(5)-O(6) bond lengths are 2.04 Å. Both Mn(5)-O(7) bond lengths are 1.91 Å. The Mn(5)-F(1) bond length is 2.23 Å. The Mn(5)-F(3) bond length is 2.10 Å. In the sixth Mn site, Mn(6) is bonded to one O(7), two equivalent O(4), two equivalent O(8), and one F(4) atom to form MnO5F octahedra that share corners with two equivalent Mn(1)O4F2 octahedra, corners with two equivalent Mn(5)O4F2 octahedra, corners with four equivalent Mn(4)O4F2 octahedra, and edges with two equivalent Mn(6)O5F octahedra. The corner-sharing octahedral tilt angles range from 45-55°. The Mn(6)-O(7) bond length is 1.90 Å. There is one shorter (1.96 Å) and one longer (1.97 Å) Mn(6)-O(4) bond length. There is one shorter (1.96 Å) and one longer (1.97 Å) Mn(6)-O(8) bond length. The Mn(6)-F(4) bond length is 2.05 Å. There are eight inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Mg(1), one Mn(2), and two equivalent Mn(1) atoms to form distorted edge-sharing OMg2Mn3 trigonal bipyramids. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Mg(1), one Mn(1), and two equivalent Mn(3) atoms. In the third O site, O(3) is bonded in a trigonal planar geometry to one Mn(1) and two equivalent Mn(3) atoms. 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 distorted rectangular see-saw-like geometry to two equivalent Mg(1) 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 distorted trigonal planar geometry to one Mn(4) and two equivalent Mn(6) atoms. There are four inequivalent F sites. In the first F site, F(1) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Mn(5), and two equivalent Mn(2) atoms. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Mn(3) and two equivalent Mn(4) atoms. In the third F site, F(3) is bonded in a trigonal planar geometry to one Mn(5) and two equivalent Mn(2) atoms. In the fourth F site, F(4) is bonded in a distorted T-shaped geometry to one Mn(6) and two equivalent Mn(1) atoms.