MgMn6(OF2)4 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(2), one F(3), one F(4), one F(5), and one F(8) atom to form MgO2F4 octahedra that share corners with two equivalent Mn(3)O2F4 octahedra,  a cornercorner with one Mn(1)O2F4 pentagonal pyramid, edges with two equivalent Mn(4)O2F4 octahedra, edges with two equivalent Mn(6)OF5 octahedra, and  a faceface with one Mn(1)O2F4 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 42-52°. There are six inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(2), one O(4), one F(2), one F(3), one F(5), and one F(8) atom to form distorted MnO2F4 pentagonal pyramids that share  a cornercorner with one Mg(1)O2F4 octahedra, corners with two equivalent Mn(4)O2F4 octahedra, corners with two equivalent Mn(5)O2F4 octahedra, corners with four equivalent Mn(6)OF5 octahedra,  an edgeedge with one Mn(3)O2F4 octahedra, and  a faceface with one Mg(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 38-68°. In the second Mn site, Mn(2) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(3), and one F(6) atom. In the third Mn site, Mn(3) is bonded to one O(3), one O(4), one F(1), one F(3), one F(4), and one F(7) atom to form MnO2F4 octahedra that share corners with two equivalent Mg(1)O2F4 octahedra, corners with two equivalent Mn(4)O2F4 octahedra, corners with two equivalent Mn(6)OF5 octahedra, corners with four equivalent Mn(5)O2F4 octahedra, and  an edgeedge with one Mn(1)O2F4 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 37-59°. In the fourth Mn site, Mn(4) is bonded to one O(1), one O(2), one F(1), one F(4), one F(6), and one F(8) atom to form MnO2F4 octahedra that share corners with two equivalent Mn(3)O2F4 octahedra, corners with two equivalent Mn(1)O2F4 pentagonal pyramids,  an edgeedge with one Mn(5)O2F4 octahedra,  an edgeedge with one Mn(6)OF5 octahedra, and edges with two equivalent Mg(1)O2F4 octahedra. The corner-sharing octahedral tilt angles are 52°. In the fifth Mn site, Mn(5) is bonded to one O(3), one O(4), one F(1), one F(2), one F(6), and one F(7) atom to form MnO2F4 octahedra that share corners with four equivalent Mn(3)O2F4 octahedra, corners with two equivalent Mn(1)O2F4 pentagonal pyramids,  an edgeedge with one Mn(4)O2F4 octahedra, and  an edgeedge with one Mn(6)OF5 octahedra. The corner-sharing octahedral tilt angles range from 37-48°. In the sixth Mn site, Mn(6) is bonded to one O(1), one F(2), one F(3), one F(5), one F(7), and one F(8) atom to form MnOF5 octahedra that share corners with two equivalent Mn(3)O2F4 octahedra, corners with four equivalent Mn(1)O2F4 pentagonal pyramids,  an edgeedge with one Mn(4)O2F4 octahedra,  an edgeedge with one Mn(5)O2F4 octahedra, and edges with two equivalent Mg(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 46-59°. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), one Mn(2), one Mn(4), and one Mn(6) atom to form OMgMn3 trigonal pyramids that share  a cornercorner with one F(8)MgMn3 trigonal pyramid and  an edgeedge with one F(8)MgMn3 trigonal pyramid. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Mn(1), one Mn(2), and one Mn(4) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Mn(2), one Mn(3), and one Mn(5) 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(5) atom. There are eight inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Mn(3), one Mn(4), and one Mn(5) atom. In the second F site, F(2) is bonded in a trigonal planar geometry to one Mn(1), one Mn(5), and one Mn(6) atom. In the third F site, F(3) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Mn(1), one Mn(3), and one Mn(6) atom. In the fourth F site, F(4) is bonded in a distorted trigonal planar geometry to one Mg(1), one Mn(3), and one Mn(4) atom. In the fifth F site, F(5) is bonded in a 3-coordinate geometry to one Mg(1), one Mn(1), and one Mn(6) atom. In the sixth F site, F(6) is bonded in a distorted T-shaped geometry to one Mn(2), one Mn(4), and one Mn(5) atom. In the seventh F site, F(7) is bonded in a distorted T-shaped geometry to one Mn(3), one Mn(5), and one Mn(6) atom. In the eighth F site, F(8) is bonded to one Mg(1), one Mn(1), one Mn(4), and one Mn(6) atom to form distorted FMgMn3 trigonal pyramids that share  a cornercorner with one O(1)MgMn3 trigonal pyramid and  an edgeedge with one O(1)MgMn3 trigonal pyramid.
MgMn6(OF2)4 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(2), one F(3), one F(4), one F(5), and one F(8) atom to form MgO2F4 octahedra that share corners with two equivalent Mn(3)O2F4 octahedra,  a cornercorner with one Mn(1)O2F4 pentagonal pyramid, edges with two equivalent Mn(4)O2F4 octahedra, edges with two equivalent Mn(6)OF5 octahedra, and  a faceface with one Mn(1)O2F4 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 42-52°. The Mg(1)-O(1) bond length is 1.97 Å. The Mg(1)-O(2) bond length is 2.03 Å. The Mg(1)-F(3) bond length is 2.17 Å. The Mg(1)-F(4) bond length is 2.04 Å. The Mg(1)-F(5) bond length is 2.03 Å. The Mg(1)-F(8) bond length is 1.94 Å. There are six inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(2), one O(4), one F(2), one F(3), one F(5), and one F(8) atom to form distorted MnO2F4 pentagonal pyramids that share  a cornercorner with one Mg(1)O2F4 octahedra, corners with two equivalent Mn(4)O2F4 octahedra, corners with two equivalent Mn(5)O2F4 octahedra, corners with four equivalent Mn(6)OF5 octahedra,  an edgeedge with one Mn(3)O2F4 octahedra, and  a faceface with one Mg(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 38-68°. The Mn(1)-O(2) bond length is 2.33 Å. The Mn(1)-O(4) bond length is 2.04 Å. The Mn(1)-F(2) bond length is 2.12 Å. The Mn(1)-F(3) bond length is 2.26 Å. The Mn(1)-F(5) bond length is 2.14 Å. The Mn(1)-F(8) bond length is 2.42 Å. In the second Mn site, Mn(2) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(3), and one F(6) atom. The Mn(2)-O(1) bond length is 2.08 Å. The Mn(2)-O(2) bond length is 2.02 Å. The Mn(2)-O(3) bond length is 1.97 Å. The Mn(2)-F(6) bond length is 2.34 Å. In the third Mn site, Mn(3) is bonded to one O(3), one O(4), one F(1), one F(3), one F(4), and one F(7) atom to form MnO2F4 octahedra that share corners with two equivalent Mg(1)O2F4 octahedra, corners with two equivalent Mn(4)O2F4 octahedra, corners with two equivalent Mn(6)OF5 octahedra, corners with four equivalent Mn(5)O2F4 octahedra, and  an edgeedge with one Mn(1)O2F4 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 37-59°. The Mn(3)-O(3) bond length is 1.94 Å. The Mn(3)-O(4) bond length is 1.94 Å. The Mn(3)-F(1) bond length is 2.07 Å. The Mn(3)-F(3) bond length is 2.26 Å. The Mn(3)-F(4) bond length is 2.38 Å. The Mn(3)-F(7) bond length is 2.10 Å. In the fourth Mn site, Mn(4) is bonded to one O(1), one O(2), one F(1), one F(4), one F(6), and one F(8) atom to form MnO2F4 octahedra that share corners with two equivalent Mn(3)O2F4 octahedra, corners with two equivalent Mn(1)O2F4 pentagonal pyramids,  an edgeedge with one Mn(5)O2F4 octahedra,  an edgeedge with one Mn(6)OF5 octahedra, and edges with two equivalent Mg(1)O2F4 octahedra. The corner-sharing octahedral tilt angles are 52°. The Mn(4)-O(1) bond length is 1.92 Å. The Mn(4)-O(2) bond length is 1.96 Å. The Mn(4)-F(1) bond length is 2.19 Å. The Mn(4)-F(4) bond length is 2.07 Å. The Mn(4)-F(6) bond length is 1.99 Å. The Mn(4)-F(8) bond length is 2.28 Å. In the fifth Mn site, Mn(5) is bonded to one O(3), one O(4), one F(1), one F(2), one F(6), and one F(7) atom to form MnO2F4 octahedra that share corners with four equivalent Mn(3)O2F4 octahedra, corners with two equivalent Mn(1)O2F4 pentagonal pyramids,  an edgeedge with one Mn(4)O2F4 octahedra, and  an edgeedge with one Mn(6)OF5 octahedra. The corner-sharing octahedral tilt angles range from 37-48°. The Mn(5)-O(3) bond length is 2.19 Å. The Mn(5)-O(4) bond length is 2.07 Å. The Mn(5)-F(1) bond length is 2.29 Å. The Mn(5)-F(2) bond length is 2.15 Å. The Mn(5)-F(6) bond length is 2.15 Å. The Mn(5)-F(7) bond length is 2.24 Å. In the sixth Mn site, Mn(6) is bonded to one O(1), one F(2), one F(3), one F(5), one F(7), and one F(8) atom to form MnOF5 octahedra that share corners with two equivalent Mn(3)O2F4 octahedra, corners with four equivalent Mn(1)O2F4 pentagonal pyramids,  an edgeedge with one Mn(4)O2F4 octahedra,  an edgeedge with one Mn(5)O2F4 octahedra, and edges with two equivalent Mg(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 46-59°. The Mn(6)-O(1) bond length is 2.15 Å. The Mn(6)-F(2) bond length is 2.10 Å. The Mn(6)-F(3) bond length is 2.14 Å. The Mn(6)-F(5) bond length is 2.19 Å. The Mn(6)-F(7) bond length is 2.15 Å. The Mn(6)-F(8) bond length is 2.20 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), one Mn(2), one Mn(4), and one Mn(6) atom to form OMgMn3 trigonal pyramids that share  a cornercorner with one F(8)MgMn3 trigonal pyramid and  an edgeedge with one F(8)MgMn3 trigonal pyramid. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Mn(1), one Mn(2), and one Mn(4) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Mn(2), one Mn(3), and one Mn(5) 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(5) atom. There are eight inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Mn(3), one Mn(4), and one Mn(5) atom. In the second F site, F(2) is bonded in a trigonal planar geometry to one Mn(1), one Mn(5), and one Mn(6) atom. In the third F site, F(3) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Mn(1), one Mn(3), and one Mn(6) atom. In the fourth F site, F(4) is bonded in a distorted trigonal planar geometry to one Mg(1), one Mn(3), and one Mn(4) atom. In the fifth F site, F(5) is bonded in a 3-coordinate geometry to one Mg(1), one Mn(1), and one Mn(6) atom. In the sixth F site, F(6) is bonded in a distorted T-shaped geometry to one Mn(2), one Mn(4), and one Mn(5) atom. In the seventh F site, F(7) is bonded in a distorted T-shaped geometry to one Mn(3), one Mn(5), and one Mn(6) atom. In the eighth F site, F(8) is bonded to one Mg(1), one Mn(1), one Mn(4), and one Mn(6) atom to form distorted FMgMn3 trigonal pyramids that share  a cornercorner with one O(1)MgMn3 trigonal pyramid and  an edgeedge with one O(1)MgMn3 trigonal pyramid.