MgMnF4 crystallizes in the monoclinic Cm space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 6-coordinate geometry to one F(2), one F(3), two equivalent F(4), and two equivalent F(6) atoms. In the second Mg site, Mg(2) is bonded in a 8-coordinate geometry to one F(1), one F(2), one F(3), one F(5), two equivalent F(4), and two equivalent F(6) atoms. Mn(1) is bonded in a body-centered cubic geometry to one F(1), one F(2), one F(3), one F(5), two equivalent F(4), and two equivalent F(6) atoms. There are six inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to one Mg(2) and two equivalent Mn(1) atoms. In the second F site, F(2) is bonded to one Mg(1), one Mg(2), and two equivalent Mn(1) atoms to form a mixture of distorted corner and edge-sharing FMg2Mn2 tetrahedra. In the third F site, F(3) is bonded to one Mg(1), one Mg(2), and two equivalent Mn(1) atoms to form a mixture of distorted corner and edge-sharing FMg2Mn2 tetrahedra. In the fourth F site, F(4) is bonded to one Mg(1), one Mg(2), and two equivalent Mn(1) atoms to form a mixture of corner and edge-sharing FMg2Mn2 tetrahedra. In the fifth F site, F(5) is bonded in a trigonal planar geometry to one Mg(2) and two equivalent Mn(1) atoms. In the sixth F site, F(6) is bonded in a 4-coordinate geometry to one Mg(1), one Mg(2), and two equivalent Mn(1) atoms.
MgMnF4 crystallizes in the monoclinic Cm space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 6-coordinate geometry to one F(2), one F(3), two equivalent F(4), and two equivalent F(6) atoms. The Mg(1)-F(2) bond length is 2.02 Å. The Mg(1)-F(3) bond length is 2.01 Å. Both Mg(1)-F(4) bond lengths are 2.20 Å. Both Mg(1)-F(6) bond lengths are 1.98 Å. In the second Mg site, Mg(2) is bonded in a 8-coordinate geometry to one F(1), one F(2), one F(3), one F(5), two equivalent F(4), and two equivalent F(6) atoms. The Mg(2)-F(1) bond length is 2.02 Å. The Mg(2)-F(2) bond length is 2.13 Å. The Mg(2)-F(3) bond length is 2.19 Å. The Mg(2)-F(5) bond length is 2.06 Å. Both Mg(2)-F(4) bond lengths are 2.19 Å. Both Mg(2)-F(6) bond lengths are 2.54 Å. Mn(1) is bonded in a body-centered cubic geometry to one F(1), one F(2), one F(3), one F(5), two equivalent F(4), and two equivalent F(6) atoms. The Mn(1)-F(1) bond length is 2.19 Å. The Mn(1)-F(2) bond length is 2.38 Å. The Mn(1)-F(3) bond length is 2.36 Å. The Mn(1)-F(5) bond length is 2.16 Å. There is one shorter (2.24 Å) and one longer (2.25 Å) Mn(1)-F(4) bond length. There is one shorter (2.28 Å) and one longer (2.31 Å) Mn(1)-F(6) bond length. There are six inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to one Mg(2) and two equivalent Mn(1) atoms. In the second F site, F(2) is bonded to one Mg(1), one Mg(2), and two equivalent Mn(1) atoms to form a mixture of distorted corner and edge-sharing FMg2Mn2 tetrahedra. In the third F site, F(3) is bonded to one Mg(1), one Mg(2), and two equivalent Mn(1) atoms to form a mixture of distorted corner and edge-sharing FMg2Mn2 tetrahedra. In the fourth F site, F(4) is bonded to one Mg(1), one Mg(2), and two equivalent Mn(1) atoms to form a mixture of corner and edge-sharing FMg2Mn2 tetrahedra. In the fifth F site, F(5) is bonded in a trigonal planar geometry to one Mg(2) and two equivalent Mn(1) atoms. In the sixth F site, F(6) is bonded in a 4-coordinate geometry to one Mg(1), one Mg(2), and two equivalent Mn(1) atoms.