MgMnF5 crystallizes in the triclinic P1 space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to one F(10), one F(2), one F(7), one F(8), and one F(9) atom to form MgF5 trigonal bipyramids that share corners with three equivalent Mn(1)F6 octahedra and corners with three equivalent Mn(2)F6 octahedra. The corner-sharing octahedral tilt angles range from 5-67°. In the second Mg site, Mg(2) is bonded to one F(1), one F(3), one F(4), one F(5), and one F(6) atom to form MgF5 trigonal bipyramids that share corners with three equivalent Mn(1)F6 octahedra and corners with three equivalent Mn(2)F6 octahedra. The corner-sharing octahedral tilt angles range from 4-67°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one F(1), one F(2), one F(4), one F(5), one F(7), and one F(9) atom to form MnF6 octahedra that share corners with two equivalent Mn(2)F6 octahedra, corners with three equivalent Mg(1)F5 trigonal bipyramids, and corners with three equivalent Mg(2)F5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 49°. In the second Mn site, Mn(2) is bonded to one F(1), one F(10), one F(2), one F(3), one F(6), and one F(8) atom to form MnF6 octahedra that share corners with two equivalent Mn(1)F6 octahedra, corners with three equivalent Mg(1)F5 trigonal bipyramids, and corners with three equivalent Mg(2)F5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 49°. There are ten inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to one Mg(2), one Mn(1), and one Mn(2) atom. In the second F site, F(2) is bonded in a trigonal planar geometry to one Mg(1), one Mn(1), and one Mn(2) atom. In the third F site, F(3) is bonded in a linear geometry to one Mg(2) and one Mn(2) atom. In the fourth F site, F(4) is bonded in a linear geometry to one Mg(2) and one Mn(1) atom. In the fifth F site, F(5) is bonded in a bent 150 degrees geometry to one Mg(2) and one Mn(1) atom. In the sixth F site, F(6) is bonded in a bent 150 degrees geometry to one Mg(2) and one Mn(2) atom. In the seventh F site, F(7) is bonded in a bent 150 degrees geometry to one Mg(1) and one Mn(1) atom. In the eighth F site, F(8) is bonded in a bent 150 degrees geometry to one Mg(1) and one Mn(2) atom. In the ninth F site, F(9) is bonded in a linear geometry to one Mg(1) and one Mn(1) atom. In the tenth F site, F(10) is bonded in a linear geometry to one Mg(1) and one Mn(2) atom.
MgMnF5 crystallizes in the triclinic P1 space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to one F(10), one F(2), one F(7), one F(8), and one F(9) atom to form MgF5 trigonal bipyramids that share corners with three equivalent Mn(1)F6 octahedra and corners with three equivalent Mn(2)F6 octahedra. The corner-sharing octahedral tilt angles range from 5-67°. The Mg(1)-F(10) bond length is 1.97 Å. The Mg(1)-F(2) bond length is 1.99 Å. The Mg(1)-F(7) bond length is 1.99 Å. The Mg(1)-F(8) bond length is 1.98 Å. The Mg(1)-F(9) bond length is 1.97 Å. In the second Mg site, Mg(2) is bonded to one F(1), one F(3), one F(4), one F(5), and one F(6) atom to form MgF5 trigonal bipyramids that share corners with three equivalent Mn(1)F6 octahedra and corners with three equivalent Mn(2)F6 octahedra. The corner-sharing octahedral tilt angles range from 4-67°. The Mg(2)-F(1) bond length is 2.00 Å. The Mg(2)-F(3) bond length is 1.97 Å. The Mg(2)-F(4) bond length is 1.97 Å. The Mg(2)-F(5) bond length is 1.98 Å. The Mg(2)-F(6) bond length is 1.98 Å. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one F(1), one F(2), one F(4), one F(5), one F(7), and one F(9) atom to form MnF6 octahedra that share corners with two equivalent Mn(2)F6 octahedra, corners with three equivalent Mg(1)F5 trigonal bipyramids, and corners with three equivalent Mg(2)F5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 49°. The Mn(1)-F(1) bond length is 2.18 Å. The Mn(1)-F(2) bond length is 2.18 Å. The Mn(1)-F(4) bond length is 1.87 Å. The Mn(1)-F(5) bond length is 1.90 Å. The Mn(1)-F(7) bond length is 1.90 Å. The Mn(1)-F(9) bond length is 1.87 Å. In the second Mn site, Mn(2) is bonded to one F(1), one F(10), one F(2), one F(3), one F(6), and one F(8) atom to form MnF6 octahedra that share corners with two equivalent Mn(1)F6 octahedra, corners with three equivalent Mg(1)F5 trigonal bipyramids, and corners with three equivalent Mg(2)F5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 49°. The Mn(2)-F(1) bond length is 2.18 Å. The Mn(2)-F(10) bond length is 1.87 Å. The Mn(2)-F(2) bond length is 2.18 Å. The Mn(2)-F(3) bond length is 1.87 Å. The Mn(2)-F(6) bond length is 1.90 Å. The Mn(2)-F(8) bond length is 1.89 Å. There are ten inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to one Mg(2), one Mn(1), and one Mn(2) atom. In the second F site, F(2) is bonded in a trigonal planar geometry to one Mg(1), one Mn(1), and one Mn(2) atom. In the third F site, F(3) is bonded in a linear geometry to one Mg(2) and one Mn(2) atom. In the fourth F site, F(4) is bonded in a linear geometry to one Mg(2) and one Mn(1) atom. In the fifth F site, F(5) is bonded in a bent 150 degrees geometry to one Mg(2) and one Mn(1) atom. In the sixth F site, F(6) is bonded in a bent 150 degrees geometry to one Mg(2) and one Mn(2) atom. In the seventh F site, F(7) is bonded in a bent 150 degrees geometry to one Mg(1) and one Mn(1) atom. In the eighth F site, F(8) is bonded in a bent 150 degrees geometry to one Mg(1) and one Mn(2) atom. In the ninth F site, F(9) is bonded in a linear geometry to one Mg(1) and one Mn(1) atom. In the tenth F site, F(10) is bonded in a linear geometry to one Mg(1) and one Mn(2) atom.