MgMoF5 crystallizes in the monoclinic P2_1/c space group. Mg(1) is bonded in a 6-coordinate geometry to one F(1), one F(3), one F(4), one F(5), and two equivalent F(2) atoms. Mo(1) is bonded to one F(1), one F(2), one F(3), one F(4), and two equivalent F(5) atoms to form corner-sharing MoF6 octahedra. The corner-sharing octahedral tilt angles are 45°. There are five inequivalent F sites. In the first F site, F(1) is bonded in a bent 150 degrees geometry to one Mg(1) and one Mo(1) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to two equivalent Mg(1) and one Mo(1) atom. In the third F site, F(3) is bonded in a bent 150 degrees geometry to one Mg(1) and one Mo(1) atom. In the fourth F site, F(4) is bonded in a linear geometry to one Mg(1) and one Mo(1) atom. In the fifth F site, F(5) is bonded in a distorted trigonal planar geometry to one Mg(1) and two equivalent Mo(1) atoms.
MgMoF5 crystallizes in the monoclinic P2_1/c space group. Mg(1) is bonded in a 6-coordinate geometry to one F(1), one F(3), one F(4), one F(5), and two equivalent F(2) atoms. The Mg(1)-F(1) bond length is 1.98 Å. The Mg(1)-F(3) bond length is 1.92 Å. The Mg(1)-F(4) bond length is 1.93 Å. The Mg(1)-F(5) bond length is 2.55 Å. There is one shorter (2.01 Å) and one longer (2.20 Å) Mg(1)-F(2) bond length. Mo(1) is bonded to one F(1), one F(2), one F(3), one F(4), and two equivalent F(5) atoms to form corner-sharing MoF6 octahedra. The corner-sharing octahedral tilt angles are 45°. The Mo(1)-F(1) bond length is 2.10 Å. The Mo(1)-F(2) bond length is 2.12 Å. The Mo(1)-F(3) bond length is 2.06 Å. The Mo(1)-F(4) bond length is 2.10 Å. Both Mo(1)-F(5) bond lengths are 2.13 Å. There are five inequivalent F sites. In the first F site, F(1) is bonded in a bent 150 degrees geometry to one Mg(1) and one Mo(1) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to two equivalent Mg(1) and one Mo(1) atom. In the third F site, F(3) is bonded in a bent 150 degrees geometry to one Mg(1) and one Mo(1) atom. In the fourth F site, F(4) is bonded in a linear geometry to one Mg(1) and one Mo(1) atom. In the fifth F site, F(5) is bonded in a distorted trigonal planar geometry to one Mg(1) and two equivalent Mo(1) atoms.