MgFeF5 crystallizes in the monoclinic C2/c space group. Mg(1) is bonded in a 7-coordinate geometry to one F(1), two equivalent F(2), and four equivalent F(3) atoms. Fe(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form corner-sharing FeF6 octahedra. The corner-sharing octahedral tilt angles are 44°. There are three inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to one Mg(1) and two equivalent Fe(1) atoms. In the second F site, F(2) is bonded in a linear geometry to one Mg(1) and one Fe(1) atom. In the third F site, F(3) is bonded in a distorted bent 150 degrees geometry to two equivalent Mg(1) and one Fe(1) atom.
MgFeF5 crystallizes in the monoclinic C2/c space group. Mg(1) is bonded in a 7-coordinate geometry to one F(1), two equivalent F(2), and four equivalent F(3) atoms. The Mg(1)-F(1) bond length is 2.18 Å. Both Mg(1)-F(2) bond lengths are 1.95 Å. There are two shorter (2.01 Å) and two longer (2.57 Å) Mg(1)-F(3) bond lengths. Fe(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form corner-sharing FeF6 octahedra. The corner-sharing octahedral tilt angles are 44°. Both Fe(1)-F(1) bond lengths are 2.04 Å. Both Fe(1)-F(2) bond lengths are 1.91 Å. Both Fe(1)-F(3) bond lengths are 1.93 Å. There are three inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to one Mg(1) and two equivalent Fe(1) atoms. In the second F site, F(2) is bonded in a linear geometry to one Mg(1) and one Fe(1) atom. In the third F site, F(3) is bonded in a distorted bent 150 degrees geometry to two equivalent Mg(1) and one Fe(1) atom.