MnF3 crystallizes in the tetragonal P4/mbm space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent F(1) and four equivalent F(2) atoms to form corner-sharing MnF6 octahedra. The corner-sharing octahedral tilt angles range from 0-28°. In the second Mn site, Mn(2) is bonded to one F(2), one F(5), two equivalent F(3), and two equivalent F(4) atoms to form corner-sharing MnF6 octahedra. The corner-sharing octahedral tilt angles range from 0-32°. There are five inequivalent F sites. In the first F site, F(1) is bonded in a linear geometry to two equivalent Mn(1) atoms. In the second F site, F(2) is bonded in a bent 150 degrees geometry to one Mn(1) and one Mn(2) atom. In the third F site, F(3) is bonded in a linear geometry to two equivalent Mn(2) atoms. In the fourth F site, F(4) is bonded in a linear geometry to two equivalent Mn(2) atoms. In the fifth F site, F(5) is bonded in a bent 150 degrees geometry to two equivalent Mn(2) atoms.
MnF3 crystallizes in the tetragonal P4/mbm space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent F(1) and four equivalent F(2) atoms to form corner-sharing MnF6 octahedra. The corner-sharing octahedral tilt angles range from 0-28°. Both Mn(1)-F(1) bond lengths are 1.95 Å. All Mn(1)-F(2) bond lengths are 1.92 Å. In the second Mn site, Mn(2) is bonded to one F(2), one F(5), two equivalent F(3), and two equivalent F(4) atoms to form corner-sharing MnF6 octahedra. The corner-sharing octahedral tilt angles range from 0-32°. The Mn(2)-F(2) bond length is 1.98 Å. The Mn(2)-F(5) bond length is 1.97 Å. There is one shorter (1.91 Å) and one longer (2.01 Å) Mn(2)-F(3) bond length. Both Mn(2)-F(4) bond lengths are 1.95 Å. There are five inequivalent F sites. In the first F site, F(1) is bonded in a linear geometry to two equivalent Mn(1) atoms. In the second F site, F(2) is bonded in a bent 150 degrees geometry to one Mn(1) and one Mn(2) atom. In the third F site, F(3) is bonded in a linear geometry to two equivalent Mn(2) atoms. In the fourth F site, F(4) is bonded in a linear geometry to two equivalent Mn(2) atoms. In the fifth F site, F(5) is bonded in a bent 150 degrees geometry to two equivalent Mn(2) atoms.