LiMnF6 crystallizes in the triclinic P-1 space group. Li(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form LiF6 octahedra that share corners with six equivalent Mn(1)F6 octahedra. The corner-sharing octahedral tilt angles are 40°. Mn(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form MnF6 octahedra that share corners with six equivalent Li(1)F6 octahedra. The corner-sharing octahedral tilt angles are 40°. There are three inequivalent F sites. In the first F site, F(1) is bonded in a bent 150 degrees geometry to one Li(1) and one Mn(1) atom. In the second F site, F(2) is bonded in a bent 150 degrees geometry to one Li(1) and one Mn(1) atom. In the third F site, F(3) is bonded in a bent 150 degrees geometry to one Li(1) and one Mn(1) atom.
LiMnF6 crystallizes in the triclinic P-1 space group. Li(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form LiF6 octahedra that share corners with six equivalent Mn(1)F6 octahedra. The corner-sharing octahedral tilt angles are 40°. Both Li(1)-F(1) bond lengths are 1.98 Å. Both Li(1)-F(2) bond lengths are 1.98 Å. Both Li(1)-F(3) bond lengths are 1.98 Å. Mn(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form MnF6 octahedra that share corners with six equivalent Li(1)F6 octahedra. The corner-sharing octahedral tilt angles are 40°. Both Mn(1)-F(1) bond lengths are 1.77 Å. Both Mn(1)-F(2) bond lengths are 1.77 Å. Both Mn(1)-F(3) bond lengths are 1.77 Å. There are three inequivalent F sites. In the first F site, F(1) is bonded in a bent 150 degrees geometry to one Li(1) and one Mn(1) atom. In the second F site, F(2) is bonded in a bent 150 degrees geometry to one Li(1) and one Mn(1) atom. In the third F site, F(3) is bonded in a bent 150 degrees geometry to one Li(1) and one Mn(1) atom.