LiMn2F5 crystallizes in the orthorhombic Pnma space group. Li(1) is bonded to one F(1), one F(3), and two equivalent F(2) atoms to form LiF4 tetrahedra that share corners with four equivalent Mn(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 58-59°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent F(2), two equivalent F(3), and two equivalent F(4) atoms to form MnF6 octahedra that share corners with four equivalent Li(1)F4 tetrahedra and edges with two equivalent Mn(1)F6 octahedra. In the second Mn site, Mn(2) is bonded in a 5-coordinate geometry to one F(1), one F(3), one F(4), and two equivalent F(2) atoms. There are four inequivalent F sites. In the first F site, F(1) is bonded in a linear geometry to one Li(1) and one Mn(2) atom. In the second F site, F(2) is bonded in a trigonal planar geometry to one Li(1), one Mn(1), and one Mn(2) atom. In the third F site, F(3) is bonded in a 4-coordinate geometry to one Li(1), one Mn(2), and two equivalent Mn(1) atoms. In the fourth F site, F(4) is bonded in a trigonal planar geometry to one Mn(2) and two equivalent Mn(1) atoms.
LiMn2F5 crystallizes in the orthorhombic Pnma space group. Li(1) is bonded to one F(1), one F(3), and two equivalent F(2) atoms to form LiF4 tetrahedra that share corners with four equivalent Mn(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 58-59°. The Li(1)-F(1) bond length is 1.81 Å. The Li(1)-F(3) bond length is 1.92 Å. Both Li(1)-F(2) bond lengths are 1.89 Å. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent F(2), two equivalent F(3), and two equivalent F(4) atoms to form MnF6 octahedra that share corners with four equivalent Li(1)F4 tetrahedra and edges with two equivalent Mn(1)F6 octahedra. Both Mn(1)-F(2) bond lengths are 2.11 Å. Both Mn(1)-F(3) bond lengths are 2.17 Å. Both Mn(1)-F(4) bond lengths are 2.20 Å. In the second Mn site, Mn(2) is bonded in a 5-coordinate geometry to one F(1), one F(3), one F(4), and two equivalent F(2) atoms. The Mn(2)-F(1) bond length is 1.96 Å. The Mn(2)-F(3) bond length is 2.48 Å. The Mn(2)-F(4) bond length is 2.14 Å. Both Mn(2)-F(2) bond lengths are 2.08 Å. There are four inequivalent F sites. In the first F site, F(1) is bonded in a linear geometry to one Li(1) and one Mn(2) atom. In the second F site, F(2) is bonded in a trigonal planar geometry to one Li(1), one Mn(1), and one Mn(2) atom. In the third F site, F(3) is bonded in a 4-coordinate geometry to one Li(1), one Mn(2), and two equivalent Mn(1) atoms. In the fourth F site, F(4) is bonded in a trigonal planar geometry to one Mn(2) and two equivalent Mn(1) atoms.