LiMn2F7 crystallizes in the monoclinic C2/c space group. Li(1) is bonded to two equivalent F(2) and four equivalent F(3) atoms to form LiF6 octahedra that share corners with four equivalent Li(1)F6 octahedra, corners with four equivalent Mn(1)F6 octahedra, and edges with two equivalent Mn(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 49-55°. Mn(1) is bonded to one F(3), one F(4), two equivalent F(1), and two equivalent F(2) atoms to form MnF6 octahedra that share corners with two equivalent Li(1)F6 octahedra, corners with five equivalent Mn(1)F6 octahedra, and  an edgeedge with one Li(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 42-55°. There are four inequivalent F sites. In the first F site, F(1) is bonded in a bent 150 degrees geometry to two equivalent Mn(1) atoms. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Li(1) and two equivalent Mn(1) atoms. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to two equivalent Li(1) and one Mn(1) atom. In the fourth F site, F(4) is bonded in a bent 150 degrees geometry to two equivalent Mn(1) atoms.
LiMn2F7 crystallizes in the monoclinic C2/c space group. Li(1) is bonded to two equivalent F(2) and four equivalent F(3) atoms to form LiF6 octahedra that share corners with four equivalent Li(1)F6 octahedra, corners with four equivalent Mn(1)F6 octahedra, and edges with two equivalent Mn(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 49-55°. Both Li(1)-F(2) bond lengths are 2.00 Å. There are two shorter (2.00 Å) and two longer (2.12 Å) Li(1)-F(3) bond lengths. Mn(1) is bonded to one F(3), one F(4), two equivalent F(1), and two equivalent F(2) atoms to form MnF6 octahedra that share corners with two equivalent Li(1)F6 octahedra, corners with five equivalent Mn(1)F6 octahedra, and  an edgeedge with one Li(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 42-55°. The Mn(1)-F(3) bond length is 1.84 Å. The Mn(1)-F(4) bond length is 1.91 Å. There is one shorter (1.83 Å) and one longer (2.07 Å) Mn(1)-F(1) bond length. There is one shorter (1.88 Å) and one longer (2.12 Å) Mn(1)-F(2) bond length. There are four inequivalent F sites. In the first F site, F(1) is bonded in a bent 150 degrees geometry to two equivalent Mn(1) atoms. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Li(1) and two equivalent Mn(1) atoms. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to two equivalent Li(1) and one Mn(1) atom. In the fourth F site, F(4) is bonded in a bent 150 degrees geometry to two equivalent Mn(1) atoms.