LiMn2F7 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded in a 5-coordinate geometry to one F(1), one F(3), one F(4), one F(5), and one F(6) atom. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one F(1), one F(2), one F(4), one F(5), one F(6), and one F(7) atom to form a mixture of distorted corner and edge-sharing MnF6 octahedra. The corner-sharing octahedral tilt angles range from 16-51°. In the second Mn site, Mn(2) is bonded to one F(1), one F(2), one F(3), one F(4), one F(5), and one F(7) atom to form a mixture of distorted corner and edge-sharing MnF6 octahedra. The corner-sharing octahedral tilt angles range from 16-51°. There are seven inequivalent F sites. In the first F site, F(1) is bonded in a distorted T-shaped geometry to one Li(1), one Mn(1), and one Mn(2) atom. In the second F site, F(2) is bonded in a water-like geometry to one Mn(1) and one Mn(2) atom. In the third F site, F(3) is bonded in a water-like geometry to one Li(1) and one Mn(2) atom. In the fourth F site, F(4) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Mn(1), and one Mn(2) atom. In the fifth F site, F(5) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(1), and one Mn(2) atom. In the sixth F site, F(6) is bonded in a bent 120 degrees geometry to one Li(1) and one Mn(1) atom. In the seventh F site, F(7) is bonded in a linear geometry to one Mn(1) and one Mn(2) atom.
LiMn2F7 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded in a 5-coordinate geometry to one F(1), one F(3), one F(4), one F(5), and one F(6) atom. The Li(1)-F(1) bond length is 2.39 Å. The Li(1)-F(3) bond length is 1.98 Å. The Li(1)-F(4) bond length is 2.00 Å. The Li(1)-F(5) bond length is 1.94 Å. The Li(1)-F(6) bond length is 1.92 Å. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one F(1), one F(2), one F(4), one F(5), one F(6), and one F(7) atom to form a mixture of distorted corner and edge-sharing MnF6 octahedra. The corner-sharing octahedral tilt angles range from 16-51°. The Mn(1)-F(1) bond length is 2.21 Å. The Mn(1)-F(2) bond length is 1.86 Å. The Mn(1)-F(4) bond length is 1.96 Å. The Mn(1)-F(5) bond length is 1.91 Å. The Mn(1)-F(6) bond length is 1.83 Å. The Mn(1)-F(7) bond length is 2.17 Å. In the second Mn site, Mn(2) is bonded to one F(1), one F(2), one F(3), one F(4), one F(5), and one F(7) atom to form a mixture of distorted corner and edge-sharing MnF6 octahedra. The corner-sharing octahedral tilt angles range from 16-51°. The Mn(2)-F(1) bond length is 1.90 Å. The Mn(2)-F(2) bond length is 2.21 Å. The Mn(2)-F(3) bond length is 1.83 Å. The Mn(2)-F(4) bond length is 2.04 Å. The Mn(2)-F(5) bond length is 2.30 Å. The Mn(2)-F(7) bond length is 1.88 Å. There are seven inequivalent F sites. In the first F site, F(1) is bonded in a distorted T-shaped geometry to one Li(1), one Mn(1), and one Mn(2) atom. In the second F site, F(2) is bonded in a water-like geometry to one Mn(1) and one Mn(2) atom. In the third F site, F(3) is bonded in a water-like geometry to one Li(1) and one Mn(2) atom. In the fourth F site, F(4) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Mn(1), and one Mn(2) atom. In the fifth F site, F(5) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(1), and one Mn(2) atom. In the sixth F site, F(6) is bonded in a bent 120 degrees geometry to one Li(1) and one Mn(1) atom. In the seventh F site, F(7) is bonded in a linear geometry to one Mn(1) and one Mn(2) atom.