LiMn3F10 crystallizes in the triclinic P-1 space group. Li(1) is bonded in a trigonal non-coplanar geometry to one F(2), one F(6), and one F(7) atom. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one F(2), one F(3), one F(4), one F(7), and two equivalent F(9) atoms to form a mixture of edge and corner-sharing MnF6 octahedra. The corner-sharing octahedral tilt angles range from 2-53°. In the second Mn site, Mn(2) is bonded to one F(1), one F(10), one F(11), one F(4), one F(6), and one F(8) atom to form corner-sharing MnF6 octahedra. The corner-sharing octahedral tilt angles range from 0-43°. In the third Mn site, Mn(3) is bonded to one F(1), one F(8), two equivalent F(3), and two equivalent F(5) atoms to form a mixture of edge and corner-sharing MnF6 octahedra. The corner-sharing octahedral tilt angles range from 42-53°. There are eleven inequivalent F sites. In the first F site, F(1) is bonded in a bent 150 degrees geometry to one Mn(2) and one Mn(3) 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 distorted trigonal planar geometry to one Mn(1) and two equivalent Mn(3) atoms. In the fourth F site, F(4) is bonded in a linear geometry to one Mn(1) and one Mn(2) atom. In the fifth F site, F(5) is bonded in a water-like geometry to two equivalent Mn(3) atoms. In the sixth F site, F(6) is bonded in a bent 150 degrees geometry to one Li(1) and one Mn(2) atom. In the seventh F site, F(7) is bonded in a bent 150 degrees geometry to one Li(1) and one Mn(1) atom. In the eighth F site, F(8) is bonded in a bent 150 degrees geometry to one Mn(2) and one Mn(3) atom. In the ninth F site, F(9) is bonded in a water-like geometry to two equivalent Mn(1) atoms. In the tenth F site, F(10) is bonded in a linear geometry to two equivalent Mn(2) atoms. In the eleventh F site, F(11) is bonded in a linear geometry to two equivalent Mn(2) atoms.
LiMn3F10 crystallizes in the triclinic P-1 space group. Li(1) is bonded in a trigonal non-coplanar geometry to one F(2), one F(6), and one F(7) atom. The Li(1)-F(2) bond length is 1.88 Å. The Li(1)-F(6) bond length is 1.84 Å. The Li(1)-F(7) bond length is 1.88 Å. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one F(2), one F(3), one F(4), one F(7), and two equivalent F(9) atoms to form a mixture of edge and corner-sharing MnF6 octahedra. The corner-sharing octahedral tilt angles range from 2-53°. The Mn(1)-F(2) bond length is 1.84 Å. The Mn(1)-F(3) bond length is 2.30 Å. The Mn(1)-F(4) bond length is 2.07 Å. The Mn(1)-F(7) bond length is 1.85 Å. Both Mn(1)-F(9) bond lengths are 1.96 Å. In the second Mn site, Mn(2) is bonded to one F(1), one F(10), one F(11), one F(4), one F(6), and one F(8) atom to form corner-sharing MnF6 octahedra. The corner-sharing octahedral tilt angles range from 0-43°. The Mn(2)-F(1) bond length is 2.08 Å. The Mn(2)-F(10) bond length is 1.97 Å. The Mn(2)-F(11) bond length is 1.97 Å. The Mn(2)-F(4) bond length is 1.86 Å. The Mn(2)-F(6) bond length is 1.83 Å. The Mn(2)-F(8) bond length is 2.08 Å. In the third Mn site, Mn(3) is bonded to one F(1), one F(8), two equivalent F(3), and two equivalent F(5) atoms to form a mixture of edge and corner-sharing MnF6 octahedra. The corner-sharing octahedral tilt angles range from 42-53°. The Mn(3)-F(1) bond length is 1.87 Å. The Mn(3)-F(8) bond length is 1.87 Å. There is one shorter (1.95 Å) and one longer (2.22 Å) Mn(3)-F(3) bond length. There is one shorter (1.89 Å) and one longer (2.12 Å) Mn(3)-F(5) bond length. There are eleven inequivalent F sites. In the first F site, F(1) is bonded in a bent 150 degrees geometry to one Mn(2) and one Mn(3) 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 distorted trigonal planar geometry to one Mn(1) and two equivalent Mn(3) atoms. In the fourth F site, F(4) is bonded in a linear geometry to one Mn(1) and one Mn(2) atom. In the fifth F site, F(5) is bonded in a water-like geometry to two equivalent Mn(3) atoms. In the sixth F site, F(6) is bonded in a bent 150 degrees geometry to one Li(1) and one Mn(2) atom. In the seventh F site, F(7) is bonded in a bent 150 degrees geometry to one Li(1) and one Mn(1) atom. In the eighth F site, F(8) is bonded in a bent 150 degrees geometry to one Mn(2) and one Mn(3) atom. In the ninth F site, F(9) is bonded in a water-like geometry to two equivalent Mn(1) atoms. In the tenth F site, F(10) is bonded in a linear geometry to two equivalent Mn(2) atoms. In the eleventh F site, F(11) is bonded in a linear geometry to two equivalent Mn(2) atoms.