LiMn2F9 crystallizes in the triclinic P-1 space group. Li(1) is bonded in a rectangular see-saw-like geometry to one F(2), one F(3), one F(5), and one F(9) atom. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one F(2), one F(3), one F(4), one F(5), one F(6), and one F(8) atom to form corner-sharing MnF6 octahedra. In the second Mn site, Mn(2) is bonded to one F(1), one F(4), one F(7), one F(8), and one F(9) atom to form corner-sharing MnF5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 8-17°. There are nine inequivalent F sites. In the first F site, F(1) is bonded in a single-bond geometry to one Mn(2) atom. In the second F site, F(2) is bonded in a bent 120 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. 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 bent 150 degrees geometry to one Li(1) and one Mn(1) atom. In the sixth F site, F(6) is bonded in a single-bond geometry to one Mn(1) atom. In the seventh F site, F(7) is bonded in a single-bond geometry to one Mn(2) atom. In the eighth F site, F(8) is bonded in a linear geometry to one Mn(1) and one Mn(2) atom. In the ninth F site, F(9) is bonded in a bent 120 degrees geometry to one Li(1) and one Mn(2) atom.
LiMn2F9 crystallizes in the triclinic P-1 space group. Li(1) is bonded in a rectangular see-saw-like geometry to one F(2), one F(3), one F(5), and one F(9) atom. The Li(1)-F(2) bond length is 1.94 Å. The Li(1)-F(3) bond length is 1.99 Å. The Li(1)-F(5) bond length is 1.97 Å. The Li(1)-F(9) bond length is 2.21 Å. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one F(2), one F(3), one F(4), one F(5), one F(6), and one F(8) atom to form corner-sharing MnF6 octahedra. The Mn(1)-F(2) bond length is 1.80 Å. The Mn(1)-F(3) bond length is 1.80 Å. The Mn(1)-F(4) bond length is 1.97 Å. The Mn(1)-F(5) bond length is 1.85 Å. The Mn(1)-F(6) bond length is 1.78 Å. The Mn(1)-F(8) bond length is 1.96 Å. In the second Mn site, Mn(2) is bonded to one F(1), one F(4), one F(7), one F(8), and one F(9) atom to form corner-sharing MnF5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 8-17°. The Mn(2)-F(1) bond length is 1.75 Å. The Mn(2)-F(4) bond length is 1.90 Å. The Mn(2)-F(7) bond length is 1.74 Å. The Mn(2)-F(8) bond length is 1.89 Å. The Mn(2)-F(9) bond length is 1.79 Å. There are nine inequivalent F sites. In the first F site, F(1) is bonded in a single-bond geometry to one Mn(2) atom. In the second F site, F(2) is bonded in a bent 120 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. 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 bent 150 degrees geometry to one Li(1) and one Mn(1) atom. In the sixth F site, F(6) is bonded in a single-bond geometry to one Mn(1) atom. In the seventh F site, F(7) is bonded in a single-bond geometry to one Mn(2) atom. In the eighth F site, F(8) is bonded in a linear geometry to one Mn(1) and one Mn(2) atom. In the ninth F site, F(9) is bonded in a bent 120 degrees geometry to one Li(1) and one Mn(2) atom.