LiMnF4 crystallizes in the monoclinic C2/m space group. Li(1) is bonded in a 6-coordinate geometry to one F(2), one F(3), two equivalent F(1), and two equivalent F(4) atoms. Mn(1) is bonded to one F(1), one F(2), one F(4), and three equivalent F(3) atoms to form a mixture of corner and edge-sharing MnF6 octahedra. The corner-sharing octahedral tilt angles are 29°. There are four inequivalent F sites. In the first F site, F(1) is bonded in a 3-coordinate geometry to two equivalent Li(1) and one Mn(1) atom. In the second F site, F(2) is bonded in a linear geometry to one Li(1) and one Mn(1) atom. In the third F site, F(3) is bonded to one Li(1) and three equivalent Mn(1) atoms to form a mixture of corner and edge-sharing FLiMn3 trigonal pyramids. In the fourth F site, F(4) is bonded in a distorted trigonal planar geometry to two equivalent Li(1) and one Mn(1) atom.
LiMnF4 crystallizes in the monoclinic C2/m space group. Li(1) is bonded in a 6-coordinate geometry to one F(2), one F(3), two equivalent F(1), and two equivalent F(4) atoms. The Li(1)-F(2) bond length is 1.90 Å. The Li(1)-F(3) bond length is 2.38 Å. There is one shorter (1.92 Å) and one longer (2.26 Å) Li(1)-F(1) bond length. Both Li(1)-F(4) bond lengths are 2.25 Å. Mn(1) is bonded to one F(1), one F(2), one F(4), and three equivalent F(3) atoms to form a mixture of corner and edge-sharing MnF6 octahedra. The corner-sharing octahedral tilt angles are 29°. The Mn(1)-F(1) bond length is 1.86 Å. The Mn(1)-F(2) bond length is 1.83 Å. The Mn(1)-F(4) bond length is 1.86 Å. There is one shorter (2.02 Å) and two longer (2.20 Å) Mn(1)-F(3) bond lengths. There are four inequivalent F sites. In the first F site, F(1) is bonded in a 3-coordinate geometry to two equivalent Li(1) and one Mn(1) atom. In the second F site, F(2) is bonded in a linear geometry to one Li(1) and one Mn(1) atom. In the third F site, F(3) is bonded to one Li(1) and three equivalent Mn(1) atoms to form a mixture of corner and edge-sharing FLiMn3 trigonal pyramids. In the fourth F site, F(4) is bonded in a distorted trigonal planar geometry to two equivalent Li(1) and one Mn(1) atom.