LiMnF3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. Li(1) is bonded to two equivalent F(1) and four equivalent F(2) atoms to form corner-sharing LiF6 octahedra. The corner-sharing octahedral tilt angles range from 43-46°. Mn(1) is bonded in a 6-coordinate geometry to two equivalent F(1) and four equivalent F(2) atoms. There are two inequivalent F sites. In the first F site, F(1) is bonded to two equivalent Li(1) and two equivalent Mn(1) atoms to form corner-sharing FLi2Mn2 trigonal pyramids. In the second F site, F(2) is bonded in a 4-coordinate geometry to two equivalent Li(1) and two equivalent Mn(1) atoms.
LiMnF3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. Li(1) is bonded to two equivalent F(1) and four equivalent F(2) atoms to form corner-sharing LiF6 octahedra. The corner-sharing octahedral tilt angles range from 43-46°. Both Li(1)-F(1) bond lengths are 2.10 Å. There are two shorter (1.98 Å) and two longer (2.04 Å) Li(1)-F(2) bond lengths. Mn(1) is bonded in a 6-coordinate geometry to two equivalent F(1) and four equivalent F(2) atoms. There is one shorter (2.13 Å) and one longer (2.14 Å) Mn(1)-F(1) bond length. There are two shorter (2.14 Å) and two longer (2.36 Å) Mn(1)-F(2) bond lengths. There are two inequivalent F sites. In the first F site, F(1) is bonded to two equivalent Li(1) and two equivalent Mn(1) atoms to form corner-sharing FLi2Mn2 trigonal pyramids. In the second F site, F(2) is bonded in a 4-coordinate geometry to two equivalent Li(1) and two equivalent Mn(1) atoms.