LiMnF3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. Li(1) is bonded to two equivalent F(1) and two equivalent F(2) atoms to form distorted LiF4 tetrahedra that share corners with eight equivalent Mn(1)F6 octahedra and corners with two equivalent Li(1)F4 tetrahedra. The corner-sharing octahedral tilt angles range from 63-82°. Mn(1) is bonded to two equivalent F(1) and four equivalent F(2) atoms to form MnF6 octahedra that share corners with six equivalent Mn(1)F6 octahedra and corners with eight equivalent Li(1)F4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-52°. 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 distorted corner-sharing FLi2Mn2 tetrahedra. In the second F site, F(2) is bonded in a trigonal planar geometry to one 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 two equivalent F(2) atoms to form distorted LiF4 tetrahedra that share corners with eight equivalent Mn(1)F6 octahedra and corners with two equivalent Li(1)F4 tetrahedra. The corner-sharing octahedral tilt angles range from 63-82°. There is one shorter (1.98 Å) and one longer (2.15 Å) Li(1)-F(1) bond length. Both Li(1)-F(2) bond lengths are 1.95 Å. Mn(1) is bonded to two equivalent F(1) and four equivalent F(2) atoms to form MnF6 octahedra that share corners with six equivalent Mn(1)F6 octahedra and corners with eight equivalent Li(1)F4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-52°. Both Mn(1)-F(1) bond lengths are 2.21 Å. There are two shorter (2.12 Å) and two longer (2.13 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 distorted corner-sharing FLi2Mn2 tetrahedra. In the second F site, F(2) is bonded in a trigonal planar geometry to one Li(1) and two equivalent Mn(1) atoms.