LiMnF4 is Hydrophilite-derived structured and crystallizes in the orthorhombic Pnma space group. Li(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form LiF6 octahedra that share corners with four equivalent Mn(1)F6 octahedra, edges with two equivalent Li(1)F6 octahedra, and edges with two equivalent Mn(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 48-50°. Mn(1) is bonded to one F(1), one F(3), and four equivalent F(2) atoms to form MnF6 octahedra that share corners with four equivalent Li(1)F6 octahedra, corners with four equivalent Mn(1)F6 octahedra, and edges with two equivalent Li(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 47-50°. There are three inequivalent F sites. In the first F site, F(1) is bonded in a distorted T-shaped geometry to two equivalent Li(1) and one Mn(1) atom. In the second F site, F(2) is bonded in a distorted T-shaped geometry to one Li(1) and two equivalent Mn(1) atoms. In the third F site, F(3) is bonded in a trigonal non-coplanar geometry to two equivalent Li(1) and one Mn(1) atom.
LiMnF4 is Hydrophilite-derived structured and crystallizes in the orthorhombic Pnma space group. Li(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form LiF6 octahedra that share corners with four equivalent Mn(1)F6 octahedra, edges with two equivalent Li(1)F6 octahedra, and edges with two equivalent Mn(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 48-50°. Both Li(1)-F(1) bond lengths are 2.07 Å. Both Li(1)-F(2) bond lengths are 2.13 Å. Both Li(1)-F(3) bond lengths are 1.97 Å. Mn(1) is bonded to one F(1), one F(3), and four equivalent F(2) atoms to form MnF6 octahedra that share corners with four equivalent Li(1)F6 octahedra, corners with four equivalent Mn(1)F6 octahedra, and edges with two equivalent Li(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 47-50°. The Mn(1)-F(1) bond length is 1.85 Å. The Mn(1)-F(3) bond length is 1.86 Å. There are two shorter (2.04 Å) and two longer (2.05 Å) Mn(1)-F(2) bond lengths. There are three inequivalent F sites. In the first F site, F(1) is bonded in a distorted T-shaped geometry to two equivalent Li(1) and one Mn(1) atom. In the second F site, F(2) is bonded in a distorted T-shaped geometry to one Li(1) and two equivalent Mn(1) atoms. In the third F site, F(3) is bonded in a trigonal non-coplanar geometry to two equivalent Li(1) and one Mn(1) atom.