LiMn2OF5 is Hydrophilite-derived structured and crystallizes in the orthorhombic Pca2_1 space group. Li(1) is bonded to one O(1), one F(1), one F(2), one F(3), one F(4), and one F(5) atom to form LiOF5 octahedra that share corners with two equivalent Mn(1)O2F4 octahedra, corners with six equivalent Mn(2)F6 octahedra, and edges with two equivalent Mn(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 50-55°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(1), one F(1), one F(4), and two equivalent F(3) atoms to form MnO2F4 octahedra that share corners with two equivalent Li(1)OF5 octahedra, corners with two equivalent Mn(2)F6 octahedra, corners with four equivalent Mn(1)O2F4 octahedra, and edges with two equivalent Li(1)OF5 octahedra. The corner-sharing octahedral tilt angles range from 46-55°. In the second Mn site, Mn(2) is bonded to one F(1), one F(4), two equivalent F(2), and two equivalent F(5) atoms to form MnF6 octahedra that share corners with two equivalent Mn(1)O2F4 octahedra, corners with six equivalent Li(1)OF5 octahedra, and edges with two equivalent Mn(2)F6 octahedra. The corner-sharing octahedral tilt angles range from 47-55°. O(1) is bonded in a distorted trigonal planar geometry to one Li(1) and two equivalent Mn(1) atoms. There are five inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to one Li(1), one Mn(1), and one Mn(2) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Li(1) and two equivalent Mn(2) atoms. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Li(1) and two equivalent Mn(1) atoms. In the fourth F site, F(4) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(1), and one Mn(2) atom. In the fifth F site, F(5) is bonded in a trigonal planar geometry to one Li(1) and two equivalent Mn(2) atoms.
LiMn2OF5 is Hydrophilite-derived structured and crystallizes in the orthorhombic Pca2_1 space group. Li(1) is bonded to one O(1), one F(1), one F(2), one F(3), one F(4), and one F(5) atom to form LiOF5 octahedra that share corners with two equivalent Mn(1)O2F4 octahedra, corners with six equivalent Mn(2)F6 octahedra, and edges with two equivalent Mn(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 50-55°. The Li(1)-O(1) bond length is 2.09 Å. The Li(1)-F(1) bond length is 1.96 Å. The Li(1)-F(2) bond length is 1.97 Å. The Li(1)-F(3) bond length is 2.19 Å. The Li(1)-F(4) bond length is 1.93 Å. The Li(1)-F(5) bond length is 2.02 Å. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(1), one F(1), one F(4), and two equivalent F(3) atoms to form MnO2F4 octahedra that share corners with two equivalent Li(1)OF5 octahedra, corners with two equivalent Mn(2)F6 octahedra, corners with four equivalent Mn(1)O2F4 octahedra, and edges with two equivalent Li(1)OF5 octahedra. The corner-sharing octahedral tilt angles range from 46-55°. There is one shorter (1.79 Å) and one longer (1.84 Å) Mn(1)-O(1) bond length. The Mn(1)-F(1) bond length is 1.99 Å. The Mn(1)-F(4) bond length is 1.99 Å. There is one shorter (1.99 Å) and one longer (2.00 Å) Mn(1)-F(3) bond length. In the second Mn site, Mn(2) is bonded to one F(1), one F(4), two equivalent F(2), and two equivalent F(5) atoms to form MnF6 octahedra that share corners with two equivalent Mn(1)O2F4 octahedra, corners with six equivalent Li(1)OF5 octahedra, and edges with two equivalent Mn(2)F6 octahedra. The corner-sharing octahedral tilt angles range from 47-55°. The Mn(2)-F(1) bond length is 1.98 Å. The Mn(2)-F(4) bond length is 2.01 Å. There is one shorter (1.93 Å) and one longer (2.12 Å) Mn(2)-F(2) bond length. There is one shorter (1.94 Å) and one longer (2.08 Å) Mn(2)-F(5) bond length. O(1) is bonded in a distorted trigonal planar geometry to one Li(1) and two equivalent Mn(1) atoms. There are five inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to one Li(1), one Mn(1), and one Mn(2) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Li(1) and two equivalent Mn(2) atoms. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Li(1) and two equivalent Mn(1) atoms. In the fourth F site, F(4) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(1), and one Mn(2) atom. In the fifth F site, F(5) is bonded in a trigonal planar geometry to one Li(1) and two equivalent Mn(2) atoms.