LiMn2F6 is Hydrophilite-derived structured and crystallizes in the monoclinic C2 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 six equivalent Mn(1)F6 octahedra and corners with six equivalent Mn(2)F6 octahedra. The corner-sharing octahedral tilt angles range from 46-58°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form MnF6 octahedra that share corners with six equivalent Li(1)F6 octahedra and edges with three equivalent Mn(2)F6 octahedra. The corner-sharing octahedral tilt angles range from 55-58°. In the second Mn site, Mn(2) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form MnF6 octahedra that share corners with six equivalent Li(1)F6 octahedra and edges with three equivalent Mn(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 46-49°. There are three inequivalent F sites. In the first F site, F(1) is bonded in a distorted 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), one Mn(1), and one Mn(2) atom. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(1), and one Mn(2) atom.
LiMn2F6 is Hydrophilite-derived structured and crystallizes in the monoclinic C2 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 six equivalent Mn(1)F6 octahedra and corners with six equivalent Mn(2)F6 octahedra. The corner-sharing octahedral tilt angles range from 46-58°. Both Li(1)-F(1) bond lengths are 2.21 Å. Both Li(1)-F(2) bond lengths are 2.05 Å. Both Li(1)-F(3) bond lengths are 2.42 Å. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form MnF6 octahedra that share corners with six equivalent Li(1)F6 octahedra and edges with three equivalent Mn(2)F6 octahedra. The corner-sharing octahedral tilt angles range from 55-58°. Both Mn(1)-F(1) bond lengths are 2.21 Å. Both Mn(1)-F(2) bond lengths are 2.06 Å. Both Mn(1)-F(3) bond lengths are 2.16 Å. In the second Mn site, Mn(2) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form MnF6 octahedra that share corners with six equivalent Li(1)F6 octahedra and edges with three equivalent Mn(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 46-49°. Both Mn(2)-F(1) bond lengths are 1.92 Å. Both Mn(2)-F(2) bond lengths are 2.13 Å. Both Mn(2)-F(3) bond lengths are 1.90 Å. There are three inequivalent F sites. In the first F site, F(1) is bonded in a distorted 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), one Mn(1), and one Mn(2) atom. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(1), and one Mn(2) atom.