Li2Ti(OF3)2 crystallizes in the monoclinic C2/m space group. Li(1) is bonded to two equivalent O(1), two equivalent F(1), and two equivalent F(2) atoms to form LiO2F4 octahedra that share corners with four equivalent Ti(1)F6 octahedra and edges with two equivalent Li(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 35-57°. Ti(1) is bonded to two equivalent F(2) and four equivalent F(1) atoms to form TiF6 octahedra that share corners with eight equivalent Li(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 35-57°. O(1) is bonded in a water-like geometry to two equivalent Li(1) atoms. There are two inequivalent F sites. In the first F site, F(1) is bonded in a bent 150 degrees geometry to one Li(1) and one Ti(1) atom. In the second F site, F(2) is bonded in a trigonal planar geometry to two equivalent Li(1) and one Ti(1) atom.
Li2Ti(OF3)2 crystallizes in the monoclinic C2/m space group. Li(1) is bonded to two equivalent O(1), two equivalent F(1), and two equivalent F(2) atoms to form LiO2F4 octahedra that share corners with four equivalent Ti(1)F6 octahedra and edges with two equivalent Li(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 35-57°. Both Li(1)-O(1) bond lengths are 2.13 Å. Both Li(1)-F(1) bond lengths are 1.99 Å. Both Li(1)-F(2) bond lengths are 2.11 Å. Ti(1) is bonded to two equivalent F(2) and four equivalent F(1) atoms to form TiF6 octahedra that share corners with eight equivalent Li(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 35-57°. Both Ti(1)-F(2) bond lengths are 1.94 Å. All Ti(1)-F(1) bond lengths are 1.89 Å. O(1) is bonded in a water-like geometry to two equivalent Li(1) atoms. There are two inequivalent F sites. In the first F site, F(1) is bonded in a bent 150 degrees geometry to one Li(1) and one Ti(1) atom. In the second F site, F(2) is bonded in a trigonal planar geometry to two equivalent Li(1) and one Ti(1) atom.