Li2Mn3F8 crystallizes in the triclinic P-1 space group. Li(1) is bonded in a 5-coordinate geometry to one F(1), one F(3), one F(4), and two equivalent F(2) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent F(1), two equivalent F(3), and two equivalent F(4) atoms to form corner-sharing MnF6 octahedra. The corner-sharing octahedral tilt angles range from 48-59°. In the second Mn site, Mn(2) is bonded to one F(1), one F(4), two equivalent F(2), and two equivalent F(3) atoms to form a mixture of edge and corner-sharing MnF6 octahedra. The corner-sharing octahedral tilt angles range from 48-59°. There are four 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 see-saw-like geometry to two equivalent Li(1) and two equivalent Mn(2) atoms. In the third F site, F(3) is bonded to one Li(1), one Mn(1), and two equivalent Mn(2) atoms to form a mixture of edge and corner-sharing FLiMn3 trigonal pyramids. In the fourth F site, F(4) is bonded in a trigonal planar geometry to one Li(1), one Mn(1), and one Mn(2) atom.
Li2Mn3F8 crystallizes in the triclinic P-1 space group. Li(1) is bonded in a 5-coordinate geometry to one F(1), one F(3), one F(4), and two equivalent F(2) atoms. The Li(1)-F(1) bond length is 1.94 Å. The Li(1)-F(3) bond length is 2.22 Å. The Li(1)-F(4) bond length is 1.93 Å. There is one shorter (1.94 Å) and one longer (2.29 Å) Li(1)-F(2) bond length. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent F(1), two equivalent F(3), and two equivalent F(4) atoms to form corner-sharing MnF6 octahedra. The corner-sharing octahedral tilt angles range from 48-59°. Both Mn(1)-F(1) bond lengths are 2.14 Å. Both Mn(1)-F(3) bond lengths are 2.21 Å. Both Mn(1)-F(4) bond lengths are 2.12 Å. In the second Mn site, Mn(2) is bonded to one F(1), one F(4), two equivalent F(2), and two equivalent F(3) atoms to form a mixture of edge and corner-sharing MnF6 octahedra. The corner-sharing octahedral tilt angles range from 48-59°. The Mn(2)-F(1) bond length is 2.12 Å. The Mn(2)-F(4) bond length is 2.08 Å. There is one shorter (2.14 Å) and one longer (2.22 Å) Mn(2)-F(2) bond length. There is one shorter (2.20 Å) and one longer (2.22 Å) Mn(2)-F(3) bond length. There are four 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 see-saw-like geometry to two equivalent Li(1) and two equivalent Mn(2) atoms. In the third F site, F(3) is bonded to one Li(1), one Mn(1), and two equivalent Mn(2) atoms to form a mixture of edge and corner-sharing FLiMn3 trigonal pyramids. In the fourth F site, F(4) is bonded in a trigonal planar geometry to one Li(1), one Mn(1), and one Mn(2) atom.