Li3RhF6 crystallizes in the triclinic P-1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a distorted square co-planar geometry to two equivalent F(2) and two equivalent F(3) atoms. In the second Li site, Li(2) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form distorted LiF6 octahedra that share faces with two equivalent Rh(1)F6 octahedra. In the third Li site, Li(3) is bonded in a square co-planar geometry to two equivalent F(1) and two equivalent F(3) atoms. Rh(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form RhF6 octahedra that share faces with two equivalent Li(2)F6 octahedra. There are three inequivalent F sites. In the first F site, F(1) is bonded in a distorted T-shaped geometry to one Li(2), one Li(3), and one Rh(1) atom. In the second F site, F(2) is bonded in a 3-coordinate geometry to one Li(1), one Li(2), and one Rh(1) atom. In the third F site, F(3) is bonded in a distorted see-saw-like geometry to one Li(1), one Li(2), one Li(3), and one Rh(1) atom.
Li3RhF6 crystallizes in the triclinic P-1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a distorted square co-planar geometry to two equivalent F(2) and two equivalent F(3) atoms. Both Li(1)-F(2) bond lengths are 1.88 Å. Both Li(1)-F(3) bond lengths are 2.33 Å. In the second Li site, Li(2) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form distorted LiF6 octahedra that share faces with two equivalent Rh(1)F6 octahedra. Both Li(2)-F(1) bond lengths are 1.97 Å. Both Li(2)-F(2) bond lengths are 2.34 Å. Both Li(2)-F(3) bond lengths are 1.93 Å. In the third Li site, Li(3) is bonded in a square co-planar geometry to two equivalent F(1) and two equivalent F(3) atoms. Both Li(3)-F(1) bond lengths are 2.01 Å. Both Li(3)-F(3) bond lengths are 2.06 Å. Rh(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form RhF6 octahedra that share faces with two equivalent Li(2)F6 octahedra. Both Rh(1)-F(1) bond lengths are 2.03 Å. Both Rh(1)-F(2) bond lengths are 2.01 Å. Both Rh(1)-F(3) bond lengths are 2.03 Å. There are three inequivalent F sites. In the first F site, F(1) is bonded in a distorted T-shaped geometry to one Li(2), one Li(3), and one Rh(1) atom. In the second F site, F(2) is bonded in a 3-coordinate geometry to one Li(1), one Li(2), and one Rh(1) atom. In the third F site, F(3) is bonded in a distorted see-saw-like geometry to one Li(1), one Li(2), one Li(3), and one Rh(1) atom.