Li3AsF6 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 linear geometry to two equivalent F(2) atoms. In the second Li site, Li(2) is bonded in a square co-planar geometry to two equivalent F(1) and two equivalent F(3) atoms. 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. As(1) is bonded in an octahedral geometry to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms. There are three inequivalent F sites. In the first F site, F(1) is bonded in a T-shaped geometry to one Li(2), one Li(3), and one As(1) atom. In the second F site, F(2) is bonded in a bent 150 degrees geometry to one Li(1) and one As(1) atom. In the third F site, F(3) is bonded in a T-shaped geometry to one Li(2), one Li(3), and one As(1) atom.
Li3AsF6 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 linear geometry to two equivalent F(2) atoms. Both Li(1)-F(2) bond lengths are 1.76 Å. In the second Li site, Li(2) is bonded in a square co-planar geometry to two equivalent F(1) and two equivalent F(3) atoms. Both Li(2)-F(1) bond lengths are 1.92 Å. Both Li(2)-F(3) bond lengths are 1.91 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 1.97 Å. Both Li(3)-F(3) bond lengths are 2.00 Å. As(1) is bonded in an octahedral geometry to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms. Both As(1)-F(1) bond lengths are 2.10 Å. Both As(1)-F(2) bond lengths are 2.07 Å. Both As(1)-F(3) bond lengths are 2.09 Å. There are three inequivalent F sites. In the first F site, F(1) is bonded in a T-shaped geometry to one Li(2), one Li(3), and one As(1) atom. In the second F site, F(2) is bonded in a bent 150 degrees geometry to one Li(1) and one As(1) atom. In the third F site, F(3) is bonded in a T-shaped geometry to one Li(2), one Li(3), and one As(1) atom.