LiAuF4 crystallizes in the monoclinic P2/c space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent F(2), two equivalent F(3), and two equivalent F(4) atoms to form edge-sharing LiF6 octahedra. In the second Li site, Li(2) is bonded to two equivalent F(1), two equivalent F(3), and two equivalent F(4) atoms to form edge-sharing LiF6 octahedra. There are two inequivalent Au sites. In the first Au site, Au(1) is bonded in a square co-planar geometry to two equivalent F(1) and two equivalent F(4) atoms. In the second Au site, Au(2) is bonded in a square co-planar geometry to two equivalent F(2) and two equivalent F(3) atoms. There are four inequivalent F sites. In the first F site, F(1) is bonded in a bent 120 degrees geometry to one Li(2) and one Au(1) atom. In the second F site, F(2) is bonded in a bent 120 degrees geometry to one Li(1) and one Au(2) atom. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Li(1), one Li(2), and one Au(2) atom. In the fourth F site, F(4) is bonded in a distorted trigonal planar geometry to one Li(1), one Li(2), and one Au(1) atom.
LiAuF4 crystallizes in the monoclinic P2/c space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent F(2), two equivalent F(3), and two equivalent F(4) atoms to form edge-sharing LiF6 octahedra. Both Li(1)-F(2) bond lengths are 1.94 Å. Both Li(1)-F(3) bond lengths are 1.96 Å. Both Li(1)-F(4) bond lengths are 2.11 Å. In the second Li site, Li(2) is bonded to two equivalent F(1), two equivalent F(3), and two equivalent F(4) atoms to form edge-sharing LiF6 octahedra. Both Li(2)-F(1) bond lengths are 1.94 Å. Both Li(2)-F(3) bond lengths are 2.09 Å. Both Li(2)-F(4) bond lengths are 1.97 Å. There are two inequivalent Au sites. In the first Au site, Au(1) is bonded in a square co-planar geometry to two equivalent F(1) and two equivalent F(4) atoms. Both Au(1)-F(1) bond lengths are 1.94 Å. Both Au(1)-F(4) bond lengths are 1.94 Å. In the second Au site, Au(2) is bonded in a square co-planar geometry to two equivalent F(2) and two equivalent F(3) atoms. Both Au(2)-F(2) bond lengths are 1.94 Å. Both Au(2)-F(3) bond lengths are 1.94 Å. There are four inequivalent F sites. In the first F site, F(1) is bonded in a bent 120 degrees geometry to one Li(2) and one Au(1) atom. In the second F site, F(2) is bonded in a bent 120 degrees geometry to one Li(1) and one Au(2) atom. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Li(1), one Li(2), and one Au(2) atom. In the fourth F site, F(4) is bonded in a distorted trigonal planar geometry to one Li(1), one Li(2), and one Au(1) atom.