LiAu3Sn4 crystallizes in the hexagonal P6_3mc space group. Li(1) is bonded in a 10-coordinate geometry to one Au(1), three equivalent Au(3), three equivalent Sn(1), and three equivalent Sn(3) atoms. There are three inequivalent Au sites. In the first Au site, Au(1) is bonded in a 7-coordinate geometry to one Li(1), one Au(2), three equivalent Sn(1), and three equivalent Sn(4) atoms. In the second Au site, Au(2) is bonded in a 8-coordinate geometry to one Au(1), one Sn(3), three equivalent Sn(2), and three equivalent Sn(4) atoms. In the third Au site, Au(3) is bonded in a body-centered cubic geometry to three equivalent Li(1), one Sn(1), one Sn(2), and three equivalent Sn(3) atoms. There are four inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 7-coordinate geometry to three equivalent Li(1), one Au(3), and three equivalent Au(1) atoms. In the second Sn site, Sn(2) is bonded to one Au(3) and three equivalent Au(2) atoms to form corner-sharing SnAu4 tetrahedra. In the third Sn site, Sn(3) is bonded in a 7-coordinate geometry to three equivalent Li(1), one Au(2), and three equivalent Au(3) atoms. In the fourth Sn site, Sn(4) is bonded in a 6-coordinate geometry to three equivalent Au(1) and three equivalent Au(2) atoms.
LiAu3Sn4 crystallizes in the hexagonal P6_3mc space group. Li(1) is bonded in a 10-coordinate geometry to one Au(1), three equivalent Au(3), three equivalent Sn(1), and three equivalent Sn(3) atoms. The Li(1)-Au(1) bond length is 2.75 Å. All Li(1)-Au(3) bond lengths are 2.79 Å. All Li(1)-Sn(1) bond lengths are 3.13 Å. All Li(1)-Sn(3) bond lengths are 3.17 Å. There are three inequivalent Au sites. In the first Au site, Au(1) is bonded in a 7-coordinate geometry to one Li(1), one Au(2), three equivalent Sn(1), and three equivalent Sn(4) atoms. The Au(1)-Au(2) bond length is 2.89 Å. All Au(1)-Sn(1) bond lengths are 2.81 Å. All Au(1)-Sn(4) bond lengths are 2.91 Å. In the second Au site, Au(2) is bonded in a 8-coordinate geometry to one Au(1), one Sn(3), three equivalent Sn(2), and three equivalent Sn(4) atoms. The Au(2)-Sn(3) bond length is 2.92 Å. All Au(2)-Sn(2) bond lengths are 2.78 Å. All Au(2)-Sn(4) bond lengths are 3.08 Å. In the third Au site, Au(3) is bonded in a body-centered cubic geometry to three equivalent Li(1), one Sn(1), one Sn(2), and three equivalent Sn(3) atoms. The Au(3)-Sn(1) bond length is 2.70 Å. The Au(3)-Sn(2) bond length is 2.79 Å. All Au(3)-Sn(3) bond lengths are 2.74 Å. There are four inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 7-coordinate geometry to three equivalent Li(1), one Au(3), and three equivalent Au(1) atoms. In the second Sn site, Sn(2) is bonded to one Au(3) and three equivalent Au(2) atoms to form corner-sharing SnAu4 tetrahedra. In the third Sn site, Sn(3) is bonded in a 7-coordinate geometry to three equivalent Li(1), one Au(2), and three equivalent Au(3) atoms. In the fourth Sn site, Sn(4) is bonded in a 6-coordinate geometry to three equivalent Au(1) and three equivalent Au(2) atoms.