LiAu4Se4(O3Cl)4 crystallizes in the triclinic P1 space group. Li(1) is bonded to one Cl(1), one Cl(3), and two equivalent Cl(2) atoms to form distorted corner-sharing LiCl4 trigonal pyramids. There are four inequivalent Au sites. In the first Au site, Au(1) is bonded in a rectangular see-saw-like geometry to one O(3), one O(5), one O(7), and one Cl(2) atom. In the second Au site, Au(2) is bonded in a square co-planar geometry to one O(1), one O(11), one O(4), and one O(6) atom. In the third Au site, Au(3) is bonded in a rectangular see-saw-like geometry to one O(10), one O(2), one O(8), and one Cl(1) atom. In the fourth Au site, Au(4) is bonded in a square co-planar geometry to one O(12), one O(9), one Cl(3), and one Cl(4) atom. There are four inequivalent Se sites. In the first Se site, Se(1) is bonded in a distorted trigonal non-coplanar geometry to one O(1), one O(3), and one O(9) atom. In the second Se site, Se(2) is bonded in a trigonal non-coplanar geometry to one O(10), one O(6), and one O(7) atom. In the third Se site, Se(3) is bonded in a trigonal non-coplanar geometry to one O(2), one O(4), and one O(5) atom. In the fourth Se site, Se(4) is bonded in a distorted trigonal non-coplanar geometry to one O(11), one O(12), and one O(8) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Au(2) and one Se(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Au(3) and one Se(3) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Au(1) and one Se(1) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Au(2) and one Se(3) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Au(1) and one Se(3) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Au(2) and one Se(2) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one Au(1) and one Se(2) atom. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one Au(3) and one Se(4) atom. In the ninth O site, O(9) is bonded in a bent 120 degrees geometry to one Au(4) and one Se(1) atom. In the tenth O site, O(10) is bonded in a bent 120 degrees geometry to one Au(3) and one Se(2) atom. In the eleventh O site, O(11) is bonded in a bent 120 degrees geometry to one Au(2) and one Se(4) atom. In the twelfth O site, O(12) is bonded in a bent 120 degrees geometry to one Au(4) and one Se(4) atom. There are four inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a water-like geometry to one Li(1) and one Au(3) atom. In the second Cl site, Cl(2) is bonded in a distorted T-shaped geometry to two equivalent Li(1) and one Au(1) atom. In the third Cl site, Cl(3) is bonded in a bent 120 degrees geometry to one Li(1) and one Au(4) atom. In the fourth Cl site, Cl(4) is bonded in a single-bond geometry to one Au(4) atom.
LiAu4Se4(O3Cl)4 crystallizes in the triclinic P1 space group. Li(1) is bonded to one Cl(1), one Cl(3), and two equivalent Cl(2) atoms to form distorted corner-sharing LiCl4 trigonal pyramids. The Li(1)-Cl(1) bond length is 2.39 Å. The Li(1)-Cl(3) bond length is 2.42 Å. There is one shorter (2.38 Å) and one longer (2.87 Å) Li(1)-Cl(2) bond length. There are four inequivalent Au sites. In the first Au site, Au(1) is bonded in a rectangular see-saw-like geometry to one O(3), one O(5), one O(7), and one Cl(2) atom. The Au(1)-O(3) bond length is 2.09 Å. The Au(1)-O(5) bond length is 2.07 Å. The Au(1)-O(7) bond length is 2.08 Å. The Au(1)-Cl(2) bond length is 2.40 Å. In the second Au site, Au(2) is bonded in a square co-planar geometry to one O(1), one O(11), one O(4), and one O(6) atom. The Au(2)-O(1) bond length is 2.05 Å. The Au(2)-O(11) bond length is 2.05 Å. The Au(2)-O(4) bond length is 2.05 Å. The Au(2)-O(6) bond length is 2.05 Å. In the third Au site, Au(3) is bonded in a rectangular see-saw-like geometry to one O(10), one O(2), one O(8), and one Cl(1) atom. The Au(3)-O(10) bond length is 2.05 Å. The Au(3)-O(2) bond length is 2.06 Å. The Au(3)-O(8) bond length is 2.07 Å. The Au(3)-Cl(1) bond length is 2.35 Å. In the fourth Au site, Au(4) is bonded in a square co-planar geometry to one O(12), one O(9), one Cl(3), and one Cl(4) atom. The Au(4)-O(12) bond length is 2.04 Å. The Au(4)-O(9) bond length is 2.03 Å. The Au(4)-Cl(3) bond length is 2.35 Å. The Au(4)-Cl(4) bond length is 2.30 Å. There are four inequivalent Se sites. In the first Se site, Se(1) is bonded in a distorted trigonal non-coplanar geometry to one O(1), one O(3), and one O(9) atom. The Se(1)-O(1) bond length is 1.74 Å. The Se(1)-O(3) bond length is 1.74 Å. The Se(1)-O(9) bond length is 1.77 Å. In the second Se site, Se(2) is bonded in a trigonal non-coplanar geometry to one O(10), one O(6), and one O(7) atom. The Se(2)-O(10) bond length is 1.75 Å. The Se(2)-O(6) bond length is 1.75 Å. The Se(2)-O(7) bond length is 1.73 Å. In the third Se site, Se(3) is bonded in a trigonal non-coplanar geometry to one O(2), one O(4), and one O(5) atom. The Se(3)-O(2) bond length is 1.74 Å. The Se(3)-O(4) bond length is 1.75 Å. The Se(3)-O(5) bond length is 1.75 Å. In the fourth Se site, Se(4) is bonded in a distorted trigonal non-coplanar geometry to one O(11), one O(12), and one O(8) atom. The Se(4)-O(11) bond length is 1.73 Å. The Se(4)-O(12) bond length is 1.76 Å. The Se(4)-O(8) bond length is 1.76 Å. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Au(2) and one Se(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Au(3) and one Se(3) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Au(1) and one Se(1) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Au(2) and one Se(3) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Au(1) and one Se(3) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Au(2) and one Se(2) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one Au(1) and one Se(2) atom. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one Au(3) and one Se(4) atom. In the ninth O site, O(9) is bonded in a bent 120 degrees geometry to one Au(4) and one Se(1) atom. In the tenth O site, O(10) is bonded in a bent 120 degrees geometry to one Au(3) and one Se(2) atom. In the eleventh O site, O(11) is bonded in a bent 120 degrees geometry to one Au(2) and one Se(4) atom. In the twelfth O site, O(12) is bonded in a bent 120 degrees geometry to one Au(4) and one Se(4) atom. There are four inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a water-like geometry to one Li(1) and one Au(3) atom. In the second Cl site, Cl(2) is bonded in a distorted T-shaped geometry to two equivalent Li(1) and one Au(1) atom. In the third Cl site, Cl(3) is bonded in a bent 120 degrees geometry to one Li(1) and one Au(4) atom. In the fourth Cl site, Cl(4) is bonded in a single-bond geometry to one Au(4) atom.