Cs7LiAu5O2 crystallizes in the monoclinic Cm space group. There are four inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a distorted single-bond geometry to one Au(5), two equivalent Au(4), and one O(1) atom. In the second Cs site, Cs(2) is bonded in a 2-coordinate geometry to one Au(4), one Au(5), and two equivalent O(1) atoms. In the third Cs site, Cs(3) is bonded in a 4-coordinate geometry to one Au(2), two equivalent Au(5), and one O(1) atom. In the fourth Cs site, Cs(4) is bonded in a 2-coordinate geometry to two equivalent Au(4) and two equivalent O(1) atoms. Li(1) is bonded in a distorted bent 120 degrees geometry to one Au(1) and one Au(2) atom. There are five inequivalent Au sites. In the first Au site, Au(1) is bonded in a distorted single-bond geometry to one Li(1) atom. In the second Au site, Au(2) is bonded in a distorted single-bond geometry to two equivalent Cs(3) and one Li(1) atom. In the third Au site, Au(3) is bonded in a linear geometry to two equivalent O(1) atoms. In the fourth Au site, Au(4) is bonded in a 8-coordinate geometry to two equivalent Cs(2), two equivalent Cs(4), and four equivalent Cs(1) atoms. In the fifth Au site, Au(5) is bonded in a distorted body-centered cubic geometry to two equivalent Cs(1), two equivalent Cs(2), and four equivalent Cs(3) atoms. O(1) is bonded to one Cs(1), one Cs(3), one Cs(4), two equivalent Cs(2), and one Au(3) atom to form corner-sharing OCs5Au octahedra. The corner-sharing octahedral tilt angles range from 1-7°.
Cs7LiAu5O2 crystallizes in the monoclinic Cm space group. There are four inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a distorted single-bond geometry to one Au(5), two equivalent Au(4), and one O(1) atom. The Cs(1)-Au(5) bond length is 4.22 Å. There is one shorter (3.87 Å) and one longer (3.89 Å) Cs(1)-Au(4) bond length. The Cs(1)-O(1) bond length is 2.96 Å. In the second Cs site, Cs(2) is bonded in a 2-coordinate geometry to one Au(4), one Au(5), and two equivalent O(1) atoms. The Cs(2)-Au(4) bond length is 3.85 Å. The Cs(2)-Au(5) bond length is 4.09 Å. Both Cs(2)-O(1) bond lengths are 2.98 Å. In the third Cs site, Cs(3) is bonded in a 4-coordinate geometry to one Au(2), two equivalent Au(5), and one O(1) atom. The Cs(3)-Au(2) bond length is 3.69 Å. There is one shorter (3.70 Å) and one longer (3.72 Å) Cs(3)-Au(5) bond length. The Cs(3)-O(1) bond length is 3.07 Å. In the fourth Cs site, Cs(4) is bonded in a 2-coordinate geometry to two equivalent Au(4) and two equivalent O(1) atoms. There is one shorter (3.96 Å) and one longer (3.99 Å) Cs(4)-Au(4) bond length. Both Cs(4)-O(1) bond lengths are 2.95 Å. Li(1) is bonded in a distorted bent 120 degrees geometry to one Au(1) and one Au(2) atom. The Li(1)-Au(1) bond length is 2.48 Å. The Li(1)-Au(2) bond length is 2.73 Å. There are five inequivalent Au sites. In the first Au site, Au(1) is bonded in a distorted single-bond geometry to one Li(1) atom. In the second Au site, Au(2) is bonded in a distorted single-bond geometry to two equivalent Cs(3) and one Li(1) atom. In the third Au site, Au(3) is bonded in a linear geometry to two equivalent O(1) atoms. Both Au(3)-O(1) bond lengths are 2.05 Å. In the fourth Au site, Au(4) is bonded in a 8-coordinate geometry to two equivalent Cs(2), two equivalent Cs(4), and four equivalent Cs(1) atoms. In the fifth Au site, Au(5) is bonded in a distorted body-centered cubic geometry to two equivalent Cs(1), two equivalent Cs(2), and four equivalent Cs(3) atoms. O(1) is bonded to one Cs(1), one Cs(3), one Cs(4), two equivalent Cs(2), and one Au(3) atom to form corner-sharing OCs5Au octahedra. The corner-sharing octahedral tilt angles range from 1-7°.