AuCu is Tetraauricupride-like structured and crystallizes in the orthorhombic Imma space group. There are five inequivalent Au sites. In the first Au site, Au(1) is bonded in a 12-coordinate geometry to two equivalent Au(1), two equivalent Au(2), two equivalent Cu(3), and six equivalent Cu(1) atoms. In the second Au site, Au(2) is bonded in a distorted body-centered cubic geometry to two equivalent Au(1), two equivalent Cu(1), two equivalent Cu(2), and four equivalent Cu(3) atoms. In the third Au site, Au(3) is bonded in a distorted body-centered cubic geometry to two equivalent Cu(3), two equivalent Cu(4), and four equivalent Cu(2) atoms. In the fourth Au site, Au(4) is bonded in a distorted body-centered cubic geometry to two equivalent Cu(4) and six equivalent Cu(5) atoms. In the fifth Au site, Au(5) is bonded in a distorted body-centered cubic geometry to two equivalent Cu(2), two equivalent Cu(5), and four equivalent Cu(4) atoms. There are five inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 12-coordinate geometry to two equivalent Au(2), six equivalent Au(1), two equivalent Cu(1), and two equivalent Cu(3) atoms. In the second Cu site, Cu(2) is bonded in a distorted body-centered cubic geometry to two equivalent Au(2), two equivalent Au(5), and four equivalent Au(3) atoms. In the third Cu site, Cu(3) is bonded in a distorted body-centered cubic geometry to two equivalent Au(1), two equivalent Au(3), four equivalent Au(2), and two equivalent Cu(1) atoms. In the fourth Cu site, Cu(4) is bonded in a distorted body-centered cubic geometry to two equivalent Au(3), two equivalent Au(4), and four equivalent Au(5) atoms. In the fifth Cu site, Cu(5) is bonded in a distorted body-centered cubic geometry to two equivalent Au(5) and six equivalent Au(4) atoms.
AuCu is Tetraauricupride-like structured and crystallizes in the orthorhombic Imma space group. There are five inequivalent Au sites. In the first Au site, Au(1) is bonded in a 12-coordinate geometry to two equivalent Au(1), two equivalent Au(2), two equivalent Cu(3), and six equivalent Cu(1) atoms. Both Au(1)-Au(1) bond lengths are 2.83 Å. Both Au(1)-Au(2) bond lengths are 2.83 Å. Both Au(1)-Cu(3) bond lengths are 2.68 Å. There are four shorter (2.73 Å) and two longer (2.86 Å) Au(1)-Cu(1) bond lengths. In the second Au site, Au(2) is bonded in a distorted body-centered cubic geometry to two equivalent Au(1), two equivalent Cu(1), two equivalent Cu(2), and four equivalent Cu(3) atoms. Both Au(2)-Cu(1) bond lengths are 2.80 Å. Both Au(2)-Cu(2) bond lengths are 2.72 Å. All Au(2)-Cu(3) bond lengths are 2.73 Å. In the third Au site, Au(3) is bonded in a distorted body-centered cubic geometry to two equivalent Cu(3), two equivalent Cu(4), and four equivalent Cu(2) atoms. Both Au(3)-Cu(3) bond lengths are 2.75 Å. Both Au(3)-Cu(4) bond lengths are 2.72 Å. All Au(3)-Cu(2) bond lengths are 2.73 Å. In the fourth Au site, Au(4) is bonded in a distorted body-centered cubic geometry to two equivalent Cu(4) and six equivalent Cu(5) atoms. Both Au(4)-Cu(4) bond lengths are 2.73 Å. There are two shorter (2.72 Å) and four longer (2.73 Å) Au(4)-Cu(5) bond lengths. In the fifth Au site, Au(5) is bonded in a distorted body-centered cubic geometry to two equivalent Cu(2), two equivalent Cu(5), and four equivalent Cu(4) atoms. Both Au(5)-Cu(2) bond lengths are 2.73 Å. Both Au(5)-Cu(5) bond lengths are 2.72 Å. All Au(5)-Cu(4) bond lengths are 2.73 Å. There are five inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 12-coordinate geometry to two equivalent Au(2), six equivalent Au(1), two equivalent Cu(1), and two equivalent Cu(3) atoms. Both Cu(1)-Cu(1) bond lengths are 2.62 Å. Both Cu(1)-Cu(3) bond lengths are 2.92 Å. In the second Cu site, Cu(2) is bonded in a distorted body-centered cubic geometry to two equivalent Au(2), two equivalent Au(5), and four equivalent Au(3) atoms. In the third Cu site, Cu(3) is bonded in a distorted body-centered cubic geometry to two equivalent Au(1), two equivalent Au(3), four equivalent Au(2), and two equivalent Cu(1) atoms. In the fourth Cu site, Cu(4) is bonded in a distorted body-centered cubic geometry to two equivalent Au(3), two equivalent Au(4), and four equivalent Au(5) atoms. In the fifth Cu site, Cu(5) is bonded in a distorted body-centered cubic geometry to two equivalent Au(5) and six equivalent Au(4) atoms.