YCu6In6 crystallizes in the orthorhombic Immm space group. Y(1) is bonded to four equivalent Cu(2), eight equivalent Cu(1), two equivalent In(1), two equivalent In(2), and four equivalent In(3) atoms to form distorted YIn8Cu12 hexagonal bipyramids that share corners with eight equivalent Y(1)In8Cu12 hexagonal bipyramids, faces with sixteen equivalent Cu(1)Y2In6Cu4 cuboctahedra, and faces with two equivalent Y(1)In8Cu12 hexagonal bipyramids. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to two equivalent Y(1), two equivalent Cu(1), two equivalent Cu(2), two equivalent In(1), two equivalent In(2), and two equivalent In(3) atoms to form distorted CuY2In6Cu4 cuboctahedra that share corners with ten equivalent Cu(1)Y2In6Cu4 cuboctahedra, edges with four equivalent Cu(1)Y2In6Cu4 cuboctahedra, faces with six equivalent Cu(1)Y2In6Cu4 cuboctahedra, and faces with four equivalent Y(1)In8Cu12 hexagonal bipyramids. In the second Cu site, Cu(2) is bonded in a 12-coordinate geometry to two equivalent Y(1), four equivalent Cu(1), two equivalent In(1), two equivalent In(2), and two equivalent In(3) atoms. There are three inequivalent In sites. In the first In site, In(1) is bonded in a 8-coordinate geometry to one Y(1), two equivalent Cu(2), four equivalent Cu(1), and one In(1) atom. In the second In site, In(2) is bonded in a 7-coordinate geometry to one Y(1), two equivalent Cu(2), and four equivalent Cu(1) atoms. In the third In site, In(3) is bonded in a 8-coordinate geometry to two equivalent Y(1), two equivalent Cu(2), and four equivalent Cu(1) atoms.
YCu6In6 crystallizes in the orthorhombic Immm space group. Y(1) is bonded to four equivalent Cu(2), eight equivalent Cu(1), two equivalent In(1), two equivalent In(2), and four equivalent In(3) atoms to form distorted YIn8Cu12 hexagonal bipyramids that share corners with eight equivalent Y(1)In8Cu12 hexagonal bipyramids, faces with sixteen equivalent Cu(1)Y2In6Cu4 cuboctahedra, and faces with two equivalent Y(1)In8Cu12 hexagonal bipyramids. All Y(1)-Cu(2) bond lengths are 3.47 Å. All Y(1)-Cu(1) bond lengths are 3.51 Å. Both Y(1)-In(1) bond lengths are 3.08 Å. Both Y(1)-In(2) bond lengths are 3.14 Å. All Y(1)-In(3) bond lengths are 3.18 Å. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to two equivalent Y(1), two equivalent Cu(1), two equivalent Cu(2), two equivalent In(1), two equivalent In(2), and two equivalent In(3) atoms to form distorted CuY2In6Cu4 cuboctahedra that share corners with ten equivalent Cu(1)Y2In6Cu4 cuboctahedra, edges with four equivalent Cu(1)Y2In6Cu4 cuboctahedra, faces with six equivalent Cu(1)Y2In6Cu4 cuboctahedra, and faces with four equivalent Y(1)In8Cu12 hexagonal bipyramids. Both Cu(1)-Cu(1) bond lengths are 2.71 Å. Both Cu(1)-Cu(2) bond lengths are 2.67 Å. Both Cu(1)-In(1) bond lengths are 2.78 Å. Both Cu(1)-In(2) bond lengths are 2.78 Å. Both Cu(1)-In(3) bond lengths are 2.72 Å. In the second Cu site, Cu(2) is bonded in a 12-coordinate geometry to two equivalent Y(1), four equivalent Cu(1), two equivalent In(1), two equivalent In(2), and two equivalent In(3) atoms. Both Cu(2)-In(1) bond lengths are 2.86 Å. Both Cu(2)-In(2) bond lengths are 2.80 Å. Both Cu(2)-In(3) bond lengths are 2.73 Å. There are three inequivalent In sites. In the first In site, In(1) is bonded in a 8-coordinate geometry to one Y(1), two equivalent Cu(2), four equivalent Cu(1), and one In(1) atom. The In(1)-In(1) bond length is 2.96 Å. In the second In site, In(2) is bonded in a 7-coordinate geometry to one Y(1), two equivalent Cu(2), and four equivalent Cu(1) atoms. In the third In site, In(3) is bonded in a 8-coordinate geometry to two equivalent Y(1), two equivalent Cu(2), and four equivalent Cu(1) atoms.