Cu6SbAs crystallizes in the orthorhombic Ama2 space group. There are eight inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 11-coordinate geometry to one Cu(2), one Cu(4), one Cu(5), one Cu(7), one Cu(8), two equivalent Cu(3), one Sb(1), one Sb(2), one As(1), and one As(2) atom. In the second Cu site, Cu(2) is bonded in a 11-coordinate geometry to one Cu(1), one Cu(3), one Cu(4), one Cu(5), one Cu(7), two equivalent Cu(2), one Sb(2), one As(1), and two equivalent As(2) atoms. In the third Cu site, Cu(3) is bonded in a 11-coordinate geometry to one Cu(8), two equivalent Cu(2), four equivalent Cu(1), two equivalent Sb(1), one As(1), and one As(2) atom. In the fourth Cu site, Cu(4) is bonded in a 11-coordinate geometry to one Cu(1), one Cu(2), one Cu(5), one Cu(7), one Cu(8), two equivalent Cu(6), one Sb(1), one Sb(2), one As(1), and one As(2) atom. In the fifth Cu site, Cu(5) is bonded in a 11-coordinate geometry to one Cu(1), one Cu(2), one Cu(4), one Cu(6), one Cu(8), two equivalent Cu(5), two equivalent Sb(2), one As(1), and one As(2) atom. In the sixth Cu site, Cu(6) is bonded in a 11-coordinate geometry to one Cu(7), two equivalent Cu(5), four equivalent Cu(4), one Sb(2), two equivalent Sb(1), and one As(1) atom. In the seventh Cu site, Cu(7) is bonded in a 11-coordinate geometry to one Cu(6), two equivalent Cu(1), two equivalent Cu(2), two equivalent Cu(4), one Sb(2), two equivalent Sb(1), and one As(1) atom. In the eighth Cu site, Cu(8) is bonded in a 2-coordinate geometry to one Cu(3), two equivalent Cu(1), two equivalent Cu(4), two equivalent Cu(5), two equivalent Sb(1), one As(1), and one As(2) atom. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to two equivalent Cu(1), two equivalent Cu(3), two equivalent Cu(4), two equivalent Cu(6), two equivalent Cu(7), and two equivalent Cu(8) atoms to form distorted SbCu12 cuboctahedra that share edges with four equivalent Sb(2)Cu12 cuboctahedra, edges with four equivalent As(2)Cu12 cuboctahedra, faces with two equivalent Sb(1)Cu12 cuboctahedra, and faces with four equivalent As(1)Cu12 cuboctahedra. In the second Sb site, Sb(2) is bonded to one Cu(6), one Cu(7), two equivalent Cu(1), two equivalent Cu(2), two equivalent Cu(4), and four equivalent Cu(5) atoms to form distorted SbCu12 cuboctahedra that share edges with two equivalent Sb(2)Cu12 cuboctahedra, edges with two equivalent As(2)Cu12 cuboctahedra, edges with four equivalent Sb(1)Cu12 cuboctahedra, faces with two equivalent As(2)Cu12 cuboctahedra, and faces with four equivalent As(1)Cu12 cuboctahedra. There are two inequivalent As sites. In the first As site, As(1) is bonded to one Cu(3), one Cu(6), one Cu(7), one Cu(8), two equivalent Cu(1), two equivalent Cu(2), two equivalent Cu(4), and two equivalent Cu(5) atoms to form AsCu12 cuboctahedra that share faces with four equivalent Sb(1)Cu12 cuboctahedra, faces with four equivalent Sb(2)Cu12 cuboctahedra, and faces with four equivalent As(2)Cu12 cuboctahedra. In the second As site, As(2) is bonded to one Cu(3), one Cu(8), two equivalent Cu(1), two equivalent Cu(4), two equivalent Cu(5), and four equivalent Cu(2) atoms to form distorted AsCu12 cuboctahedra that share edges with two equivalent Sb(2)Cu12 cuboctahedra, edges with two equivalent As(2)Cu12 cuboctahedra, edges with four equivalent Sb(1)Cu12 cuboctahedra, faces with two equivalent Sb(2)Cu12 cuboctahedra, and faces with four equivalent As(1)Cu12 cuboctahedra.
Cu6SbAs crystallizes in the orthorhombic Ama2 space group. There are eight inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 11-coordinate geometry to one Cu(2), one Cu(4), one Cu(5), one Cu(7), one Cu(8), two equivalent Cu(3), one Sb(1), one Sb(2), one As(1), and one As(2) atom. The Cu(1)-Cu(2) bond length is 2.71 Å. The Cu(1)-Cu(4) bond length is 2.49 Å. The Cu(1)-Cu(5) bond length is 2.80 Å. The Cu(1)-Cu(7) bond length is 2.64 Å. The Cu(1)-Cu(8) bond length is 2.82 Å. There is one shorter (2.59 Å) and one longer (2.80 Å) Cu(1)-Cu(3) bond length. The Cu(1)-Sb(1) bond length is 2.62 Å. The Cu(1)-Sb(2) bond length is 2.81 Å. The Cu(1)-As(1) bond length is 2.59 Å. The Cu(1)-As(2) bond length is 2.77 Å. In the second Cu site, Cu(2) is bonded in a 11-coordinate geometry to one Cu(1), one Cu(3), one Cu(4), one Cu(5), one Cu(7), two equivalent Cu(2), one Sb(2), one As(1), and two equivalent As(2) atoms. The Cu(2)-Cu(3) bond length is 2.72 Å. The Cu(2)-Cu(4) bond length is 2.74 Å. The Cu(2)-Cu(5) bond length is 2.59 Å. The Cu(2)-Cu(7) bond length is 2.81 Å. There is one shorter (2.56 Å) and one longer (2.63 Å) Cu(2)-Cu(2) bond length. The Cu(2)-Sb(2) bond length is 2.83 Å. The Cu(2)-As(1) bond length is 2.60 Å. There is one shorter (2.57 Å) and one longer (2.82 Å) Cu(2)-As(2) bond length. In the third Cu site, Cu(3) is bonded in a 11-coordinate geometry to one Cu(8), two equivalent Cu(2), four equivalent Cu(1), two equivalent Sb(1), one As(1), and one As(2) atom. The Cu(3)-Cu(8) bond length is 2.65 Å. Both Cu(3)-Sb(1) bond lengths are 2.84 Å. The Cu(3)-As(1) bond length is 2.59 Å. The Cu(3)-As(2) bond length is 2.55 Å. In the fourth Cu site, Cu(4) is bonded in a 11-coordinate geometry to one Cu(1), one Cu(2), one Cu(5), one Cu(7), one Cu(8), two equivalent Cu(6), one Sb(1), one Sb(2), one As(1), and one As(2) atom. The Cu(4)-Cu(5) bond length is 2.81 Å. The Cu(4)-Cu(7) bond length is 2.78 Å. The Cu(4)-Cu(8) bond length is 2.58 Å. There is one shorter (2.64 Å) and one longer (2.80 Å) Cu(4)-Cu(6) bond length. The Cu(4)-Sb(1) bond length is 2.63 Å. The Cu(4)-Sb(2) bond length is 2.81 Å. The Cu(4)-As(1) bond length is 2.60 Å. The Cu(4)-As(2) bond length is 2.77 Å. In the fifth Cu site, Cu(5) is bonded in a 11-coordinate geometry to one Cu(1), one Cu(2), one Cu(4), one Cu(6), one Cu(8), two equivalent Cu(5), two equivalent Sb(2), one As(1), and one As(2) atom. The Cu(5)-Cu(6) bond length is 2.78 Å. The Cu(5)-Cu(8) bond length is 2.71 Å. There is one shorter (2.50 Å) and one longer (2.65 Å) Cu(5)-Cu(5) bond length. There is one shorter (2.63 Å) and one longer (2.81 Å) Cu(5)-Sb(2) bond length. The Cu(5)-As(1) bond length is 2.60 Å. The Cu(5)-As(2) bond length is 2.76 Å. In the sixth Cu site, Cu(6) is bonded in a 11-coordinate geometry to one Cu(7), two equivalent Cu(5), four equivalent Cu(4), one Sb(2), two equivalent Sb(1), and one As(1) atom. The Cu(6)-Cu(7) bond length is 2.52 Å. The Cu(6)-Sb(2) bond length is 2.61 Å. Both Cu(6)-Sb(1) bond lengths are 2.80 Å. The Cu(6)-As(1) bond length is 2.59 Å. In the seventh Cu site, Cu(7) is bonded in a 11-coordinate geometry to one Cu(6), two equivalent Cu(1), two equivalent Cu(2), two equivalent Cu(4), one Sb(2), two equivalent Sb(1), and one As(1) atom. The Cu(7)-Sb(2) bond length is 2.61 Å. Both Cu(7)-Sb(1) bond lengths are 2.81 Å. The Cu(7)-As(1) bond length is 2.58 Å. In the eighth Cu site, Cu(8) is bonded in a 2-coordinate geometry to one Cu(3), two equivalent Cu(1), two equivalent Cu(4), two equivalent Cu(5), two equivalent Sb(1), one As(1), and one As(2) atom. Both Cu(8)-Sb(1) bond lengths are 2.85 Å. The Cu(8)-As(1) bond length is 2.58 Å. The Cu(8)-As(2) bond length is 2.54 Å. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to two equivalent Cu(1), two equivalent Cu(3), two equivalent Cu(4), two equivalent Cu(6), two equivalent Cu(7), and two equivalent Cu(8) atoms to form distorted SbCu12 cuboctahedra that share edges with four equivalent Sb(2)Cu12 cuboctahedra, edges with four equivalent As(2)Cu12 cuboctahedra, faces with two equivalent Sb(1)Cu12 cuboctahedra, and faces with four equivalent As(1)Cu12 cuboctahedra. In the second Sb site, Sb(2) is bonded to one Cu(6), one Cu(7), two equivalent Cu(1), two equivalent Cu(2), two equivalent Cu(4), and four equivalent Cu(5) atoms to form distorted SbCu12 cuboctahedra that share edges with two equivalent Sb(2)Cu12 cuboctahedra, edges with two equivalent As(2)Cu12 cuboctahedra, edges with four equivalent Sb(1)Cu12 cuboctahedra, faces with two equivalent As(2)Cu12 cuboctahedra, and faces with four equivalent As(1)Cu12 cuboctahedra. There are two inequivalent As sites. In the first As site, As(1) is bonded to one Cu(3), one Cu(6), one Cu(7), one Cu(8), two equivalent Cu(1), two equivalent Cu(2), two equivalent Cu(4), and two equivalent Cu(5) atoms to form AsCu12 cuboctahedra that share faces with four equivalent Sb(1)Cu12 cuboctahedra, faces with four equivalent Sb(2)Cu12 cuboctahedra, and faces with four equivalent As(2)Cu12 cuboctahedra. In the second As site, As(2) is bonded to one Cu(3), one Cu(8), two equivalent Cu(1), two equivalent Cu(4), two equivalent Cu(5), and four equivalent Cu(2) atoms to form distorted AsCu12 cuboctahedra that share edges with two equivalent Sb(2)Cu12 cuboctahedra, edges with two equivalent As(2)Cu12 cuboctahedra, edges with four equivalent Sb(1)Cu12 cuboctahedra, faces with two equivalent Sb(2)Cu12 cuboctahedra, and faces with four equivalent As(1)Cu12 cuboctahedra.