ThCu6 is Bergman Structure: Mg32(Al,Zn)49 Bergman-derived structured and crystallizes in the orthorhombic Pnma space group. Th(1) is bonded in a 19-coordinate geometry to three equivalent Cu(3), three equivalent Cu(4), three equivalent Cu(5), four equivalent Cu(2), and six equivalent Cu(1) atoms. There are five inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to three equivalent Th(1), one Cu(4), two equivalent Cu(1), two equivalent Cu(2), two equivalent Cu(3), and two equivalent Cu(5) atoms to form a mixture of distorted edge, face, and corner-sharing CuTh3Cu9 cuboctahedra. In the second Cu site, Cu(2) is bonded in a 14-coordinate geometry to four equivalent Th(1), one Cu(5), two equivalent Cu(3), three equivalent Cu(4), and four equivalent Cu(1) atoms. In the third Cu site, Cu(3) is bonded to three equivalent Th(1), one Cu(5), two equivalent Cu(2), two equivalent Cu(4), and four equivalent Cu(1) atoms to form a mixture of edge, face, and corner-sharing CuTh3Cu9 cuboctahedra. In the fourth Cu site, Cu(4) is bonded in a 11-coordinate geometry to three equivalent Th(1), one Cu(5), two equivalent Cu(1), two equivalent Cu(3), and three equivalent Cu(2) atoms. In the fifth Cu site, Cu(5) is bonded in a 12-coordinate geometry to three equivalent Th(1), one Cu(2), one Cu(3), one Cu(4), two equivalent Cu(5), and four equivalent Cu(1) atoms.
ThCu6 is Bergman Structure: Mg32(Al,Zn)49 Bergman-derived structured and crystallizes in the orthorhombic Pnma space group. Th(1) is bonded in a 19-coordinate geometry to three equivalent Cu(3), three equivalent Cu(4), three equivalent Cu(5), four equivalent Cu(2), and six equivalent Cu(1) atoms. There is one shorter (3.16 Å) and two longer (3.22 Å) Th(1)-Cu(3) bond lengths. There are two shorter (2.92 Å) and one longer (2.93 Å) Th(1)-Cu(4) bond length. There are two shorter (2.88 Å) and one longer (3.00 Å) Th(1)-Cu(5) bond length. There are a spread of Th(1)-Cu(2) bond distances ranging from 3.10-3.35 Å. There are a spread of Th(1)-Cu(1) bond distances ranging from 3.09-3.28 Å. There are five inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to three equivalent Th(1), one Cu(4), two equivalent Cu(1), two equivalent Cu(2), two equivalent Cu(3), and two equivalent Cu(5) atoms to form a mixture of distorted edge, face, and corner-sharing CuTh3Cu9 cuboctahedra. The Cu(1)-Cu(4) bond length is 2.47 Å. There is one shorter (2.48 Å) and one longer (2.56 Å) Cu(1)-Cu(1) bond length. There is one shorter (2.68 Å) and one longer (2.70 Å) Cu(1)-Cu(2) bond length. There is one shorter (2.45 Å) and one longer (2.47 Å) Cu(1)-Cu(3) bond length. There is one shorter (2.43 Å) and one longer (2.54 Å) Cu(1)-Cu(5) bond length. In the second Cu site, Cu(2) is bonded in a 14-coordinate geometry to four equivalent Th(1), one Cu(5), two equivalent Cu(3), three equivalent Cu(4), and four equivalent Cu(1) atoms. The Cu(2)-Cu(5) bond length is 2.58 Å. Both Cu(2)-Cu(3) bond lengths are 2.74 Å. There is one shorter (2.51 Å) and two longer (3.05 Å) Cu(2)-Cu(4) bond lengths. In the third Cu site, Cu(3) is bonded to three equivalent Th(1), one Cu(5), two equivalent Cu(2), two equivalent Cu(4), and four equivalent Cu(1) atoms to form a mixture of edge, face, and corner-sharing CuTh3Cu9 cuboctahedra. The Cu(3)-Cu(5) bond length is 2.51 Å. There is one shorter (2.44 Å) and one longer (2.59 Å) Cu(3)-Cu(4) bond length. In the fourth Cu site, Cu(4) is bonded in a 11-coordinate geometry to three equivalent Th(1), one Cu(5), two equivalent Cu(1), two equivalent Cu(3), and three equivalent Cu(2) atoms. The Cu(4)-Cu(5) bond length is 2.85 Å. In the fifth Cu site, Cu(5) is bonded in a 12-coordinate geometry to three equivalent Th(1), one Cu(2), one Cu(3), one Cu(4), two equivalent Cu(5), and four equivalent Cu(1) atoms. Both Cu(5)-Cu(5) bond lengths are 3.00 Å.