CeCu9Sn4 is Bergman Structure: Mg32(Al,Zn)49 Bergman-like structured and crystallizes in the tetragonal I4/mcm space group. Ce(1) is bonded in a 24-coordinate geometry to eight equivalent Cu(1), eight equivalent Cu(3), and eight equivalent Sn(1) atoms. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 13-coordinate geometry to two equivalent Ce(1), one Cu(2), two equivalent Cu(1), four equivalent Cu(3), and four equivalent Sn(1) atoms. In the second Cu site, Cu(2) is bonded in a distorted cuboctahedral geometry to four equivalent Cu(1), four equivalent Cu(3), and four equivalent Sn(1) atoms. In the third Cu site, Cu(3) is bonded in a 12-coordinate geometry to two equivalent Ce(1), one Cu(2), three equivalent Cu(3), four equivalent Cu(1), and two equivalent Sn(1) atoms. Sn(1) is bonded in a 12-coordinate geometry to two equivalent Ce(1), one Cu(2), two equivalent Cu(3), four equivalent Cu(1), and three equivalent Sn(1) atoms.
CeCu9Sn4 is Bergman Structure: Mg32(Al,Zn)49 Bergman-like structured and crystallizes in the tetragonal I4/mcm space group. Ce(1) is bonded in a 24-coordinate geometry to eight equivalent Cu(1), eight equivalent Cu(3), and eight equivalent Sn(1) atoms. All Ce(1)-Cu(1) bond lengths are 3.57 Å. All Ce(1)-Cu(3) bond lengths are 3.81 Å. All Ce(1)-Sn(1) bond lengths are 3.57 Å. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 13-coordinate geometry to two equivalent Ce(1), one Cu(2), two equivalent Cu(1), four equivalent Cu(3), and four equivalent Sn(1) atoms. The Cu(1)-Cu(2) bond length is 2.93 Å. There is one shorter (3.08 Å) and one longer (3.22 Å) Cu(1)-Cu(1) bond length. There are a spread of Cu(1)-Cu(3) bond distances ranging from 2.40-2.85 Å. There are two shorter (2.81 Å) and two longer (2.91 Å) Cu(1)-Sn(1) bond lengths. In the second Cu site, Cu(2) is bonded in a distorted cuboctahedral geometry to four equivalent Cu(1), four equivalent Cu(3), and four equivalent Sn(1) atoms. All Cu(2)-Cu(3) bond lengths are 2.52 Å. All Cu(2)-Sn(1) bond lengths are 2.61 Å. In the third Cu site, Cu(3) is bonded in a 12-coordinate geometry to two equivalent Ce(1), one Cu(2), three equivalent Cu(3), four equivalent Cu(1), and two equivalent Sn(1) atoms. There are two shorter (2.55 Å) and one longer (2.75 Å) Cu(3)-Cu(3) bond length. Both Cu(3)-Sn(1) bond lengths are 2.71 Å. Sn(1) is bonded in a 12-coordinate geometry to two equivalent Ce(1), one Cu(2), two equivalent Cu(3), four equivalent Cu(1), and three equivalent Sn(1) atoms. There are two shorter (2.86 Å) and one longer (3.05 Å) Sn(1)-Sn(1) bond length.