UCu5Sn crystallizes in the hexagonal P6_3/mmc space group. There are three inequivalent U sites. In the first U site, U(1) is bonded in a distorted hexagonal planar geometry to three equivalent Cu(1), three equivalent Cu(4), twelve equivalent Cu(2), and two equivalent Sn(1) atoms. In the second U site, U(1) is bonded in a distorted hexagonal planar geometry to three equivalent Cu(1), three equivalent Cu(4), twelve equivalent Cu(2), and two equivalent Sn(1) atoms. In the third U site, U(2) is bonded in a 18-coordinate geometry to six equivalent Cu(2), six equivalent Cu(3), and six equivalent Sn(1) atoms. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to three equivalent U(1), three equivalent Cu(4), and six equivalent Cu(2) atoms to form distorted CuU3Cu9 cuboctahedra that share corners with three equivalent Cu(4)U3Cu9 cuboctahedra, corners with twelve equivalent Cu(2)U3Cu7Sn2 cuboctahedra, edges with six equivalent Cu(1)U3Cu9 cuboctahedra, faces with three equivalent Cu(4)U3Cu9 cuboctahedra, and faces with eighteen equivalent Cu(2)U3Cu7Sn2 cuboctahedra. In the second Cu site, Cu(2) is bonded to one U(2), two equivalent U(1), one Cu(1), one Cu(3), one Cu(4), four equivalent Cu(2), and two equivalent Sn(1) atoms to form CuU3Cu7Sn2 cuboctahedra that share corners with two equivalent Cu(1)U3Cu9 cuboctahedra, corners with two equivalent Cu(4)U3Cu9 cuboctahedra, corners with thirteen equivalent Cu(2)U3Cu7Sn2 cuboctahedra, edges with six equivalent Cu(2)U3Cu7Sn2 cuboctahedra, faces with three equivalent Cu(1)U3Cu9 cuboctahedra, faces with three equivalent Cu(4)U3Cu9 cuboctahedra, and faces with nine equivalent Cu(2)U3Cu7Sn2 cuboctahedra. In the third Cu site, Cu(3) is bonded in a 10-coordinate geometry to three equivalent U(2), three equivalent Cu(2), and four equivalent Sn(1) atoms. In the fourth Cu site, Cu(4) is bonded to three equivalent U(1), three equivalent Cu(1), and six equivalent Cu(2) atoms to form distorted CuU3Cu9 cuboctahedra that share corners with three equivalent Cu(1)U3Cu9 cuboctahedra, corners with twelve equivalent Cu(2)U3Cu7Sn2 cuboctahedra, edges with six equivalent Cu(4)U3Cu9 cuboctahedra, faces with three equivalent Cu(1)U3Cu9 cuboctahedra, and faces with eighteen equivalent Cu(2)U3Cu7Sn2 cuboctahedra. Sn(1) is bonded in a 14-coordinate geometry to one U(1), three equivalent U(2), four equivalent Cu(3), and six equivalent Cu(2) atoms.
UCu5Sn crystallizes in the hexagonal P6_3/mmc space group. There are three inequivalent U sites. In the first U site, U(1) is bonded in a distorted hexagonal planar geometry to three equivalent Cu(1), three equivalent Cu(4), twelve equivalent Cu(2), and two equivalent Sn(1) atoms. All U(1)-Cu(1) bond lengths are 2.87 Å. All U(1)-Cu(4) bond lengths are 2.87 Å. All U(1)-Cu(2) bond lengths are 3.25 Å. Both U(1)-Sn(1) bond lengths are 3.36 Å. In the second U site, U(1) is bonded in a distorted hexagonal planar geometry to three equivalent Cu(1), three equivalent Cu(4), twelve equivalent Cu(2), and two equivalent Sn(1) atoms. All U(1)-Cu(1) bond lengths are 2.87 Å. All U(1)-Cu(4) bond lengths are 2.87 Å. All U(1)-Cu(2) bond lengths are 3.25 Å. Both U(1)-Sn(1) bond lengths are 3.36 Å. In the third U site, U(2) is bonded in a 18-coordinate geometry to six equivalent Cu(2), six equivalent Cu(3), and six equivalent Sn(1) atoms. All U(2)-Cu(2) bond lengths are 3.32 Å. All U(2)-Cu(3) bond lengths are 3.01 Å. All U(2)-Sn(1) bond lengths are 3.35 Å. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to three equivalent U(1), three equivalent Cu(4), and six equivalent Cu(2) atoms to form distorted CuU3Cu9 cuboctahedra that share corners with three equivalent Cu(4)U3Cu9 cuboctahedra, corners with twelve equivalent Cu(2)U3Cu7Sn2 cuboctahedra, edges with six equivalent Cu(1)U3Cu9 cuboctahedra, faces with three equivalent Cu(4)U3Cu9 cuboctahedra, and faces with eighteen equivalent Cu(2)U3Cu7Sn2 cuboctahedra. All Cu(1)-Cu(4) bond lengths are 2.87 Å. All Cu(1)-Cu(2) bond lengths are 2.53 Å. In the second Cu site, Cu(2) is bonded to one U(2), two equivalent U(1), one Cu(1), one Cu(3), one Cu(4), four equivalent Cu(2), and two equivalent Sn(1) atoms to form CuU3Cu7Sn2 cuboctahedra that share corners with two equivalent Cu(1)U3Cu9 cuboctahedra, corners with two equivalent Cu(4)U3Cu9 cuboctahedra, corners with thirteen equivalent Cu(2)U3Cu7Sn2 cuboctahedra, edges with six equivalent Cu(2)U3Cu7Sn2 cuboctahedra, faces with three equivalent Cu(1)U3Cu9 cuboctahedra, faces with three equivalent Cu(4)U3Cu9 cuboctahedra, and faces with nine equivalent Cu(2)U3Cu7Sn2 cuboctahedra. The Cu(2)-Cu(3) bond length is 2.55 Å. The Cu(2)-Cu(4) bond length is 2.54 Å. There are two shorter (2.48 Å) and two longer (2.50 Å) Cu(2)-Cu(2) bond lengths. Both Cu(2)-Sn(1) bond lengths are 2.80 Å. In the third Cu site, Cu(3) is bonded in a 10-coordinate geometry to three equivalent U(2), three equivalent Cu(2), and four equivalent Sn(1) atoms. There is one shorter (2.60 Å) and three longer (2.99 Å) Cu(3)-Sn(1) bond lengths. In the fourth Cu site, Cu(4) is bonded to three equivalent U(1), three equivalent Cu(1), and six equivalent Cu(2) atoms to form distorted CuU3Cu9 cuboctahedra that share corners with three equivalent Cu(1)U3Cu9 cuboctahedra, corners with twelve equivalent Cu(2)U3Cu7Sn2 cuboctahedra, edges with six equivalent Cu(4)U3Cu9 cuboctahedra, faces with three equivalent Cu(1)U3Cu9 cuboctahedra, and faces with eighteen equivalent Cu(2)U3Cu7Sn2 cuboctahedra. Sn(1) is bonded in a 14-coordinate geometry to one U(1), three equivalent U(2), four equivalent Cu(3), and six equivalent Cu(2) atoms.