Be3Cu crystallizes in the monoclinic Cm space group. There are seven inequivalent Be sites. In the first Be site, Be(1) is bonded to one Be(5), one Be(6), two equivalent Be(7), four equivalent Be(3), one Cu(1), one Cu(3), and two equivalent Cu(2) atoms to form distorted BeBe8Cu4 cuboctahedra that share corners with two equivalent Be(6)Be6Cu6 cuboctahedra, corners with two equivalent Be(2)Be7Cu5 cuboctahedra, corners with two equivalent Be(5)Be9Cu3 cuboctahedra, corners with four equivalent Be(1)Be8Cu4 cuboctahedra, corners with eight equivalent Be(4)Be7Cu5 cuboctahedra, edges with two equivalent Be(1)Be8Cu4 cuboctahedra, edges with four equivalent Be(2)Be7Cu5 cuboctahedra, faces with three equivalent Be(6)Be6Cu6 cuboctahedra, faces with three equivalent Be(5)Be9Cu3 cuboctahedra, faces with four equivalent Be(4)Be7Cu5 cuboctahedra, and faces with eight equivalent Be(3)Be8Cu4 cuboctahedra. In the second Be site, Be(2) is bonded to one Be(5), one Be(6), one Be(7), four equivalent Be(4), one Cu(2), two equivalent Cu(1), and two equivalent Cu(3) atoms to form BeBe7Cu5 cuboctahedra that share corners with two equivalent Be(6)Be6Cu6 cuboctahedra, corners with two equivalent Be(1)Be8Cu4 cuboctahedra, corners with two equivalent Be(5)Be9Cu3 cuboctahedra, corners with four equivalent Be(2)Be7Cu5 cuboctahedra, corners with eight equivalent Be(3)Be8Cu4 cuboctahedra, edges with two equivalent Be(2)Be7Cu5 cuboctahedra, edges with four equivalent Be(1)Be8Cu4 cuboctahedra, faces with three equivalent Be(6)Be6Cu6 cuboctahedra, faces with three equivalent Be(5)Be9Cu3 cuboctahedra, faces with four equivalent Be(3)Be8Cu4 cuboctahedra, and faces with eight equivalent Be(4)Be7Cu5 cuboctahedra. In the third Be site, Be(3) is bonded to one Be(5), one Be(6), two equivalent Be(1), two equivalent Be(3), two equivalent Be(7), one Cu(1), one Cu(3), and two equivalent Cu(2) atoms to form distorted BeBe8Cu4 cuboctahedra that share corners with two equivalent Be(6)Be6Cu6 cuboctahedra, corners with two equivalent Be(5)Be9Cu3 cuboctahedra, corners with four equivalent Be(2)Be7Cu5 cuboctahedra, corners with four equivalent Be(3)Be8Cu4 cuboctahedra, corners with six equivalent Be(4)Be7Cu5 cuboctahedra, edges with two equivalent Be(3)Be8Cu4 cuboctahedra, edges with four equivalent Be(4)Be7Cu5 cuboctahedra, faces with two equivalent Be(2)Be7Cu5 cuboctahedra, faces with two equivalent Be(4)Be7Cu5 cuboctahedra, faces with three equivalent Be(6)Be6Cu6 cuboctahedra, faces with three equivalent Be(5)Be9Cu3 cuboctahedra, faces with four equivalent Be(1)Be8Cu4 cuboctahedra, and faces with four equivalent Be(3)Be8Cu4 cuboctahedra. In the fourth Be site, Be(4) is bonded to one Be(5), one Be(6), one Be(7), two equivalent Be(2), two equivalent Be(4), one Cu(2), two equivalent Cu(1), and two equivalent Cu(3) atoms to form BeBe7Cu5 cuboctahedra that share corners with two equivalent Be(6)Be6Cu6 cuboctahedra, corners with two equivalent Be(5)Be9Cu3 cuboctahedra, corners with four equivalent Be(4)Be7Cu5 cuboctahedra, corners with four equivalent Be(1)Be8Cu4 cuboctahedra, corners with six equivalent Be(3)Be8Cu4 cuboctahedra, edges with two equivalent Be(4)Be7Cu5 cuboctahedra, edges with four equivalent Be(3)Be8Cu4 cuboctahedra, faces with two equivalent Be(1)Be8Cu4 cuboctahedra, faces with two equivalent Be(3)Be8Cu4 cuboctahedra, faces with three equivalent Be(6)Be6Cu6 cuboctahedra, faces with three equivalent Be(5)Be9Cu3 cuboctahedra, faces with four equivalent Be(2)Be7Cu5 cuboctahedra, and faces with four equivalent Be(4)Be7Cu5 cuboctahedra. In the fifth Be site, Be(5) is bonded to one Be(1), one Be(2), two equivalent Be(3), two equivalent Be(4), three equivalent Be(7), and three equivalent Cu(3) atoms to form BeBe9Cu3 cuboctahedra that share corners with two equivalent Be(2)Be7Cu5 cuboctahedra, corners with two equivalent Be(1)Be8Cu4 cuboctahedra, corners with four equivalent Be(4)Be7Cu5 cuboctahedra, corners with four equivalent Be(3)Be8Cu4 cuboctahedra, corners with six equivalent Be(6)Be6Cu6 cuboctahedra, edges with six equivalent Be(5)Be9Cu3 cuboctahedra, faces with three equivalent Be(2)Be7Cu5 cuboctahedra, faces with three equivalent Be(1)Be8Cu4 cuboctahedra, faces with six equivalent Be(4)Be7Cu5 cuboctahedra, and faces with six equivalent Be(3)Be8Cu4 cuboctahedra. In the sixth Be site, Be(6) is bonded to one Be(1), one Be(2), two equivalent Be(3), two equivalent Be(4), three equivalent Cu(1), and three equivalent Cu(2) atoms to form BeBe6Cu6 cuboctahedra that share corners with two equivalent Be(2)Be7Cu5 cuboctahedra, corners with two equivalent Be(1)Be8Cu4 cuboctahedra, corners with four equivalent Be(4)Be7Cu5 cuboctahedra, corners with four equivalent Be(3)Be8Cu4 cuboctahedra, corners with six equivalent Be(5)Be9Cu3 cuboctahedra, edges with six equivalent Be(6)Be6Cu6 cuboctahedra, faces with three equivalent Be(2)Be7Cu5 cuboctahedra, faces with three equivalent Be(1)Be8Cu4 cuboctahedra, faces with six equivalent Be(4)Be7Cu5 cuboctahedra, and faces with six equivalent Be(3)Be8Cu4 cuboctahedra. In the seventh Be site, Be(7) is bonded in a 16-coordinate geometry to one Be(2), two equivalent Be(1), two equivalent Be(4), three equivalent Be(5), four equivalent Be(3), one Cu(2), and three equivalent Cu(3) atoms. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 16-coordinate geometry to one Be(1), two equivalent Be(2), two equivalent Be(3), three equivalent Be(6), four equivalent Be(4), one Cu(3), and three equivalent Cu(2) atoms. In the second Cu site, Cu(2) is bonded in a 16-coordinate geometry to one Be(2), one Be(7), two equivalent Be(1), two equivalent Be(4), three equivalent Be(6), four equivalent Be(3), and three equivalent Cu(1) atoms. In the third Cu site, Cu(3) is bonded in a 16-coordinate geometry to one Be(1), two equivalent Be(2), two equivalent Be(3), three equivalent Be(5), three equivalent Be(7), four equivalent Be(4), and one Cu(1) atom.
Be3Cu crystallizes in the monoclinic Cm space group. There are seven inequivalent Be sites. In the first Be site, Be(1) is bonded to one Be(5), one Be(6), two equivalent Be(7), four equivalent Be(3), one Cu(1), one Cu(3), and two equivalent Cu(2) atoms to form distorted BeBe8Cu4 cuboctahedra that share corners with two equivalent Be(6)Be6Cu6 cuboctahedra, corners with two equivalent Be(2)Be7Cu5 cuboctahedra, corners with two equivalent Be(5)Be9Cu3 cuboctahedra, corners with four equivalent Be(1)Be8Cu4 cuboctahedra, corners with eight equivalent Be(4)Be7Cu5 cuboctahedra, edges with two equivalent Be(1)Be8Cu4 cuboctahedra, edges with four equivalent Be(2)Be7Cu5 cuboctahedra, faces with three equivalent Be(6)Be6Cu6 cuboctahedra, faces with three equivalent Be(5)Be9Cu3 cuboctahedra, faces with four equivalent Be(4)Be7Cu5 cuboctahedra, and faces with eight equivalent Be(3)Be8Cu4 cuboctahedra. The Be(1)-Be(5) bond length is 2.08 Å. The Be(1)-Be(6) bond length is 2.10 Å. Both Be(1)-Be(7) bond lengths are 2.45 Å. There are two shorter (2.09 Å) and two longer (2.10 Å) Be(1)-Be(3) bond lengths. The Be(1)-Cu(1) bond length is 2.46 Å. The Be(1)-Cu(3) bond length is 2.41 Å. Both Be(1)-Cu(2) bond lengths are 2.43 Å. In the second Be site, Be(2) is bonded to one Be(5), one Be(6), one Be(7), four equivalent Be(4), one Cu(2), two equivalent Cu(1), and two equivalent Cu(3) atoms to form BeBe7Cu5 cuboctahedra that share corners with two equivalent Be(6)Be6Cu6 cuboctahedra, corners with two equivalent Be(1)Be8Cu4 cuboctahedra, corners with two equivalent Be(5)Be9Cu3 cuboctahedra, corners with four equivalent Be(2)Be7Cu5 cuboctahedra, corners with eight equivalent Be(3)Be8Cu4 cuboctahedra, edges with two equivalent Be(2)Be7Cu5 cuboctahedra, edges with four equivalent Be(1)Be8Cu4 cuboctahedra, faces with three equivalent Be(6)Be6Cu6 cuboctahedra, faces with three equivalent Be(5)Be9Cu3 cuboctahedra, faces with four equivalent Be(3)Be8Cu4 cuboctahedra, and faces with eight equivalent Be(4)Be7Cu5 cuboctahedra. The Be(2)-Be(5) bond length is 2.08 Å. The Be(2)-Be(6) bond length is 2.11 Å. The Be(2)-Be(7) bond length is 2.44 Å. All Be(2)-Be(4) bond lengths are 2.09 Å. The Be(2)-Cu(2) bond length is 2.52 Å. Both Be(2)-Cu(1) bond lengths are 2.46 Å. Both Be(2)-Cu(3) bond lengths are 2.47 Å. In the third Be site, Be(3) is bonded to one Be(5), one Be(6), two equivalent Be(1), two equivalent Be(3), two equivalent Be(7), one Cu(1), one Cu(3), and two equivalent Cu(2) atoms to form distorted BeBe8Cu4 cuboctahedra that share corners with two equivalent Be(6)Be6Cu6 cuboctahedra, corners with two equivalent Be(5)Be9Cu3 cuboctahedra, corners with four equivalent Be(2)Be7Cu5 cuboctahedra, corners with four equivalent Be(3)Be8Cu4 cuboctahedra, corners with six equivalent Be(4)Be7Cu5 cuboctahedra, edges with two equivalent Be(3)Be8Cu4 cuboctahedra, edges with four equivalent Be(4)Be7Cu5 cuboctahedra, faces with two equivalent Be(2)Be7Cu5 cuboctahedra, faces with two equivalent Be(4)Be7Cu5 cuboctahedra, faces with three equivalent Be(6)Be6Cu6 cuboctahedra, faces with three equivalent Be(5)Be9Cu3 cuboctahedra, faces with four equivalent Be(1)Be8Cu4 cuboctahedra, and faces with four equivalent Be(3)Be8Cu4 cuboctahedra. The Be(3)-Be(5) bond length is 2.09 Å. The Be(3)-Be(6) bond length is 2.10 Å. Both Be(3)-Be(3) bond lengths are 2.09 Å. There is one shorter (2.45 Å) and one longer (2.46 Å) Be(3)-Be(7) bond length. The Be(3)-Cu(1) bond length is 2.47 Å. The Be(3)-Cu(3) bond length is 2.41 Å. Both Be(3)-Cu(2) bond lengths are 2.43 Å. In the fourth Be site, Be(4) is bonded to one Be(5), one Be(6), one Be(7), two equivalent Be(2), two equivalent Be(4), one Cu(2), two equivalent Cu(1), and two equivalent Cu(3) atoms to form BeBe7Cu5 cuboctahedra that share corners with two equivalent Be(6)Be6Cu6 cuboctahedra, corners with two equivalent Be(5)Be9Cu3 cuboctahedra, corners with four equivalent Be(4)Be7Cu5 cuboctahedra, corners with four equivalent Be(1)Be8Cu4 cuboctahedra, corners with six equivalent Be(3)Be8Cu4 cuboctahedra, edges with two equivalent Be(4)Be7Cu5 cuboctahedra, edges with four equivalent Be(3)Be8Cu4 cuboctahedra, faces with two equivalent Be(1)Be8Cu4 cuboctahedra, faces with two equivalent Be(3)Be8Cu4 cuboctahedra, faces with three equivalent Be(6)Be6Cu6 cuboctahedra, faces with three equivalent Be(5)Be9Cu3 cuboctahedra, faces with four equivalent Be(2)Be7Cu5 cuboctahedra, and faces with four equivalent Be(4)Be7Cu5 cuboctahedra. The Be(4)-Be(5) bond length is 2.08 Å. The Be(4)-Be(6) bond length is 2.11 Å. The Be(4)-Be(7) bond length is 2.44 Å. Both Be(4)-Be(4) bond lengths are 2.09 Å. The Be(4)-Cu(2) bond length is 2.52 Å. Both Be(4)-Cu(1) bond lengths are 2.46 Å. Both Be(4)-Cu(3) bond lengths are 2.47 Å. In the fifth Be site, Be(5) is bonded to one Be(1), one Be(2), two equivalent Be(3), two equivalent Be(4), three equivalent Be(7), and three equivalent Cu(3) atoms to form BeBe9Cu3 cuboctahedra that share corners with two equivalent Be(2)Be7Cu5 cuboctahedra, corners with two equivalent Be(1)Be8Cu4 cuboctahedra, corners with four equivalent Be(4)Be7Cu5 cuboctahedra, corners with four equivalent Be(3)Be8Cu4 cuboctahedra, corners with six equivalent Be(6)Be6Cu6 cuboctahedra, edges with six equivalent Be(5)Be9Cu3 cuboctahedra, faces with three equivalent Be(2)Be7Cu5 cuboctahedra, faces with three equivalent Be(1)Be8Cu4 cuboctahedra, faces with six equivalent Be(4)Be7Cu5 cuboctahedra, and faces with six equivalent Be(3)Be8Cu4 cuboctahedra. All Be(5)-Be(7) bond lengths are 2.45 Å. All Be(5)-Cu(3) bond lengths are 2.45 Å. In the sixth Be site, Be(6) is bonded to one Be(1), one Be(2), two equivalent Be(3), two equivalent Be(4), three equivalent Cu(1), and three equivalent Cu(2) atoms to form BeBe6Cu6 cuboctahedra that share corners with two equivalent Be(2)Be7Cu5 cuboctahedra, corners with two equivalent Be(1)Be8Cu4 cuboctahedra, corners with four equivalent Be(4)Be7Cu5 cuboctahedra, corners with four equivalent Be(3)Be8Cu4 cuboctahedra, corners with six equivalent Be(5)Be9Cu3 cuboctahedra, edges with six equivalent Be(6)Be6Cu6 cuboctahedra, faces with three equivalent Be(2)Be7Cu5 cuboctahedra, faces with three equivalent Be(1)Be8Cu4 cuboctahedra, faces with six equivalent Be(4)Be7Cu5 cuboctahedra, and faces with six equivalent Be(3)Be8Cu4 cuboctahedra. All Be(6)-Cu(1) bond lengths are 2.46 Å. There is one shorter (2.46 Å) and two longer (2.47 Å) Be(6)-Cu(2) bond lengths. In the seventh Be site, Be(7) is bonded in a 16-coordinate geometry to one Be(2), two equivalent Be(1), two equivalent Be(4), three equivalent Be(5), four equivalent Be(3), one Cu(2), and three equivalent Cu(3) atoms. The Be(7)-Cu(2) bond length is 2.51 Å. All Be(7)-Cu(3) bond lengths are 2.55 Å. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 16-coordinate geometry to one Be(1), two equivalent Be(2), two equivalent Be(3), three equivalent Be(6), four equivalent Be(4), one Cu(3), and three equivalent Cu(2) atoms. The Cu(1)-Cu(3) bond length is 2.60 Å. All Cu(1)-Cu(2) bond lengths are 2.59 Å. In the second Cu site, Cu(2) is bonded in a 16-coordinate geometry to one Be(2), one Be(7), two equivalent Be(1), two equivalent Be(4), three equivalent Be(6), four equivalent Be(3), and three equivalent Cu(1) atoms. In the third Cu site, Cu(3) is bonded in a 16-coordinate geometry to one Be(1), two equivalent Be(2), two equivalent Be(3), three equivalent Be(5), three equivalent Be(7), four equivalent Be(4), and one Cu(1) atom.