Be4MoCr is Hexagonal Laves-derived structured and crystallizes in the trigonal P-3m1 space group. There are three inequivalent Be sites. In the first Be site, Be(1) is bonded to six equivalent Be(3) and six equivalent Cr(1) atoms to form BeBe6Cr6 cuboctahedra that share corners with twelve equivalent Be(3)Be6Cr3Mo3 cuboctahedra, edges with six equivalent Be(1)Be6Cr6 cuboctahedra, faces with two equivalent Be(2)Be6Mo6 cuboctahedra, and faces with eighteen equivalent Be(3)Be6Cr3Mo3 cuboctahedra. In the second Be site, Be(2) is bonded to six equivalent Be(3) and six equivalent Mo(1) atoms to form BeBe6Mo6 cuboctahedra that share corners with twelve equivalent Be(3)Be6Cr3Mo3 cuboctahedra, edges with six equivalent Be(2)Be6Mo6 cuboctahedra, faces with two equivalent Be(1)Be6Cr6 cuboctahedra, and faces with eighteen equivalent Be(3)Be6Cr3Mo3 cuboctahedra. In the third Be site, Be(3) is bonded to one Be(1), one Be(2), four equivalent Be(3), three equivalent Mo(1), and three equivalent Cr(1) atoms to form BeBe6Cr3Mo3 cuboctahedra that share corners with two equivalent Be(1)Be6Cr6 cuboctahedra, corners with two equivalent Be(2)Be6Mo6 cuboctahedra, corners with fourteen equivalent Be(3)Be6Cr3Mo3 cuboctahedra, edges with six equivalent Be(3)Be6Cr3Mo3 cuboctahedra, faces with three equivalent Be(1)Be6Cr6 cuboctahedra, faces with three equivalent Be(2)Be6Mo6 cuboctahedra, and faces with twelve equivalent Be(3)Be6Cr3Mo3 cuboctahedra. Mo(1) is bonded in a 16-coordinate geometry to three equivalent Be(2), nine equivalent Be(3), three equivalent Mo(1), and one Cr(1) atom. Cr(1) is bonded in a 16-coordinate geometry to three equivalent Be(1), nine equivalent Be(3), one Mo(1), and three equivalent Cr(1) atoms.
Be4MoCr is Hexagonal Laves-derived structured and crystallizes in the trigonal P-3m1 space group. There are three inequivalent Be sites. In the first Be site, Be(1) is bonded to six equivalent Be(3) and six equivalent Cr(1) atoms to form BeBe6Cr6 cuboctahedra that share corners with twelve equivalent Be(3)Be6Cr3Mo3 cuboctahedra, edges with six equivalent Be(1)Be6Cr6 cuboctahedra, faces with two equivalent Be(2)Be6Mo6 cuboctahedra, and faces with eighteen equivalent Be(3)Be6Cr3Mo3 cuboctahedra. All Be(1)-Be(3) bond lengths are 2.14 Å. All Be(1)-Cr(1) bond lengths are 2.54 Å. In the second Be site, Be(2) is bonded to six equivalent Be(3) and six equivalent Mo(1) atoms to form BeBe6Mo6 cuboctahedra that share corners with twelve equivalent Be(3)Be6Cr3Mo3 cuboctahedra, edges with six equivalent Be(2)Be6Mo6 cuboctahedra, faces with two equivalent Be(1)Be6Cr6 cuboctahedra, and faces with eighteen equivalent Be(3)Be6Cr3Mo3 cuboctahedra. All Be(2)-Be(3) bond lengths are 2.23 Å. All Be(2)-Mo(1) bond lengths are 2.55 Å. In the third Be site, Be(3) is bonded to one Be(1), one Be(2), four equivalent Be(3), three equivalent Mo(1), and three equivalent Cr(1) atoms to form BeBe6Cr3Mo3 cuboctahedra that share corners with two equivalent Be(1)Be6Cr6 cuboctahedra, corners with two equivalent Be(2)Be6Mo6 cuboctahedra, corners with fourteen equivalent Be(3)Be6Cr3Mo3 cuboctahedra, edges with six equivalent Be(3)Be6Cr3Mo3 cuboctahedra, faces with three equivalent Be(1)Be6Cr6 cuboctahedra, faces with three equivalent Be(2)Be6Mo6 cuboctahedra, and faces with twelve equivalent Be(3)Be6Cr3Mo3 cuboctahedra. There are two shorter (2.13 Å) and two longer (2.22 Å) Be(3)-Be(3) bond lengths. There are two shorter (2.57 Å) and one longer (2.61 Å) Be(3)-Mo(1) bond length. There is one shorter (2.47 Å) and two longer (2.53 Å) Be(3)-Cr(1) bond lengths. Mo(1) is bonded in a 16-coordinate geometry to three equivalent Be(2), nine equivalent Be(3), three equivalent Mo(1), and one Cr(1) atom. All Mo(1)-Mo(1) bond lengths are 2.68 Å. The Mo(1)-Cr(1) bond length is 2.66 Å. Cr(1) is bonded in a 16-coordinate geometry to three equivalent Be(1), nine equivalent Be(3), one Mo(1), and three equivalent Cr(1) atoms. All Cr(1)-Cr(1) bond lengths are 2.65 Å.