CoZrRe is Hexagonal Laves-derived structured and crystallizes in the orthorhombic Amm2 space group. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 16-coordinate geometry to one Zr(1), three equivalent Zr(2), one Re(3), two equivalent Re(1), two equivalent Re(2), three equivalent Co(1), and four equivalent Co(2) atoms. In the second Zr site, Zr(2) is bonded in a 12-coordinate geometry to three equivalent Zr(1), one Re(1), two equivalent Re(3), four equivalent Re(2), two equivalent Co(2), and three equivalent Co(1) atoms. There are three inequivalent Re sites. In the first Re site, Re(1) is bonded to two equivalent Zr(2), four equivalent Zr(1), two equivalent Co(1), and four equivalent Co(2) atoms to form ReZr6Co6 cuboctahedra that share corners with two equivalent Re(3)Zr6Co2Re4 cuboctahedra, corners with four equivalent Re(1)Zr6Co6 cuboctahedra, corners with four equivalent Co(1)Zr6Co2Re4 cuboctahedra, corners with eight equivalent Re(2)Zr6Co2Re4 cuboctahedra, edges with two equivalent Re(1)Zr6Co6 cuboctahedra, edges with four equivalent Re(3)Zr6Co2Re4 cuboctahedra, faces with four equivalent Re(2)Zr6Co2Re4 cuboctahedra, faces with six equivalent Co(1)Zr6Co2Re4 cuboctahedra, and faces with eight equivalent Co(2)Zr6Co4Re2 cuboctahedra. In the second Re site, Re(2) is bonded to two equivalent Zr(1), four equivalent Zr(2), two equivalent Re(2), two equivalent Re(3), and two equivalent Co(1) atoms to form ReZr6Co2Re4 cuboctahedra that share corners with four equivalent Re(2)Zr6Co2Re4 cuboctahedra, corners with four equivalent Re(1)Zr6Co6 cuboctahedra, corners with four equivalent Co(1)Zr6Co2Re4 cuboctahedra, corners with six equivalent Co(2)Zr6Co4Re2 cuboctahedra, edges with two equivalent Re(2)Zr6Co2Re4 cuboctahedra, edges with four equivalent Co(2)Zr6Co4Re2 cuboctahedra, faces with two equivalent Re(1)Zr6Co6 cuboctahedra, faces with two equivalent Co(2)Zr6Co4Re2 cuboctahedra, faces with four equivalent Re(2)Zr6Co2Re4 cuboctahedra, faces with four equivalent Re(3)Zr6Co2Re4 cuboctahedra, and faces with six equivalent Co(1)Zr6Co2Re4 cuboctahedra. In the third Re site, Re(3) is bonded to two equivalent Zr(1), four equivalent Zr(2), four equivalent Re(2), and two equivalent Co(1) atoms to form ReZr6Co2Re4 cuboctahedra that share corners with two equivalent Re(1)Zr6Co6 cuboctahedra, corners with four equivalent Re(3)Zr6Co2Re4 cuboctahedra, corners with four equivalent Co(1)Zr6Co2Re4 cuboctahedra, corners with eight equivalent Co(2)Zr6Co4Re2 cuboctahedra, edges with two equivalent Re(3)Zr6Co2Re4 cuboctahedra, edges with four equivalent Re(1)Zr6Co6 cuboctahedra, faces with four equivalent Co(2)Zr6Co4Re2 cuboctahedra, faces with six equivalent Co(1)Zr6Co2Re4 cuboctahedra, and faces with eight equivalent Re(2)Zr6Co2Re4 cuboctahedra. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to three equivalent Zr(1), three equivalent Zr(2), one Re(1), one Re(3), two equivalent Re(2), and two equivalent Co(2) atoms to form CoZr6Co2Re4 cuboctahedra that share corners with two equivalent Re(3)Zr6Co2Re4 cuboctahedra, corners with two equivalent Re(1)Zr6Co6 cuboctahedra, corners with four equivalent Re(2)Zr6Co2Re4 cuboctahedra, corners with four equivalent Co(2)Zr6Co4Re2 cuboctahedra, edges with six equivalent Co(1)Zr6Co2Re4 cuboctahedra, faces with two equivalent Co(1)Zr6Co2Re4 cuboctahedra, faces with three equivalent Re(3)Zr6Co2Re4 cuboctahedra, faces with three equivalent Re(1)Zr6Co6 cuboctahedra, faces with six equivalent Re(2)Zr6Co2Re4 cuboctahedra, and faces with six equivalent Co(2)Zr6Co4Re2 cuboctahedra. In the second Co site, Co(2) is bonded to two equivalent Zr(2), four equivalent Zr(1), two equivalent Re(1), two equivalent Co(1), and two equivalent Co(2) atoms to form CoZr6Co4Re2 cuboctahedra that share corners with four equivalent Re(3)Zr6Co2Re4 cuboctahedra, corners with four equivalent Co(1)Zr6Co2Re4 cuboctahedra, corners with four equivalent Co(2)Zr6Co4Re2 cuboctahedra, corners with six equivalent Re(2)Zr6Co2Re4 cuboctahedra, edges with two equivalent Co(2)Zr6Co4Re2 cuboctahedra, edges with four equivalent Re(2)Zr6Co2Re4 cuboctahedra, faces with two equivalent Re(2)Zr6Co2Re4 cuboctahedra, faces with two equivalent Re(3)Zr6Co2Re4 cuboctahedra, faces with four equivalent Re(1)Zr6Co6 cuboctahedra, faces with four equivalent Co(2)Zr6Co4Re2 cuboctahedra, and faces with six equivalent Co(1)Zr6Co2Re4 cuboctahedra.
CoZrRe is Hexagonal Laves-derived structured and crystallizes in the orthorhombic Amm2 space group. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 16-coordinate geometry to one Zr(1), three equivalent Zr(2), one Re(3), two equivalent Re(1), two equivalent Re(2), three equivalent Co(1), and four equivalent Co(2) atoms. The Zr(1)-Zr(1) bond length is 3.00 Å. There are two shorter (3.14 Å) and one longer (3.15 Å) Zr(1)-Zr(2) bond length. The Zr(1)-Re(3) bond length is 3.06 Å. Both Zr(1)-Re(1) bond lengths are 2.97 Å. Both Zr(1)-Re(2) bond lengths are 3.08 Å. There is one shorter (2.96 Å) and two longer (3.01 Å) Zr(1)-Co(1) bond lengths. There are two shorter (2.92 Å) and two longer (3.01 Å) Zr(1)-Co(2) bond lengths. In the second Zr site, Zr(2) is bonded in a 12-coordinate geometry to three equivalent Zr(1), one Re(1), two equivalent Re(3), four equivalent Re(2), two equivalent Co(2), and three equivalent Co(1) atoms. The Zr(2)-Re(1) bond length is 2.98 Å. Both Zr(2)-Re(3) bond lengths are 3.03 Å. There are two shorter (3.01 Å) and two longer (3.03 Å) Zr(2)-Re(2) bond lengths. Both Zr(2)-Co(2) bond lengths are 2.95 Å. There are two shorter (3.00 Å) and one longer (3.03 Å) Zr(2)-Co(1) bond length. There are three inequivalent Re sites. In the first Re site, Re(1) is bonded to two equivalent Zr(2), four equivalent Zr(1), two equivalent Co(1), and four equivalent Co(2) atoms to form ReZr6Co6 cuboctahedra that share corners with two equivalent Re(3)Zr6Co2Re4 cuboctahedra, corners with four equivalent Re(1)Zr6Co6 cuboctahedra, corners with four equivalent Co(1)Zr6Co2Re4 cuboctahedra, corners with eight equivalent Re(2)Zr6Co2Re4 cuboctahedra, edges with two equivalent Re(1)Zr6Co6 cuboctahedra, edges with four equivalent Re(3)Zr6Co2Re4 cuboctahedra, faces with four equivalent Re(2)Zr6Co2Re4 cuboctahedra, faces with six equivalent Co(1)Zr6Co2Re4 cuboctahedra, and faces with eight equivalent Co(2)Zr6Co4Re2 cuboctahedra. Both Re(1)-Co(1) bond lengths are 2.50 Å. There are two shorter (2.50 Å) and two longer (2.61 Å) Re(1)-Co(2) bond lengths. In the second Re site, Re(2) is bonded to two equivalent Zr(1), four equivalent Zr(2), two equivalent Re(2), two equivalent Re(3), and two equivalent Co(1) atoms to form ReZr6Co2Re4 cuboctahedra that share corners with four equivalent Re(2)Zr6Co2Re4 cuboctahedra, corners with four equivalent Re(1)Zr6Co6 cuboctahedra, corners with four equivalent Co(1)Zr6Co2Re4 cuboctahedra, corners with six equivalent Co(2)Zr6Co4Re2 cuboctahedra, edges with two equivalent Re(2)Zr6Co2Re4 cuboctahedra, edges with four equivalent Co(2)Zr6Co4Re2 cuboctahedra, faces with two equivalent Re(1)Zr6Co6 cuboctahedra, faces with two equivalent Co(2)Zr6Co4Re2 cuboctahedra, faces with four equivalent Re(2)Zr6Co2Re4 cuboctahedra, faces with four equivalent Re(3)Zr6Co2Re4 cuboctahedra, and faces with six equivalent Co(1)Zr6Co2Re4 cuboctahedra. There is one shorter (2.55 Å) and one longer (2.57 Å) Re(2)-Re(2) bond length. There is one shorter (2.53 Å) and one longer (2.58 Å) Re(2)-Re(3) bond length. Both Re(2)-Co(1) bond lengths are 2.65 Å. In the third Re site, Re(3) is bonded to two equivalent Zr(1), four equivalent Zr(2), four equivalent Re(2), and two equivalent Co(1) atoms to form ReZr6Co2Re4 cuboctahedra that share corners with two equivalent Re(1)Zr6Co6 cuboctahedra, corners with four equivalent Re(3)Zr6Co2Re4 cuboctahedra, corners with four equivalent Co(1)Zr6Co2Re4 cuboctahedra, corners with eight equivalent Co(2)Zr6Co4Re2 cuboctahedra, edges with two equivalent Re(3)Zr6Co2Re4 cuboctahedra, edges with four equivalent Re(1)Zr6Co6 cuboctahedra, faces with four equivalent Co(2)Zr6Co4Re2 cuboctahedra, faces with six equivalent Co(1)Zr6Co2Re4 cuboctahedra, and faces with eight equivalent Re(2)Zr6Co2Re4 cuboctahedra. Both Re(3)-Co(1) bond lengths are 2.65 Å. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to three equivalent Zr(1), three equivalent Zr(2), one Re(1), one Re(3), two equivalent Re(2), and two equivalent Co(2) atoms to form CoZr6Co2Re4 cuboctahedra that share corners with two equivalent Re(3)Zr6Co2Re4 cuboctahedra, corners with two equivalent Re(1)Zr6Co6 cuboctahedra, corners with four equivalent Re(2)Zr6Co2Re4 cuboctahedra, corners with four equivalent Co(2)Zr6Co4Re2 cuboctahedra, edges with six equivalent Co(1)Zr6Co2Re4 cuboctahedra, faces with two equivalent Co(1)Zr6Co2Re4 cuboctahedra, faces with three equivalent Re(3)Zr6Co2Re4 cuboctahedra, faces with three equivalent Re(1)Zr6Co6 cuboctahedra, faces with six equivalent Re(2)Zr6Co2Re4 cuboctahedra, and faces with six equivalent Co(2)Zr6Co4Re2 cuboctahedra. Both Co(1)-Co(2) bond lengths are 2.51 Å. In the second Co site, Co(2) is bonded to two equivalent Zr(2), four equivalent Zr(1), two equivalent Re(1), two equivalent Co(1), and two equivalent Co(2) atoms to form CoZr6Co4Re2 cuboctahedra that share corners with four equivalent Re(3)Zr6Co2Re4 cuboctahedra, corners with four equivalent Co(1)Zr6Co2Re4 cuboctahedra, corners with four equivalent Co(2)Zr6Co4Re2 cuboctahedra, corners with six equivalent Re(2)Zr6Co2Re4 cuboctahedra, edges with two equivalent Co(2)Zr6Co4Re2 cuboctahedra, edges with four equivalent Re(2)Zr6Co2Re4 cuboctahedra, faces with two equivalent Re(2)Zr6Co2Re4 cuboctahedra, faces with two equivalent Re(3)Zr6Co2Re4 cuboctahedra, faces with four equivalent Re(1)Zr6Co6 cuboctahedra, faces with four equivalent Co(2)Zr6Co4Re2 cuboctahedra, and faces with six equivalent Co(1)Zr6Co2Re4 cuboctahedra. There is one shorter (2.53 Å) and one longer (2.59 Å) Co(2)-Co(2) bond length.