ZrCrCo crystallizes in the orthorhombic Amm2 space group. There are seven inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 16-coordinate geometry to one Zr(1); three Zr(2,2); two equivalent Cr(1); three equivalent Cr(2); one Co(3); two equivalent Co(1); and four equivalent Co(2) atoms. In the second Zr site, Zr(2) is bonded in a 16-coordinate geometry to one Zr(2); three Zr(1,1); three equivalent Cr(2); four equivalent Cr(1); one Co(1); two equivalent Co(2); and two equivalent Co(3) atoms. In the third Zr site, Zr(2) is bonded in a 16-coordinate geometry to one Zr(2); three Zr(1,1); three equivalent Cr(2); four equivalent Cr(1); one Co(1); two equivalent Co(2); and two equivalent Co(3) atoms. In the fourth Zr site, Zr(1) is bonded in a 16-coordinate geometry to one Zr(1); three Zr(2,2); two equivalent Cr(1); three equivalent Cr(2); one Co(3); two equivalent Co(1); and four equivalent Co(2) atoms. In the fifth Zr site, Zr(2) is bonded in a 16-coordinate geometry to one Zr(2); three Zr(1,1); three equivalent Cr(2); four equivalent Cr(1); one Co(1); two equivalent Co(2); and two equivalent Co(3) atoms. In the sixth Zr site, Zr(2) is bonded in a 16-coordinate geometry to one Zr(2); three Zr(1,1); three equivalent Cr(2); four equivalent Cr(1); one Co(1); two equivalent Co(2); and two equivalent Co(3) atoms. In the seventh Zr site, Zr(1) is bonded in a 16-coordinate geometry to one Zr(1); three Zr(2,2); two equivalent Cr(1); three equivalent Cr(2); one Co(3); two equivalent Co(1); and four equivalent Co(2) atoms. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to two Zr(1,1); four Zr(2,2,2,2); two equivalent Cr(1); two equivalent Cr(2); and two equivalent Co(3) atoms to form distorted CrZr6Cr4Co2 cuboctahedra that share corners with four equivalent Cr(2)Zr6Cr2Co4 cuboctahedra, corners with four equivalent Cr(1)Zr6Cr4Co2 cuboctahedra, corners with four equivalent Co(1)Zr6Cr2Co4 cuboctahedra, corners with six equivalent Co(2)Zr6Cr2Co4 cuboctahedra, edges with two equivalent Cr(1)Zr6Cr4Co2 cuboctahedra, edges with four equivalent Co(2)Zr6Cr2Co4 cuboctahedra, faces with two equivalent Co(1)Zr6Cr2Co4 cuboctahedra, faces with two equivalent Co(2)Zr6Cr2Co4 cuboctahedra, faces with four equivalent Cr(1)Zr6Cr4Co2 cuboctahedra, faces with four equivalent Co(3)Zr6Cr6 cuboctahedra, and faces with six equivalent Cr(2)Zr6Cr2Co4 cuboctahedra. In the second Cr site, Cr(2) is bonded to three Zr(1,1); three Zr(2,2); two equivalent Cr(1); one Co(1); one Co(3); and two equivalent Co(2) atoms to form distorted CrZr6Cr2Co4 cuboctahedra that share corners with two equivalent Co(1)Zr6Cr2Co4 cuboctahedra, corners with two equivalent Co(3)Zr6Cr6 cuboctahedra, corners with four equivalent Cr(1)Zr6Cr4Co2 cuboctahedra, corners with four equivalent Co(2)Zr6Cr2Co4 cuboctahedra, edges with six equivalent Cr(2)Zr6Cr2Co4 cuboctahedra, faces with two equivalent Cr(2)Zr6Cr2Co4 cuboctahedra, faces with three equivalent Co(1)Zr6Cr2Co4 cuboctahedra, faces with three equivalent Co(3)Zr6Cr6 cuboctahedra, faces with six equivalent Cr(1)Zr6Cr4Co2 cuboctahedra, and faces with six equivalent Co(2)Zr6Cr2Co4 cuboctahedra. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to two Zr(2,2); four Zr(1,1); two equivalent Cr(2); and four equivalent Co(2) atoms to form distorted CoZr6Cr2Co4 cuboctahedra that share corners with two equivalent Co(3)Zr6Cr6 cuboctahedra, corners with four equivalent Cr(2)Zr6Cr2Co4 cuboctahedra, corners with four equivalent Co(1)Zr6Cr2Co4 cuboctahedra, corners with eight equivalent Cr(1)Zr6Cr4Co2 cuboctahedra, edges with two equivalent Co(1)Zr6Cr2Co4 cuboctahedra, edges with four equivalent Co(3)Zr6Cr6 cuboctahedra, faces with four equivalent Cr(1)Zr6Cr4Co2 cuboctahedra, faces with six equivalent Cr(2)Zr6Cr2Co4 cuboctahedra, and faces with eight equivalent Co(2)Zr6Cr2Co4 cuboctahedra. In the second Co site, Co(2) is bonded to two Zr(2,2); four Zr(1,1,1); two equivalent Cr(2); two equivalent Co(1); and two equivalent Co(2) atoms to form distorted CoZr6Cr2Co4 cuboctahedra that share corners with four equivalent Cr(2)Zr6Cr2Co4 cuboctahedra, corners with four equivalent Co(2)Zr6Cr2Co4 cuboctahedra, corners with four equivalent Co(3)Zr6Cr6 cuboctahedra, corners with six equivalent Cr(1)Zr6Cr4Co2 cuboctahedra, edges with two equivalent Co(2)Zr6Cr2Co4 cuboctahedra, edges with four equivalent Cr(1)Zr6Cr4Co2 cuboctahedra, faces with two equivalent Cr(1)Zr6Cr4Co2 cuboctahedra, faces with two equivalent Co(3)Zr6Cr6 cuboctahedra, faces with four equivalent Co(1)Zr6Cr2Co4 cuboctahedra, faces with four equivalent Co(2)Zr6Cr2Co4 cuboctahedra, and faces with six equivalent Cr(2)Zr6Cr2Co4 cuboctahedra. In the third Co site, Co(3) is bonded to two Zr(1,1); four Zr(2,2); two equivalent Cr(2); and four equivalent Cr(1) atoms to form CoZr6Cr6 cuboctahedra that share corners with two equivalent Co(1)Zr6Cr2Co4 cuboctahedra, corners with four equivalent Cr(2)Zr6Cr2Co4 cuboctahedra, corners with four equivalent Co(3)Zr6Cr6 cuboctahedra, corners with eight equivalent Co(2)Zr6Cr2Co4 cuboctahedra, edges with two equivalent Co(3)Zr6Cr6 cuboctahedra, edges with four equivalent Co(1)Zr6Cr2Co4 cuboctahedra, faces with four equivalent Co(2)Zr6Cr2Co4 cuboctahedra, faces with six equivalent Cr(2)Zr6Cr2Co4 cuboctahedra, and faces with eight equivalent Cr(1)Zr6Cr4Co2 cuboctahedra.
ZrCrCo crystallizes in the orthorhombic Amm2 space group. There are seven inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 16-coordinate geometry to one Zr(1); three Zr(2,2); two equivalent Cr(1); three equivalent Cr(2); one Co(3); two equivalent Co(1); and four equivalent Co(2) atoms. The Zr(1)-Zr(1) bond length is 2.91 Å. There are two shorter (3.05 Å) and one longer (3.08 Å) Zr(1)-Zr(2,2) bond length. Both Zr(1)-Cr(1) bond lengths are 2.87 Å. There are two shorter (2.91 Å) and one longer (3.01 Å) Zr(1)-Cr(2) bond length. The Zr(1)-Co(3) bond length is 2.87 Å. Both Zr(1)-Co(1) bond lengths are 2.88 Å. There are two shorter (2.91 Å) and two longer (2.92 Å) Zr(1)-Co(2) bond lengths. In the second Zr site, Zr(2) is bonded in a 16-coordinate geometry to one Zr(2); three Zr(1,1); three equivalent Cr(2); four equivalent Cr(1); one Co(1); two equivalent Co(2); and two equivalent Co(3) atoms. The Zr(2)-Zr(2) bond length is 3.04 Å. The Zr(2)-Zr(1) bond length is 3.08 Å. There are two shorter (2.93 Å) and one longer (2.96 Å) Zr(2)-Cr(2) bond length. There are two shorter (2.94 Å) and two longer (2.96 Å) Zr(2)-Cr(1) bond lengths. The Zr(2)-Co(1) bond length is 2.83 Å. Both Zr(2)-Co(2) bond lengths are 2.82 Å. Both Zr(2)-Co(3) bond lengths are 2.91 Å. In the third Zr site, Zr(2) is bonded in a 16-coordinate geometry to one Zr(2); three Zr(1,1); three equivalent Cr(2); four equivalent Cr(1); one Co(1); two equivalent Co(2); and two equivalent Co(3) atoms. There are two shorter (3.05 Å) and one longer (3.08 Å) Zr(2)-Zr(1,1) bond length. There are two shorter (2.93 Å) and one longer (2.96 Å) Zr(2)-Cr(2) bond length. There are two shorter (2.94 Å) and two longer (2.96 Å) Zr(2)-Cr(1) bond lengths. The Zr(2)-Co(1) bond length is 2.83 Å. Both Zr(2)-Co(2) bond lengths are 2.82 Å. Both Zr(2)-Co(3) bond lengths are 2.91 Å. In the fourth Zr site, Zr(1) is bonded in a 16-coordinate geometry to one Zr(1); three Zr(2,2); two equivalent Cr(1); three equivalent Cr(2); one Co(3); two equivalent Co(1); and four equivalent Co(2) atoms. The Zr(1)-Zr(2) bond length is 3.08 Å. Both Zr(1)-Cr(1) bond lengths are 2.87 Å. There are two shorter (2.91 Å) and one longer (3.01 Å) Zr(1)-Cr(2) bond length. The Zr(1)-Co(3) bond length is 2.87 Å. Both Zr(1)-Co(1) bond lengths are 2.88 Å. There are two shorter (2.91 Å) and two longer (2.92 Å) Zr(1)-Co(2) bond lengths. In the fifth Zr site, Zr(2) is bonded in a 16-coordinate geometry to one Zr(2); three Zr(1,1); three equivalent Cr(2); four equivalent Cr(1); one Co(1); two equivalent Co(2); and two equivalent Co(3) atoms. The Zr(2)-Zr(2) bond length is 3.04 Å. Both Zr(2)-Zr(1) bond lengths are 3.05 Å. There are two shorter (2.93 Å) and one longer (2.96 Å) Zr(2)-Cr(2) bond length. There are two shorter (2.94 Å) and two longer (2.96 Å) Zr(2)-Cr(1) bond lengths. The Zr(2)-Co(1) bond length is 2.83 Å. Both Zr(2)-Co(2) bond lengths are 2.82 Å. Both Zr(2)-Co(3) bond lengths are 2.91 Å. In the sixth Zr site, Zr(2) is bonded in a 16-coordinate geometry to one Zr(2); three Zr(1,1); three equivalent Cr(2); four equivalent Cr(1); one Co(1); two equivalent Co(2); and two equivalent Co(3) atoms. Both Zr(2)-Zr(1) bond lengths are 3.05 Å. There are two shorter (2.93 Å) and one longer (2.96 Å) Zr(2)-Cr(2) bond length. There are two shorter (2.94 Å) and two longer (2.96 Å) Zr(2)-Cr(1) bond lengths. The Zr(2)-Co(1) bond length is 2.83 Å. Both Zr(2)-Co(2) bond lengths are 2.82 Å. Both Zr(2)-Co(3) bond lengths are 2.91 Å. In the seventh Zr site, Zr(1) is bonded in a 16-coordinate geometry to one Zr(1); three Zr(2,2); two equivalent Cr(1); three equivalent Cr(2); one Co(3); two equivalent Co(1); and four equivalent Co(2) atoms. The Zr(1)-Zr(1) bond length is 2.91 Å. Both Zr(1)-Cr(1) bond lengths are 2.87 Å. There are two shorter (2.91 Å) and one longer (3.01 Å) Zr(1)-Cr(2) bond length. The Zr(1)-Co(3) bond length is 2.87 Å. Both Zr(1)-Co(1) bond lengths are 2.88 Å. There are two shorter (2.91 Å) and two longer (2.92 Å) Zr(1)-Co(2) bond lengths. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to two Zr(1,1); four Zr(2,2,2,2); two equivalent Cr(1); two equivalent Cr(2); and two equivalent Co(3) atoms to form distorted CrZr6Cr4Co2 cuboctahedra that share corners with four equivalent Cr(2)Zr6Cr2Co4 cuboctahedra, corners with four equivalent Cr(1)Zr6Cr4Co2 cuboctahedra, corners with four equivalent Co(1)Zr6Cr2Co4 cuboctahedra, corners with six equivalent Co(2)Zr6Cr2Co4 cuboctahedra, edges with two equivalent Cr(1)Zr6Cr4Co2 cuboctahedra, edges with four equivalent Co(2)Zr6Cr2Co4 cuboctahedra, faces with two equivalent Co(1)Zr6Cr2Co4 cuboctahedra, faces with two equivalent Co(2)Zr6Cr2Co4 cuboctahedra, faces with four equivalent Cr(1)Zr6Cr4Co2 cuboctahedra, faces with four equivalent Co(3)Zr6Cr6 cuboctahedra, and faces with six equivalent Cr(2)Zr6Cr2Co4 cuboctahedra. There is one shorter (2.47 Å) and one longer (2.49 Å) Cr(1)-Cr(1) bond length. Both Cr(1)-Cr(2) bond lengths are 2.44 Å. There is one shorter (2.48 Å) and one longer (2.57 Å) Cr(1)-Co(3) bond length. In the second Cr site, Cr(2) is bonded to three Zr(1,1); three Zr(2,2); two equivalent Cr(1); one Co(1); one Co(3); and two equivalent Co(2) atoms to form distorted CrZr6Cr2Co4 cuboctahedra that share corners with two equivalent Co(1)Zr6Cr2Co4 cuboctahedra, corners with two equivalent Co(3)Zr6Cr6 cuboctahedra, corners with four equivalent Cr(1)Zr6Cr4Co2 cuboctahedra, corners with four equivalent Co(2)Zr6Cr2Co4 cuboctahedra, edges with six equivalent Cr(2)Zr6Cr2Co4 cuboctahedra, faces with two equivalent Cr(2)Zr6Cr2Co4 cuboctahedra, faces with three equivalent Co(1)Zr6Cr2Co4 cuboctahedra, faces with three equivalent Co(3)Zr6Cr6 cuboctahedra, faces with six equivalent Cr(1)Zr6Cr4Co2 cuboctahedra, and faces with six equivalent Co(2)Zr6Cr2Co4 cuboctahedra. The Cr(2)-Co(1) bond length is 2.45 Å. The Cr(2)-Co(3) bond length is 2.51 Å. Both Cr(2)-Co(2) bond lengths are 2.44 Å. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to two Zr(2,2); four Zr(1,1); two equivalent Cr(2); and four equivalent Co(2) atoms to form distorted CoZr6Cr2Co4 cuboctahedra that share corners with two equivalent Co(3)Zr6Cr6 cuboctahedra, corners with four equivalent Cr(2)Zr6Cr2Co4 cuboctahedra, corners with four equivalent Co(1)Zr6Cr2Co4 cuboctahedra, corners with eight equivalent Cr(1)Zr6Cr4Co2 cuboctahedra, edges with two equivalent Co(1)Zr6Cr2Co4 cuboctahedra, edges with four equivalent Co(3)Zr6Cr6 cuboctahedra, faces with four equivalent Cr(1)Zr6Cr4Co2 cuboctahedra, faces with six equivalent Cr(2)Zr6Cr2Co4 cuboctahedra, and faces with eight equivalent Co(2)Zr6Cr2Co4 cuboctahedra. There are two shorter (2.52 Å) and two longer (2.54 Å) Co(1)-Co(2) bond lengths. In the second Co site, Co(2) is bonded to two Zr(2,2); four Zr(1,1,1); two equivalent Cr(2); two equivalent Co(1); and two equivalent Co(2) atoms to form distorted CoZr6Cr2Co4 cuboctahedra that share corners with four equivalent Cr(2)Zr6Cr2Co4 cuboctahedra, corners with four equivalent Co(2)Zr6Cr2Co4 cuboctahedra, corners with four equivalent Co(3)Zr6Cr6 cuboctahedra, corners with six equivalent Cr(1)Zr6Cr4Co2 cuboctahedra, edges with two equivalent Co(2)Zr6Cr2Co4 cuboctahedra, edges with four equivalent Cr(1)Zr6Cr4Co2 cuboctahedra, faces with two equivalent Cr(1)Zr6Cr4Co2 cuboctahedra, faces with two equivalent Co(3)Zr6Cr6 cuboctahedra, faces with four equivalent Co(1)Zr6Cr2Co4 cuboctahedra, faces with four equivalent Co(2)Zr6Cr2Co4 cuboctahedra, and faces with six equivalent Cr(2)Zr6Cr2Co4 cuboctahedra. There is one shorter (2.48 Å) and one longer (2.49 Å) Co(2)-Co(2) bond length. In the third Co site, Co(3) is bonded to two Zr(1,1); four Zr(2,2); two equivalent Cr(2); and four equivalent Cr(1) atoms to form CoZr6Cr6 cuboctahedra that share corners with two equivalent Co(1)Zr6Cr2Co4 cuboctahedra, corners with four equivalent Cr(2)Zr6Cr2Co4 cuboctahedra, corners with four equivalent Co(3)Zr6Cr6 cuboctahedra, corners with eight equivalent Co(2)Zr6Cr2Co4 cuboctahedra, edges with two equivalent Co(3)Zr6Cr6 cuboctahedra, edges with four equivalent Co(1)Zr6Cr2Co4 cuboctahedra, faces with four equivalent Co(2)Zr6Cr2Co4 cuboctahedra, faces with six equivalent Cr(2)Zr6Cr2Co4 cuboctahedra, and faces with eight equivalent Cr(1)Zr6Cr4Co2 cuboctahedra.