CuGe4Hf2 is Parent of FeAs superconductors-derived structured and crystallizes in the orthorhombic Cmcm space group. There are two inequivalent Hf sites. In the first Hf site, Hf(1) is bonded to four equivalent Cu(1), two equivalent Ge(1), two equivalent Ge(4), and four equivalent Ge(2) atoms to form distorted HfCu4Ge8 cuboctahedra that share corners with four equivalent Hf(1)Cu4Ge8 cuboctahedra, edges with four equivalent Hf(1)Cu4Ge8 cuboctahedra, edges with eight equivalent Cu(1)Hf4Cu4Ge4 cuboctahedra, faces with four equivalent Hf(1)Cu4Ge8 cuboctahedra, and faces with four equivalent Cu(1)Hf4Cu4Ge4 cuboctahedra. In the second Hf site, Hf(2) is bonded in a 10-coordinate geometry to two equivalent Ge(1), two equivalent Ge(4), and six equivalent Ge(3) atoms. Cu(1) is bonded to four equivalent Hf(1), four equivalent Cu(1), and four equivalent Ge(2) atoms to form distorted CuHf4Cu4Ge4 cuboctahedra that share corners with four equivalent Cu(1)Hf4Cu4Ge4 cuboctahedra, edges with eight equivalent Hf(1)Cu4Ge8 cuboctahedra, faces with four equivalent Hf(1)Cu4Ge8 cuboctahedra, and faces with eight equivalent Cu(1)Hf4Cu4Ge4 cuboctahedra. There are four inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a 8-coordinate geometry to two equivalent Hf(1), two equivalent Hf(2), and four equivalent Ge(4) atoms. In the second Ge site, Ge(2) is bonded in a 8-coordinate geometry to four equivalent Hf(1) and four equivalent Cu(1) atoms. In the third Ge site, Ge(3) is bonded in a 8-coordinate geometry to six equivalent Hf(2) and two equivalent Ge(3) atoms. In the fourth Ge site, Ge(4) is bonded in a 8-coordinate geometry to two equivalent Hf(1), two equivalent Hf(2), and four equivalent Ge(1) atoms.
CuGe4Hf2 is Parent of FeAs superconductors-derived structured and crystallizes in the orthorhombic Cmcm space group. There are two inequivalent Hf sites. In the first Hf site, Hf(1) is bonded to four equivalent Cu(1), two equivalent Ge(1), two equivalent Ge(4), and four equivalent Ge(2) atoms to form distorted HfCu4Ge8 cuboctahedra that share corners with four equivalent Hf(1)Cu4Ge8 cuboctahedra, edges with four equivalent Hf(1)Cu4Ge8 cuboctahedra, edges with eight equivalent Cu(1)Hf4Cu4Ge4 cuboctahedra, faces with four equivalent Hf(1)Cu4Ge8 cuboctahedra, and faces with four equivalent Cu(1)Hf4Cu4Ge4 cuboctahedra. There are two shorter (3.05 Å) and two longer (3.07 Å) Hf(1)-Cu(1) bond lengths. Both Hf(1)-Ge(1) bond lengths are 2.87 Å. Both Hf(1)-Ge(4) bond lengths are 2.87 Å. All Hf(1)-Ge(2) bond lengths are 2.80 Å. In the second Hf site, Hf(2) is bonded in a 10-coordinate geometry to two equivalent Ge(1), two equivalent Ge(4), and six equivalent Ge(3) atoms. Both Hf(2)-Ge(1) bond lengths are 2.89 Å. Both Hf(2)-Ge(4) bond lengths are 2.89 Å. There are four shorter (2.77 Å) and two longer (3.14 Å) Hf(2)-Ge(3) bond lengths. Cu(1) is bonded to four equivalent Hf(1), four equivalent Cu(1), and four equivalent Ge(2) atoms to form distorted CuHf4Cu4Ge4 cuboctahedra that share corners with four equivalent Cu(1)Hf4Cu4Ge4 cuboctahedra, edges with eight equivalent Hf(1)Cu4Ge8 cuboctahedra, faces with four equivalent Hf(1)Cu4Ge8 cuboctahedra, and faces with eight equivalent Cu(1)Hf4Cu4Ge4 cuboctahedra. All Cu(1)-Cu(1) bond lengths are 2.69 Å. There are two shorter (2.49 Å) and two longer (2.50 Å) Cu(1)-Ge(2) bond lengths. There are four inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a 8-coordinate geometry to two equivalent Hf(1), two equivalent Hf(2), and four equivalent Ge(4) atoms. All Ge(1)-Ge(4) bond lengths are 2.69 Å. In the second Ge site, Ge(2) is bonded in a 8-coordinate geometry to four equivalent Hf(1) and four equivalent Cu(1) atoms. In the third Ge site, Ge(3) is bonded in a 8-coordinate geometry to six equivalent Hf(2) and two equivalent Ge(3) atoms. Both Ge(3)-Ge(3) bond lengths are 2.65 Å. In the fourth Ge site, Ge(4) is bonded in a 8-coordinate geometry to two equivalent Hf(1), two equivalent Hf(2), and four equivalent Ge(1) atoms.