Zr6Zn23Ge crystallizes in the cubic Fm-3m space group. Zr(1) is bonded in a distorted single-bond geometry to four equivalent Zn(1), four equivalent Zn(2), four equivalent Zn(3), and one Ge(1) atom. There are four inequivalent Zn sites. In the first Zn site, Zn(2) is bonded to four equivalent Zr(1), four equivalent Zn(1), and four equivalent Zn(3) atoms to form ZnZr4Zn8 cuboctahedra that share corners with four equivalent Zn(2)Zr4Zn8 cuboctahedra, edges with two equivalent Ge(1)Zr6 octahedra, and faces with eight equivalent Zn(2)Zr4Zn8 cuboctahedra. In the second Zn site, Zn(3) is bonded in a 12-coordinate geometry to three equivalent Zr(1), three equivalent Zn(1), three equivalent Zn(2), and three equivalent Zn(3) atoms. In the third Zn site, Zn(4) is bonded in a body-centered cubic geometry to eight equivalent Zn(1) atoms. In the fourth Zn site, Zn(1) is bonded in a 10-coordinate geometry to three equivalent Zr(1), one Zn(4), three equivalent Zn(2), and three equivalent Zn(3) atoms. Ge(1) is bonded to six equivalent Zr(1) atoms to form GeZr6 octahedra that share edges with twelve equivalent Zn(2)Zr4Zn8 cuboctahedra.
Zr6Zn23Ge crystallizes in the cubic Fm-3m space group. Zr(1) is bonded in a distorted single-bond geometry to four equivalent Zn(1), four equivalent Zn(2), four equivalent Zn(3), and one Ge(1) atom. All Zr(1)-Zn(1) bond lengths are 2.93 Å. All Zr(1)-Zn(2) bond lengths are 3.11 Å. All Zr(1)-Zn(3) bond lengths are 2.93 Å. The Zr(1)-Ge(1) bond length is 2.64 Å. There are four inequivalent Zn sites. In the first Zn site, Zn(2) is bonded to four equivalent Zr(1), four equivalent Zn(1), and four equivalent Zn(3) atoms to form ZnZr4Zn8 cuboctahedra that share corners with four equivalent Zn(2)Zr4Zn8 cuboctahedra, edges with two equivalent Ge(1)Zr6 octahedra, and faces with eight equivalent Zn(2)Zr4Zn8 cuboctahedra. All Zn(2)-Zn(1) bond lengths are 2.67 Å. All Zn(2)-Zn(3) bond lengths are 2.51 Å. In the second Zn site, Zn(3) is bonded in a 12-coordinate geometry to three equivalent Zr(1), three equivalent Zn(1), three equivalent Zn(2), and three equivalent Zn(3) atoms. All Zn(3)-Zn(1) bond lengths are 2.69 Å. All Zn(3)-Zn(3) bond lengths are 2.96 Å. In the third Zn site, Zn(4) is bonded in a body-centered cubic geometry to eight equivalent Zn(1) atoms. All Zn(4)-Zn(1) bond lengths are 2.65 Å. In the fourth Zn site, Zn(1) is bonded in a 10-coordinate geometry to three equivalent Zr(1), one Zn(4), three equivalent Zn(2), and three equivalent Zn(3) atoms. Ge(1) is bonded to six equivalent Zr(1) atoms to form GeZr6 octahedra that share edges with twelve equivalent Zn(2)Zr4Zn8 cuboctahedra.