K8BeZr6Br20 crystallizes in the cubic Fm-3m space group. K(1) is bonded in a 4-coordinate geometry to one Br(3) and three equivalent Br(2) atoms. Be(1) is bonded to six equivalent Zr(1) atoms to form BeZr6 octahedra that share corners with six equivalent Br(2)K4Zr square pyramids. Zr(1) is bonded to one Be(1), one Br(2), and four equivalent Br(1) atoms to form a mixture of corner and edge-sharing ZrBeBr5 octahedra. The corner-sharing octahedra are not tilted. There are three inequivalent Br sites. In the first Br site, Br(2) is bonded to four equivalent K(1) and one Zr(1) atom to form distorted BrK4Zr square pyramids that share  a cornercorner with one Be(1)Zr6 octahedra, corners with four equivalent Br(3)K4 tetrahedra, and edges with four equivalent Br(2)K4Zr square pyramids. The corner-sharing octahedra are not tilted. In the second Br site, Br(3) is bonded to four equivalent K(1) atoms to form corner-sharing BrK4 tetrahedra. In the third Br site, Br(1) is bonded in a distorted L-shaped geometry to two equivalent Zr(1) atoms.
K8BeZr6Br20 crystallizes in the cubic Fm-3m space group. K(1) is bonded in a 4-coordinate geometry to one Br(3) and three equivalent Br(2) atoms. The K(1)-Br(3) bond length is 3.15 Å. All K(1)-Br(2) bond lengths are 3.37 Å. Be(1) is bonded to six equivalent Zr(1) atoms to form BeZr6 octahedra that share corners with six equivalent Br(2)K4Zr square pyramids. All Be(1)-Zr(1) bond lengths are 2.40 Å. Zr(1) is bonded to one Be(1), one Br(2), and four equivalent Br(1) atoms to form a mixture of corner and edge-sharing ZrBeBr5 octahedra. The corner-sharing octahedra are not tilted. The Zr(1)-Br(2) bond length is 2.88 Å. All Zr(1)-Br(1) bond lengths are 2.75 Å. There are three inequivalent Br sites. In the first Br site, Br(2) is bonded to four equivalent K(1) and one Zr(1) atom to form distorted BrK4Zr square pyramids that share  a cornercorner with one Be(1)Zr6 octahedra, corners with four equivalent Br(3)K4 tetrahedra, and edges with four equivalent Br(2)K4Zr square pyramids. The corner-sharing octahedra are not tilted. In the second Br site, Br(3) is bonded to four equivalent K(1) atoms to form corner-sharing BrK4 tetrahedra. In the third Br site, Br(1) is bonded in a distorted L-shaped geometry to two equivalent Zr(1) atoms.