Cu3B7O13Br crystallizes in the cubic F-43c space group. Cu(1) is bonded in a distorted square co-planar geometry to four equivalent O(2) and two equivalent Br(1) atoms. There are two inequivalent B sites. In the first B site, B(1) is bonded to one O(1) and three equivalent O(2) atoms to form corner-sharing BO4 tetrahedra. In the second B site, B(2) is bonded to four equivalent O(2) atoms to form corner-sharing BO4 tetrahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a tetrahedral geometry to four equivalent B(1) atoms. In the second O site, O(2) is bonded in a trigonal planar geometry to one Cu(1), one B(1), and one B(2) atom. Br(1) is bonded to six equivalent Cu(1) atoms to form corner-sharing BrCu6 octahedra. The corner-sharing octahedra are not tilted.
Cu3B7O13Br crystallizes in the cubic F-43c space group. Cu(1) is bonded in a distorted square co-planar geometry to four equivalent O(2) and two equivalent Br(1) atoms. All Cu(1)-O(2) bond lengths are 2.03 Å. Both Cu(1)-Br(1) bond lengths are 3.02 Å. There are two inequivalent B sites. In the first B site, B(1) is bonded to one O(1) and three equivalent O(2) atoms to form corner-sharing BO4 tetrahedra. The B(1)-O(1) bond length is 1.69 Å. All B(1)-O(2) bond lengths are 1.44 Å. In the second B site, B(2) is bonded to four equivalent O(2) atoms to form corner-sharing BO4 tetrahedra. All B(2)-O(2) bond lengths are 1.47 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded in a tetrahedral geometry to four equivalent B(1) atoms. In the second O site, O(2) is bonded in a trigonal planar geometry to one Cu(1), one B(1), and one B(2) atom. Br(1) is bonded to six equivalent Cu(1) atoms to form corner-sharing BrCu6 octahedra. The corner-sharing octahedra are not tilted.