CsBO6 crystallizes in the tetragonal I-42m space group. Cs(1) is bonded in a 16-coordinate geometry to eight equivalent O(1) and eight equivalent O(2) atoms. B(1) is bonded in a tetrahedral geometry to four equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Cs(1) atoms to form a mixture of edge and corner-sharing OCs4 tetrahedra. In the second O site, O(2) is bonded in a single-bond geometry to two equivalent Cs(1) and one B(1) atom.
CsBO6 crystallizes in the tetragonal I-42m space group. Cs(1) is bonded in a 16-coordinate geometry to eight equivalent O(1) and eight equivalent O(2) atoms. All Cs(1)-O(1) bond lengths are 3.43 Å. There are four shorter (2.98 Å) and four longer (3.27 Å) Cs(1)-O(2) bond lengths. B(1) is bonded in a tetrahedral geometry to four equivalent O(2) atoms. All B(1)-O(2) bond lengths are 1.45 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Cs(1) atoms to form a mixture of edge and corner-sharing OCs4 tetrahedra. In the second O site, O(2) is bonded in a single-bond geometry to two equivalent Cs(1) and one B(1) atom.