CsTaOB2O5 crystallizes in the orthorhombic Pmn2_1 space group. Cs(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(4), and four equivalent O(2) atoms. Ta(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form corner-sharing TaO6 octahedra. The corner-sharing octahedral tilt angles are 1°. B(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(4) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to one Cs(1), one Ta(1), and one B(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to two equivalent Cs(1), one Ta(1), and one B(1) atom. In the third O site, O(3) is bonded in a linear geometry to two equivalent Ta(1) atoms. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to two equivalent Cs(1) and two equivalent B(1) atoms.
CsTaOB2O5 crystallizes in the orthorhombic Pmn2_1 space group. Cs(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(4), and four equivalent O(2) atoms. Both Cs(1)-O(1) bond lengths are 3.40 Å. There is one shorter (3.23 Å) and one longer (3.24 Å) Cs(1)-O(4) bond length. There are two shorter (3.16 Å) and two longer (3.24 Å) Cs(1)-O(2) bond lengths. Ta(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form corner-sharing TaO6 octahedra. The corner-sharing octahedral tilt angles are 1°. Both Ta(1)-O(1) bond lengths are 1.98 Å. Both Ta(1)-O(2) bond lengths are 2.03 Å. There is one shorter (1.88 Å) and one longer (2.09 Å) Ta(1)-O(3) bond length. B(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(4) atom. The B(1)-O(1) bond length is 1.36 Å. The B(1)-O(2) bond length is 1.36 Å. The B(1)-O(4) bond length is 1.41 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to one Cs(1), one Ta(1), and one B(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to two equivalent Cs(1), one Ta(1), and one B(1) atom. In the third O site, O(3) is bonded in a linear geometry to two equivalent Ta(1) atoms. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to two equivalent Cs(1) and two equivalent B(1) atoms.