CsCa2Ta3O10 crystallizes in the tetragonal P4/mmm space group. Cs(1) is bonded in a body-centered cubic geometry to eight equivalent O(1) atoms. Ca(1) is bonded in a 12-coordinate geometry to four equivalent O(2), four equivalent O(3), and four equivalent O(4) atoms. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded to two equivalent O(4) and four equivalent O(3) atoms to form corner-sharing TaO6 octahedra. The corner-sharing octahedra are not tilted. In the second Ta site, Ta(2) is bonded in a 6-coordinate geometry to one O(1), one O(4), and four equivalent O(2) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to four equivalent Cs(1) and one Ta(2) atom. In the second O site, O(2) is bonded in a distorted see-saw-like geometry to two equivalent Ca(1) and two equivalent Ta(2) atoms. In the third O site, O(3) is bonded in a linear geometry to four equivalent Ca(1) and two equivalent Ta(1) atoms. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to four equivalent Ca(1), one Ta(1), and one Ta(2) atom.
CsCa2Ta3O10 crystallizes in the tetragonal P4/mmm space group. Cs(1) is bonded in a body-centered cubic geometry to eight equivalent O(1) atoms. All Cs(1)-O(1) bond lengths are 3.26 Å. Ca(1) is bonded in a 12-coordinate geometry to four equivalent O(2), four equivalent O(3), and four equivalent O(4) atoms. All Ca(1)-O(2) bond lengths are 2.52 Å. All Ca(1)-O(3) bond lengths are 3.03 Å. All Ca(1)-O(4) bond lengths are 2.81 Å. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded to two equivalent O(4) and four equivalent O(3) atoms to form corner-sharing TaO6 octahedra. The corner-sharing octahedra are not tilted. Both Ta(1)-O(4) bond lengths are 1.97 Å. All Ta(1)-O(3) bond lengths are 1.98 Å. In the second Ta site, Ta(2) is bonded in a 6-coordinate geometry to one O(1), one O(4), and four equivalent O(2) atoms. The Ta(2)-O(1) bond length is 1.80 Å. The Ta(2)-O(4) bond length is 2.30 Å. All Ta(2)-O(2) bond lengths are 2.02 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to four equivalent Cs(1) and one Ta(2) atom. In the second O site, O(2) is bonded in a distorted see-saw-like geometry to two equivalent Ca(1) and two equivalent Ta(2) atoms. In the third O site, O(3) is bonded in a linear geometry to four equivalent Ca(1) and two equivalent Ta(1) atoms. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to four equivalent Ca(1), one Ta(1), and one Ta(2) atom.