Tb2Ti2S2O5 crystallizes in the tetragonal I4/mmm space group. Tb(1) is bonded in a 9-coordinate geometry to five equivalent S(1) and four equivalent O(1) atoms. Ti(1) is bonded in a 5-coordinate geometry to one S(1), one O(2), and four equivalent O(1) atoms. S(1) is bonded in a 6-coordinate geometry to five equivalent Tb(1) and one Ti(1) atom. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Tb(1) and two equivalent Ti(1) atoms to form a mixture of distorted edge and corner-sharing OTb2Ti2 trigonal pyramids. In the second O site, O(2) is bonded in a linear geometry to two equivalent Ti(1) atoms.
Tb2Ti2S2O5 crystallizes in the tetragonal I4/mmm space group. Tb(1) is bonded in a 9-coordinate geometry to five equivalent S(1) and four equivalent O(1) atoms. There are four shorter (2.83 Å) and one longer (2.96 Å) Tb(1)-S(1) bond length. All Tb(1)-O(1) bond lengths are 2.45 Å. Ti(1) is bonded in a 5-coordinate geometry to one S(1), one O(2), and four equivalent O(1) atoms. The Ti(1)-S(1) bond length is 2.91 Å. The Ti(1)-O(2) bond length is 1.81 Å. All Ti(1)-O(1) bond lengths are 1.96 Å. S(1) is bonded in a 6-coordinate geometry to five equivalent Tb(1) and one Ti(1) atom. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Tb(1) and two equivalent Ti(1) atoms to form a mixture of distorted edge and corner-sharing OTb2Ti2 trigonal pyramids. In the second O site, O(2) is bonded in a linear geometry to two equivalent Ti(1) atoms.