LiTb(SO4)2 crystallizes in the tetragonal P-4n2 space group. Li(1) is bonded in a 4-coordinate geometry to four equivalent O(1) atoms. Tb(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. S(1) is bonded in a tetrahedral geometry to two equivalent O(1) and two equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Li(1), one Tb(1), and one S(1) atom. In the second O site, O(2) is bonded in a distorted water-like geometry to one Tb(1) and one S(1) atom.
LiTb(SO4)2 crystallizes in the tetragonal P-4n2 space group. Li(1) is bonded in a 4-coordinate geometry to four equivalent O(1) atoms. All Li(1)-O(1) bond lengths are 1.89 Å. Tb(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. All Tb(1)-O(1) bond lengths are 2.45 Å. All Tb(1)-O(2) bond lengths are 2.40 Å. S(1) is bonded in a tetrahedral geometry to two equivalent O(1) and two equivalent O(2) atoms. Both S(1)-O(1) bond lengths are 1.51 Å. Both S(1)-O(2) bond lengths are 1.48 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Li(1), one Tb(1), and one S(1) atom. In the second O site, O(2) is bonded in a distorted water-like geometry to one Tb(1) and one S(1) atom.