TbAl3(BO3)4 is Calcite-derived structured and crystallizes in the trigonal R32 space group. Tb(1) is bonded in a 6-coordinate geometry to six equivalent O(1) atoms. Al(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form edge-sharing AlO6 octahedra. There are two inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(3) and two equivalent O(1) atoms. In the second B site, B(2) is bonded in a trigonal planar geometry to three equivalent O(2) atoms. There are three inequivalent O sites. In the first O site, O(3) is bonded in a distorted trigonal planar geometry to two equivalent Al(1) and one B(1) atom. In the second O site, O(1) is bonded in a 3-coordinate geometry to one Tb(1), one Al(1), and one B(1) atom. In the third O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Al(1) and one B(2) atom.
TbAl3(BO3)4 is Calcite-derived structured and crystallizes in the trigonal R32 space group. Tb(1) is bonded in a 6-coordinate geometry to six equivalent O(1) atoms. All Tb(1)-O(1) bond lengths are 2.35 Å. Al(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form edge-sharing AlO6 octahedra. Both Al(1)-O(1) bond lengths are 1.88 Å. Both Al(1)-O(2) bond lengths are 1.94 Å. Both Al(1)-O(3) bond lengths are 1.95 Å. There are two inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(3) and two equivalent O(1) atoms. The B(1)-O(3) bond length is 1.39 Å. Both B(1)-O(1) bond lengths are 1.38 Å. In the second B site, B(2) is bonded in a trigonal planar geometry to three equivalent O(2) atoms. All B(2)-O(2) bond lengths are 1.39 Å. There are three inequivalent O sites. In the first O site, O(3) is bonded in a distorted trigonal planar geometry to two equivalent Al(1) and one B(1) atom. In the second O site, O(1) is bonded in a 3-coordinate geometry to one Tb(1), one Al(1), and one B(1) atom. In the third O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Al(1) and one B(2) atom.