BaTlIn3 crystallizes in the tetragonal I-4m2 space group. Ba(1) is bonded in a 16-coordinate geometry to four equivalent Tl(1), four equivalent In(2), and eight equivalent In(1) atoms. Tl(1) is bonded in a 4-coordinate geometry to four equivalent Ba(1) and four equivalent In(1) atoms. There are two inequivalent In sites. In the first In site, In(1) is bonded in a 9-coordinate geometry to four equivalent Ba(1), two equivalent Tl(1), one In(1), and two equivalent In(2) atoms. In the second In site, In(2) is bonded in a 8-coordinate geometry to four equivalent Ba(1) and four equivalent In(1) atoms.
BaTlIn3 crystallizes in the tetragonal I-4m2 space group. Ba(1) is bonded in a 16-coordinate geometry to four equivalent Tl(1), four equivalent In(2), and eight equivalent In(1) atoms. All Ba(1)-Tl(1) bond lengths are 4.01 Å. All Ba(1)-In(2) bond lengths are 4.01 Å. All Ba(1)-In(1) bond lengths are 3.91 Å. Tl(1) is bonded in a 4-coordinate geometry to four equivalent Ba(1) and four equivalent In(1) atoms. All Tl(1)-In(1) bond lengths are 3.04 Å. There are two inequivalent In sites. In the first In site, In(1) is bonded in a 9-coordinate geometry to four equivalent Ba(1), two equivalent Tl(1), one In(1), and two equivalent In(2) atoms. The In(1)-In(1) bond length is 2.89 Å. Both In(1)-In(2) bond lengths are 3.04 Å. In the second In site, In(2) is bonded in a 8-coordinate geometry to four equivalent Ba(1) and four equivalent In(1) atoms.