Be12Ti crystallizes in the tetragonal I4/mmm space group. There are three inequivalent Be sites. In the first Be site, Be(1) is bonded in a 10-coordinate geometry to two equivalent Be(1), four equivalent Be(2), four equivalent Be(3), and two equivalent Ti(1) atoms. In the second Be site, Be(3) is bonded in a 12-coordinate geometry to two equivalent Be(3), four equivalent Be(1), four equivalent Be(2), and two equivalent Ti(1) atoms. In the third Be site, Be(2) is bonded in a 10-coordinate geometry to one Be(2), four equivalent Be(1), four equivalent Be(3), and one Ti(1) atom. Ti(1) is bonded in a 20-coordinate geometry to four equivalent Be(2), eight equivalent Be(1), and eight equivalent Be(3) atoms.
Be12Ti crystallizes in the tetragonal I4/mmm space group. There are three inequivalent Be sites. In the first Be site, Be(1) is bonded in a 10-coordinate geometry to two equivalent Be(1), four equivalent Be(2), four equivalent Be(3), and two equivalent Ti(1) atoms. Both Be(1)-Be(1) bond lengths are 2.08 Å. All Be(1)-Be(2) bond lengths are 2.23 Å. All Be(1)-Be(3) bond lengths are 2.12 Å. Both Be(1)-Ti(1) bond lengths are 2.79 Å. In the second Be site, Be(3) is bonded in a 12-coordinate geometry to two equivalent Be(3), four equivalent Be(1), four equivalent Be(2), and two equivalent Ti(1) atoms. Both Be(3)-Be(3) bond lengths are 2.25 Å. There are two shorter (2.30 Å) and two longer (2.34 Å) Be(3)-Be(2) bond lengths. Both Be(3)-Ti(1) bond lengths are 2.62 Å. In the third Be site, Be(2) is bonded in a 10-coordinate geometry to one Be(2), four equivalent Be(1), four equivalent Be(3), and one Ti(1) atom. The Be(2)-Be(2) bond length is 2.19 Å. The Be(2)-Ti(1) bond length is 2.57 Å. Ti(1) is bonded in a 20-coordinate geometry to four equivalent Be(2), eight equivalent Be(1), and eight equivalent Be(3) atoms.