Ti2ReB2 crystallizes in the tetragonal P4/mbm space group. Ti(1) is bonded in a 10-coordinate geometry to four equivalent Re(1) and six equivalent B(1) atoms. Re(1) is bonded to eight equivalent Ti(1) and four equivalent B(1) atoms to form a mixture of face and corner-sharing ReTi8B4 cuboctahedra. B(1) is bonded in a 9-coordinate geometry to six equivalent Ti(1), two equivalent Re(1), and one B(1) atom.
Ti2ReB2 crystallizes in the tetragonal P4/mbm space group. Ti(1) is bonded in a 10-coordinate geometry to four equivalent Re(1) and six equivalent B(1) atoms. All Ti(1)-Re(1) bond lengths are 2.70 Å. There are four shorter (2.38 Å) and two longer (2.39 Å) Ti(1)-B(1) bond lengths. Re(1) is bonded to eight equivalent Ti(1) and four equivalent B(1) atoms to form a mixture of face and corner-sharing ReTi8B4 cuboctahedra. All Re(1)-B(1) bond lengths are 2.42 Å. B(1) is bonded in a 9-coordinate geometry to six equivalent Ti(1), two equivalent Re(1), and one B(1) atom. The B(1)-B(1) bond length is 1.82 Å.