TiMoB2 is delta Molybdenum Boride-derived structured and crystallizes in the orthorhombic Amm2 space group. Ti(1) is bonded in a 11-coordinate geometry to four equivalent Mo(1), three equivalent B(2), and four equivalent B(1) atoms. Mo(1) is bonded in a 11-coordinate geometry to four equivalent Ti(1), three equivalent B(1), and four equivalent B(2) atoms. There are two inequivalent B sites. In the first B site, B(1) is bonded in a 9-coordinate geometry to four equivalent Ti(1), three equivalent Mo(1), and two equivalent B(2) atoms. In the second B site, B(2) is bonded in a 9-coordinate geometry to three equivalent Ti(1), four equivalent Mo(1), and two equivalent B(1) atoms.
TiMoB2 is delta Molybdenum Boride-derived structured and crystallizes in the orthorhombic Amm2 space group. Ti(1) is bonded in a 11-coordinate geometry to four equivalent Mo(1), three equivalent B(2), and four equivalent B(1) atoms. All Ti(1)-Mo(1) bond lengths are 2.81 Å. There are two shorter (2.36 Å) and one longer (2.47 Å) Ti(1)-B(2) bond length. All Ti(1)-B(1) bond lengths are 2.33 Å. Mo(1) is bonded in a 11-coordinate geometry to four equivalent Ti(1), three equivalent B(1), and four equivalent B(2) atoms. There are two shorter (2.34 Å) and one longer (2.49 Å) Mo(1)-B(1) bond length. All Mo(1)-B(2) bond lengths are 2.32 Å. There are two inequivalent B sites. In the first B site, B(1) is bonded in a 9-coordinate geometry to four equivalent Ti(1), three equivalent Mo(1), and two equivalent B(2) atoms. Both B(1)-B(2) bond lengths are 1.84 Å. In the second B site, B(2) is bonded in a 9-coordinate geometry to three equivalent Ti(1), four equivalent Mo(1), and two equivalent B(1) atoms.