TiNbB2 is delta Molybdenum Boride-derived structured and crystallizes in the orthorhombic Amm2 space group. Ti(1) is bonded in a 7-coordinate geometry to three equivalent B(2) and four equivalent B(1) atoms. Nb(1) is bonded in a 7-coordinate geometry to 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 Nb(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 Nb(1), and two equivalent B(1) atoms.
TiNbB2 is delta Molybdenum Boride-derived structured and crystallizes in the orthorhombic Amm2 space group. Ti(1) is bonded in a 7-coordinate geometry to three equivalent B(2) and four equivalent B(1) atoms. There are two shorter (2.40 Å) and one longer (2.59 Å) Ti(1)-B(2) bond length. All Ti(1)-B(1) bond lengths are 2.38 Å. Nb(1) is bonded in a 7-coordinate geometry to three equivalent B(1) and four equivalent B(2) atoms. There are two shorter (2.42 Å) and one longer (2.56 Å) Nb(1)-B(1) bond length. All Nb(1)-B(2) bond lengths are 2.39 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 Nb(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 Nb(1), and two equivalent B(1) atoms.