TaMoB2 is delta Molybdenum Boride-derived structured and crystallizes in the orthorhombic Amm2 space group. Ta(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 Ta(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 Ta(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 Ta(1), four equivalent Mo(1), and two equivalent B(1) atoms.
TaMoB2 is delta Molybdenum Boride-derived structured and crystallizes in the orthorhombic Amm2 space group. Ta(1) is bonded in a 11-coordinate geometry to four equivalent Mo(1), three equivalent B(2), and four equivalent B(1) atoms. All Ta(1)-Mo(1) bond lengths are 2.87 Å. There are two shorter (2.39 Å) and one longer (2.52 Å) Ta(1)-B(2) bond length. All Ta(1)-B(1) bond lengths are 2.37 Å. Mo(1) is bonded in a 11-coordinate geometry to four equivalent Ta(1), three equivalent B(1), and four equivalent B(2) atoms. There are two shorter (2.37 Å) and one longer (2.55 Å) Mo(1)-B(1) bond length. All Mo(1)-B(2) bond lengths are 2.36 Å. There are two inequivalent B sites. In the first B site, B(1) is bonded in a 9-coordinate geometry to four equivalent Ta(1), three equivalent Mo(1), and two equivalent B(2) atoms. Both B(1)-B(2) bond lengths are 1.86 Å. In the second B site, B(2) is bonded in a 9-coordinate geometry to three equivalent Ta(1), four equivalent Mo(1), and two equivalent B(1) atoms.