Mo2RuB2 crystallizes in the orthorhombic Pnnm space group. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 4-coordinate geometry to two equivalent B(1) and three equivalent B(2) atoms. In the second Mo site, Mo(2) is bonded in a 7-coordinate geometry to three equivalent B(2) and four equivalent B(1) atoms. Ru(1) is bonded in a 3-coordinate geometry to one B(1) and two 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 two equivalent Mo(1), four equivalent Mo(2), one Ru(1), one B(1), and one B(2) atom. In the second B site, B(2) is bonded in a 9-coordinate geometry to three equivalent Mo(1), three equivalent Mo(2), two equivalent Ru(1), and one B(1) atom.
Mo2RuB2 crystallizes in the orthorhombic Pnnm space group. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 4-coordinate geometry to two equivalent B(1) and three equivalent B(2) atoms. Both Mo(1)-B(1) bond lengths are 2.30 Å. There are two shorter (2.30 Å) and one longer (2.73 Å) Mo(1)-B(2) bond length. In the second Mo site, Mo(2) is bonded in a 7-coordinate geometry to three equivalent B(2) and four equivalent B(1) atoms. There are two shorter (2.34 Å) and one longer (2.57 Å) Mo(2)-B(2) bond length. There are two shorter (2.32 Å) and two longer (2.34 Å) Mo(2)-B(1) bond lengths. Ru(1) is bonded in a 3-coordinate geometry to one B(1) and two equivalent B(2) atoms. The Ru(1)-B(1) bond length is 2.44 Å. Both Ru(1)-B(2) bond lengths are 2.18 Å. There are two inequivalent B sites. In the first B site, B(1) is bonded in a 9-coordinate geometry to two equivalent Mo(1), four equivalent Mo(2), one Ru(1), one B(1), and one B(2) atom. The B(1)-B(1) bond length is 1.89 Å. The B(1)-B(2) bond length is 1.86 Å. In the second B site, B(2) is bonded in a 9-coordinate geometry to three equivalent Mo(1), three equivalent Mo(2), two equivalent Ru(1), and one B(1) atom.