Mo5As4 crystallizes in the tetragonal I4/m space group. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 9-coordinate geometry to four equivalent Mo(1) and five equivalent As(1) atoms. In the second Mo site, Mo(2) is bonded in a body-centered cubic geometry to eight equivalent As(1) atoms. As(1) is bonded in a 7-coordinate geometry to two equivalent Mo(2) and five equivalent Mo(1) atoms.
Mo5As4 crystallizes in the tetragonal I4/m space group. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 9-coordinate geometry to four equivalent Mo(1) and five equivalent As(1) atoms. All Mo(1)-Mo(1) bond lengths are 2.73 Å. There are a spread of Mo(1)-As(1) bond distances ranging from 2.61-2.89 Å. In the second Mo site, Mo(2) is bonded in a body-centered cubic geometry to eight equivalent As(1) atoms. All Mo(2)-As(1) bond lengths are 2.66 Å. As(1) is bonded in a 7-coordinate geometry to two equivalent Mo(2) and five equivalent Mo(1) atoms.