Mo2As3P is Magnesium tetraboride-derived structured and crystallizes in the monoclinic Cm space group. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 8-coordinate geometry to two equivalent As(2), two equivalent As(3), three equivalent As(1), and one P(1) atom. In the second Mo site, Mo(2) is bonded in a 8-coordinate geometry to one As(3), two equivalent As(1), three equivalent As(2), and two equivalent P(1) atoms. There are three inequivalent As sites. In the first As site, As(1) is bonded in a 8-coordinate geometry to two equivalent Mo(2), three equivalent Mo(1), and three equivalent As(2) atoms. In the second As site, As(2) is bonded in a 8-coordinate geometry to two equivalent Mo(1), three equivalent Mo(2), and three equivalent As(1) atoms. In the third As site, As(3) is bonded in a 6-coordinate geometry to one Mo(2), two equivalent Mo(1), and three equivalent P(1) atoms. P(1) is bonded in a 6-coordinate geometry to one Mo(1), two equivalent Mo(2), and three equivalent As(3) atoms.
Mo2As3P is Magnesium tetraboride-derived structured and crystallizes in the monoclinic Cm space group. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 8-coordinate geometry to two equivalent As(2), two equivalent As(3), three equivalent As(1), and one P(1) atom. Both Mo(1)-As(2) bond lengths are 2.77 Å. Both Mo(1)-As(3) bond lengths are 2.59 Å. There are two shorter (2.60 Å) and one longer (2.68 Å) Mo(1)-As(1) bond length. The Mo(1)-P(1) bond length is 2.51 Å. In the second Mo site, Mo(2) is bonded in a 8-coordinate geometry to one As(3), two equivalent As(1), three equivalent As(2), and two equivalent P(1) atoms. The Mo(2)-As(3) bond length is 2.58 Å. Both Mo(2)-As(1) bond lengths are 2.79 Å. There are two shorter (2.61 Å) and one longer (2.68 Å) Mo(2)-As(2) bond length. Both Mo(2)-P(1) bond lengths are 2.49 Å. There are three inequivalent As sites. In the first As site, As(1) is bonded in a 8-coordinate geometry to two equivalent Mo(2), three equivalent Mo(1), and three equivalent As(2) atoms. There are two shorter (2.92 Å) and one longer (2.97 Å) As(1)-As(2) bond length. In the second As site, As(2) is bonded in a 8-coordinate geometry to two equivalent Mo(1), three equivalent Mo(2), and three equivalent As(1) atoms. In the third As site, As(3) is bonded in a 6-coordinate geometry to one Mo(2), two equivalent Mo(1), and three equivalent P(1) atoms. There is one shorter (2.38 Å) and two longer (2.73 Å) As(3)-P(1) bond lengths. P(1) is bonded in a 6-coordinate geometry to one Mo(1), two equivalent Mo(2), and three equivalent As(3) atoms.