Mo is beta Plutonium-like structured and crystallizes in the monoclinic P2_1 space group. There are eight inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 10-coordinate geometry to one Mo(3), one Mo(4), one Mo(5), two equivalent Mo(1), three equivalent Mo(2), and three equivalent Mo(8) atoms. In the second Mo site, Mo(2) is bonded in a 10-coordinate geometry to one Mo(3), one Mo(4), one Mo(8), two equivalent Mo(2), three equivalent Mo(1), and three equivalent Mo(5) atoms. In the third Mo site, Mo(3) is bonded in a 12-coordinate geometry to one Mo(1), one Mo(2), one Mo(8), two equivalent Mo(4), two equivalent Mo(5), two equivalent Mo(7), and three equivalent Mo(6) atoms. In the fourth Mo site, Mo(4) is bonded in a 12-coordinate geometry to one Mo(1), one Mo(2), one Mo(5), two equivalent Mo(3), two equivalent Mo(6), two equivalent Mo(8), and three equivalent Mo(7) atoms. In the fifth Mo site, Mo(5) is bonded in a 11-coordinate geometry to one Mo(1), one Mo(4), one Mo(6), one Mo(7), two equivalent Mo(3), two equivalent Mo(8), and three equivalent Mo(2) atoms. In the sixth Mo site, Mo(6) is bonded in a 13-coordinate geometry to one Mo(5), one Mo(8), two equivalent Mo(4), two equivalent Mo(6), three equivalent Mo(3), and four equivalent Mo(7) atoms. In the seventh Mo site, Mo(7) is bonded in a 13-coordinate geometry to one Mo(5), one Mo(8), two equivalent Mo(3), two equivalent Mo(7), three equivalent Mo(4), and four equivalent Mo(6) atoms. In the eighth Mo site, Mo(8) is bonded in a 8-coordinate geometry to one Mo(2), one Mo(3), one Mo(6), one Mo(7), two equivalent Mo(4), two equivalent Mo(5), and three equivalent Mo(1) atoms.
Mo is beta Plutonium-like structured and crystallizes in the monoclinic P2_1 space group. There are eight inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 10-coordinate geometry to one Mo(3), one Mo(4), one Mo(5), two equivalent Mo(1), three equivalent Mo(2), and three equivalent Mo(8) atoms. The Mo(1)-Mo(3) bond length is 3.17 Å. The Mo(1)-Mo(4) bond length is 2.63 Å. The Mo(1)-Mo(5) bond length is 2.78 Å. Both Mo(1)-Mo(1) bond lengths are 2.91 Å. There are a spread of Mo(1)-Mo(2) bond distances ranging from 2.79-2.84 Å. There are a spread of Mo(1)-Mo(8) bond distances ranging from 2.64-3.01 Å. In the second Mo site, Mo(2) is bonded in a 10-coordinate geometry to one Mo(3), one Mo(4), one Mo(8), two equivalent Mo(2), three equivalent Mo(1), and three equivalent Mo(5) atoms. The Mo(2)-Mo(3) bond length is 2.62 Å. The Mo(2)-Mo(4) bond length is 3.13 Å. The Mo(2)-Mo(8) bond length is 2.80 Å. Both Mo(2)-Mo(2) bond lengths are 2.90 Å. There are a spread of Mo(2)-Mo(5) bond distances ranging from 2.61-2.96 Å. In the third Mo site, Mo(3) is bonded in a 12-coordinate geometry to one Mo(1), one Mo(2), one Mo(8), two equivalent Mo(4), two equivalent Mo(5), two equivalent Mo(7), and three equivalent Mo(6) atoms. The Mo(3)-Mo(8) bond length is 2.83 Å. There is one shorter (2.68 Å) and one longer (2.70 Å) Mo(3)-Mo(4) bond length. There is one shorter (2.83 Å) and one longer (2.98 Å) Mo(3)-Mo(5) bond length. There is one shorter (2.94 Å) and one longer (3.10 Å) Mo(3)-Mo(7) bond length. There are a spread of Mo(3)-Mo(6) bond distances ranging from 2.74-3.11 Å. In the fourth Mo site, Mo(4) is bonded in a 12-coordinate geometry to one Mo(1), one Mo(2), one Mo(5), two equivalent Mo(3), two equivalent Mo(6), two equivalent Mo(8), and three equivalent Mo(7) atoms. The Mo(4)-Mo(5) bond length is 2.84 Å. There is one shorter (2.94 Å) and one longer (3.09 Å) Mo(4)-Mo(6) bond length. There is one shorter (2.78 Å) and one longer (3.02 Å) Mo(4)-Mo(8) bond length. There are a spread of Mo(4)-Mo(7) bond distances ranging from 2.71-3.13 Å. In the fifth Mo site, Mo(5) is bonded in a 11-coordinate geometry to one Mo(1), one Mo(4), one Mo(6), one Mo(7), two equivalent Mo(3), two equivalent Mo(8), and three equivalent Mo(2) atoms. The Mo(5)-Mo(6) bond length is 2.66 Å. The Mo(5)-Mo(7) bond length is 3.07 Å. There is one shorter (2.76 Å) and one longer (2.79 Å) Mo(5)-Mo(8) bond length. In the sixth Mo site, Mo(6) is bonded in a 13-coordinate geometry to one Mo(5), one Mo(8), two equivalent Mo(4), two equivalent Mo(6), three equivalent Mo(3), and four equivalent Mo(7) atoms. The Mo(6)-Mo(8) bond length is 3.09 Å. Both Mo(6)-Mo(6) bond lengths are 3.34 Å. There are a spread of Mo(6)-Mo(7) bond distances ranging from 2.57-3.46 Å. In the seventh Mo site, Mo(7) is bonded in a 13-coordinate geometry to one Mo(5), one Mo(8), two equivalent Mo(3), two equivalent Mo(7), three equivalent Mo(4), and four equivalent Mo(6) atoms. The Mo(7)-Mo(8) bond length is 2.65 Å. Both Mo(7)-Mo(7) bond lengths are 3.34 Å. In the eighth Mo site, Mo(8) is bonded in a 8-coordinate geometry to one Mo(2), one Mo(3), one Mo(6), one Mo(7), two equivalent Mo(4), two equivalent Mo(5), and three equivalent Mo(1) atoms.