Materials Data on Al2Mo3 by Materials Project
Mo3Al2 is beta Plutonium-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are six inequivalent Mo sites. In the first Mo site, Mo is bonded in a 3-coordinate geometry to four Mo and five Al atoms. There are a spread of Mo–Mo bond distances ranging from 2.54–2.78 Å. There are a spread of Mo–Al bond distances ranging from 2.70–3.20 Å. In the second Mo site, Mo is bonded in a 4-coordinate geometry to three Mo and five Al atoms. There are a spread of Mo–Mo bond distances ranging from 2.76–2.94 Å. There are a spread of Mo–Al bond distances ranging from 2.66–3.00 Å. In the third Mo site, Mo is bonded in a 2-coordinate geometry to three Mo and eight Al atoms. There are a spread of Mo–Mo bond distances ranging from 2.61–2.96 Å. There are a spread of Mo–Al bond distances ranging from 2.69–3.41 Å. In the fourth Mo site, Mo is bonded in a 11-coordinate geometry to five Mo and six Al atoms. There are one shorter (2.57 Å) and one longer (2.75 Å) Mo–Mo bond lengths. There are a spread of Mo–Al bond distances ranging from 2.72–3.00 Å. In the fifth Mo site, Mo is bonded in a 10-coordinate geometry to four Mo and six Al atoms. There are a spread of Mo–Al bond distances ranging from 2.66–2.89 Å. In the sixth Mo site, Mo is bonded in a 11-coordinate geometry to five Mo and six Al atoms. There are a spread of Mo–Al bond distances ranging from 2.68–3.06 Å. There are four inequivalent Al sites. In the first Al site, Al is bonded in a 12-coordinate geometry to eight Mo and four Al atoms. There are a spread of Al–Al bond distances ranging from 2.73–2.96 Å. In the second Al site, Al is bonded to ten Mo and two Al atoms to form a mixture of distorted face and corner-sharing AlAl2Mo10 cuboctahedra. The Al–Al bond length is 2.71 Å. In the third Al site, Al is bonded in a 12-coordinate geometry to ten Mo and two Al atoms. The Al–Al bond length is 2.69 Å. In the fourth Al site, Al is bonded in a 12-coordinate geometry to eight Mo and four Al atoms. The Al–Al bond length is 2.97 Å.