Materials Data on AlGe3Mo2 by Materials Project

Dataset · Sun Jan 13 04:00:00 EST 2019

DOI:https://doi.org/10.17188/1699533· OSTI ID:1699533

Mo2AlGe3 is Titanium Disilicide-derived structured and crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are six inequivalent Mo sites. In the first Mo site, Mo is bonded in a 10-coordinate geometry to four Al and six Ge atoms. There are a spread of Mo–Al bond distances ranging from 2.66–2.81 Å. There are a spread of Mo–Ge bond distances ranging from 2.59–2.83 Å. In the second Mo site, Mo is bonded in a 10-coordinate geometry to three equivalent Al and seven Ge atoms. There are one shorter (2.79 Å) and two longer (2.81 Å) Mo–Al bond lengths. There are a spread of Mo–Ge bond distances ranging from 2.62–2.82 Å. In the third Mo site, Mo is bonded in a 10-coordinate geometry to four Al and six Ge atoms. There are a spread of Mo–Al bond distances ranging from 2.66–2.81 Å. There are a spread of Mo–Ge bond distances ranging from 2.60–2.81 Å. In the fourth Mo site, Mo is bonded in a 10-coordinate geometry to one Al and nine Ge atoms. The Mo–Al bond length is 2.68 Å. There are a spread of Mo–Ge bond distances ranging from 2.62–2.83 Å. In the fifth Mo site, Mo is bonded in a 10-coordinate geometry to two Al and eight Ge atoms. There are one shorter (2.64 Å) and one longer (2.66 Å) Mo–Al bond lengths. There are a spread of Mo–Ge bond distances ranging from 2.62–2.84 Å. In the sixth Mo site, Mo is bonded in a 10-coordinate geometry to one Al and nine Ge atoms. The Mo–Al bond length is 2.70 Å. There are a spread of Mo–Ge bond distances ranging from 2.62–2.84 Å. There are three inequivalent Al sites. In the first Al site, Al is bonded in a distorted q6 geometry to five Mo and five Ge atoms. There are a spread of Al–Ge bond distances ranging from 2.58–2.82 Å. In the second Al site, Al is bonded in a distorted q6 geometry to five Mo and five Ge atoms. There are a spread of Al–Ge bond distances ranging from 2.61–2.82 Å. In the third Al site, Al is bonded in a distorted q6 geometry to five Mo and five Ge atoms. There are a spread of Al–Ge bond distances ranging from 2.59–2.81 Å. There are nine inequivalent Ge sites. In the first Ge site, Ge is bonded in a 10-coordinate geometry to five Mo and five Ge atoms. There are a spread of Ge–Ge bond distances ranging from 2.64–2.83 Å. In the second Ge site, Ge is bonded in a 10-coordinate geometry to five Mo and five Ge atoms. There are a spread of Ge–Ge bond distances ranging from 2.65–2.84 Å. In the third Ge site, Ge is bonded in a 10-coordinate geometry to five Mo and five Ge atoms. There are a spread of Ge–Ge bond distances ranging from 2.67–2.85 Å. In the fourth Ge site, Ge is bonded in a 10-coordinate geometry to five Mo, four Al, and one Ge atom. In the fifth Ge site, Ge is bonded in a 10-coordinate geometry to five Mo, three equivalent Al, and two Ge atoms. In the sixth Ge site, Ge is bonded in a 10-coordinate geometry to five Mo, four Al, and one Ge atom. In the seventh Ge site, Ge is bonded in a 10-coordinate geometry to five Mo, one Al, and four Ge atoms. In the eighth Ge site, Ge is bonded in a 10-coordinate geometry to five Mo, two Al, and three equivalent Ge atoms. In the ninth Ge site, Ge is bonded in a 10-coordinate geometry to five Mo, one Al, and four Ge atoms.

• Research Organization: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
• Sponsoring Organization: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
• Contributing Organization: The Materials Project; MIT; UC Berkeley; Duke; U Louvain
• DOE Contract Number: AC02-05CH11231
• OSTI ID: 1699533
• Report Number(s): mp-1228992
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Al-Ge-Mo
AlGe3Mo2
crystal structure