Materials Data on UMn5Al7 by Materials Project

Dataset · Thu Jun 04 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1687949· OSTI ID:1687949

UMn5Al7 crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. U is bonded in a 12-coordinate geometry to ten Mn and ten Al atoms. There are a spread of U–Mn bond distances ranging from 3.10–3.44 Å. There are a spread of U–Al bond distances ranging from 2.93–3.21 Å. There are two inequivalent Mn sites. In the first Mn site, Mn is bonded in a 12-coordinate geometry to two equivalent U, three Mn, and seven Al atoms. There are a spread of Mn–Mn bond distances ranging from 2.34–2.62 Å. There are a spread of Mn–Al bond distances ranging from 2.50–2.67 Å. In the second Mn site, Mn is bonded in a distorted q6 geometry to two equivalent U, four equivalent Mn, and six Al atoms. There are a spread of Mn–Al bond distances ranging from 2.66–2.70 Å. There are five inequivalent Al sites. In the first Al site, Al is bonded in a 10-coordinate geometry to one U, four equivalent Mn, and five Al atoms. There are a spread of Al–Al bond distances ranging from 2.67–2.88 Å. In the second Al site, Al is bonded in a 10-coordinate geometry to one U, six Mn, and seven Al atoms. There are two shorter (2.88 Å) and four longer (3.08 Å) Al–Al bond lengths. In the third Al site, Al is bonded in a 12-coordinate geometry to one U, five Mn, and six Al atoms. There are a spread of Al–Al bond distances ranging from 2.73–2.87 Å. In the fourth Al site, Al is bonded in a 12-coordinate geometry to two equivalent U, four equivalent Mn, and six Al atoms. Both Al–Al bond lengths are 2.72 Å. In the fifth Al site, Al is bonded in a 12-coordinate geometry to two equivalent U, five Mn, and five Al 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: 1687949
• Report Number(s): mp-1216854
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Al-Mn-U
UMn5Al7
crystal structure