Materials Data on Tm(Al2Cu)4 by Materials Project

Dataset · Wed Jul 15 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1311045· OSTI ID:1311045

Tm(CuAl2)4 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Tm is bonded in a 12-coordinate geometry to eight equivalent Cu and twelve Al atoms. All Tm–Cu bond lengths are 3.36 Å. There are four shorter (3.05 Å) and eight longer (3.20 Å) Tm–Al bond lengths. Cu is bonded in a 12-coordinate geometry to two equivalent Tm, two equivalent Cu, and eight Al atoms. Both Cu–Cu bond lengths are 2.56 Å. There are four shorter (2.56 Å) and four longer (2.68 Å) Cu–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 12-coordinate geometry to two equivalent Tm, four equivalent Cu, and four equivalent Al atoms. There are two shorter (2.80 Å) and two longer (2.82 Å) Al–Al bond lengths. In the second Al site, Al is bonded in a 10-coordinate geometry to one Tm, four equivalent Cu, and five Al atoms. The Al–Al bond length is 2.68 Å.

• 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: 1311045
• Report Number(s): mp-865864
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Al-Cu-Tm
Tm(Al2Cu)4
crystal structure