Materials Data on AcLa3 by Materials Project

Dataset · Thu Jul 23 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1316643· OSTI ID:1316643

AcLa3 is Copper-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ac is bonded to twelve La atoms to form AcLa12 cuboctahedra that share corners with four equivalent AcLa12 cuboctahedra, corners with eight equivalent LaAc4La8 cuboctahedra, edges with eight equivalent AcLa12 cuboctahedra, edges with sixteen equivalent LaAc4La8 cuboctahedra, faces with four equivalent AcLa12 cuboctahedra, and faces with fourteen LaAc4La8 cuboctahedra. There are four shorter (3.80 Å) and eight longer (3.81 Å) Ac–La bond lengths. There are two inequivalent La sites. In the first La site, La is bonded to four equivalent Ac and eight La atoms to form LaAc4La8 cuboctahedra that share corners with twelve equivalent LaAc4La8 cuboctahedra, edges with eight equivalent AcLa12 cuboctahedra, edges with sixteen LaAc4La8 cuboctahedra, faces with four equivalent AcLa12 cuboctahedra, and faces with fourteen LaAc4La8 cuboctahedra. There are four shorter (3.80 Å) and four longer (3.81 Å) La–La bond lengths. In the second La site, La is bonded to four equivalent Ac and eight equivalent La atoms to form LaAc4La8 cuboctahedra that share corners with four equivalent LaAc4La8 cuboctahedra, corners with eight equivalent AcLa12 cuboctahedra, edges with twenty-four LaAc4La8 cuboctahedra, faces with six equivalent AcLa12 cuboctahedra, and faces with twelve LaAc4La8 cuboctahedra.

• 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: 1316643
• Report Number(s): mp-985059
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Ac-La
AcLa3
crystal structure