Materials Data on Yb3U by Materials Project

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

DOI:https://doi.org/10.17188/1316183· OSTI ID:1316183

UYb3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. U is bonded to twelve Yb atoms to form UYb12 cuboctahedra that share corners with four equivalent UYb12 cuboctahedra, corners with eight equivalent YbYb8U4 cuboctahedra, edges with eight equivalent UYb12 cuboctahedra, edges with sixteen equivalent YbYb8U4 cuboctahedra, faces with four equivalent UYb12 cuboctahedra, and faces with fourteen YbYb8U4 cuboctahedra. There are four shorter (3.65 Å) and eight longer (3.72 Å) U–Yb bond lengths. There are two inequivalent Yb sites. In the first Yb site, Yb is bonded to four equivalent U and eight Yb atoms to form YbYb8U4 cuboctahedra that share corners with twelve equivalent YbYb8U4 cuboctahedra, edges with eight equivalent UYb12 cuboctahedra, edges with sixteen YbYb8U4 cuboctahedra, faces with four equivalent UYb12 cuboctahedra, and faces with fourteen YbYb8U4 cuboctahedra. There are four shorter (3.65 Å) and four longer (3.72 Å) Yb–Yb bond lengths. In the second Yb site, Yb is bonded to four equivalent U and eight equivalent Yb atoms to form distorted YbYb8U4 cuboctahedra that share corners with four equivalent YbYb8U4 cuboctahedra, corners with eight equivalent UYb12 cuboctahedra, edges with twenty-four YbYb8U4 cuboctahedra, faces with six equivalent UYb12 cuboctahedra, and faces with twelve YbYb8U4 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: 1316183
• Report Number(s): mp-979951
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
U-Yb
Yb3U
crystal structure