Materials Data on YbTm3 by Materials Project

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

DOI:https://doi.org/10.17188/1272967· OSTI ID:1272967

YbTm3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Yb is bonded to twelve Tm atoms to form YbTm12 cuboctahedra that share corners with four equivalent YbTm12 cuboctahedra, corners with eight equivalent TmYb4Tm8 cuboctahedra, edges with eight equivalent YbTm12 cuboctahedra, edges with sixteen equivalent TmYb4Tm8 cuboctahedra, faces with four equivalent YbTm12 cuboctahedra, and faces with fourteen TmYb4Tm8 cuboctahedra. There are four shorter (3.53 Å) and eight longer (3.55 Å) Yb–Tm bond lengths. There are two inequivalent Tm sites. In the first Tm site, Tm is bonded to four equivalent Yb and eight Tm atoms to form TmYb4Tm8 cuboctahedra that share corners with twelve equivalent TmYb4Tm8 cuboctahedra, edges with eight equivalent YbTm12 cuboctahedra, edges with sixteen TmYb4Tm8 cuboctahedra, faces with four equivalent YbTm12 cuboctahedra, and faces with fourteen TmYb4Tm8 cuboctahedra. There are four shorter (3.53 Å) and four longer (3.55 Å) Tm–Tm bond lengths. In the second Tm site, Tm is bonded to four equivalent Yb and eight equivalent Tm atoms to form TmYb4Tm8 cuboctahedra that share corners with four equivalent TmYb4Tm8 cuboctahedra, corners with eight equivalent YbTm12 cuboctahedra, edges with twenty-four TmYb4Tm8 cuboctahedra, faces with six equivalent YbTm12 cuboctahedra, and faces with twelve TmYb4Tm8 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: 1272967
• Report Number(s): mp-980196
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Tm-Yb
YbTm3
crystal structure