Materials Data on YbSm3 by Materials Project

Dataset · Sat Jul 18 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1316205· OSTI ID:1316205

YbSm3 is alpha La-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Yb is bonded to twelve Sm atoms to form YbSm12 cuboctahedra that share corners with four equivalent YbSm12 cuboctahedra, corners with eight equivalent SmYb4Sm8 cuboctahedra, edges with eight equivalent YbSm12 cuboctahedra, edges with sixteen equivalent SmYb4Sm8 cuboctahedra, faces with four equivalent YbSm12 cuboctahedra, and faces with fourteen SmYb4Sm8 cuboctahedra. There are four shorter (3.65 Å) and eight longer (3.66 Å) Yb–Sm bond lengths. There are two inequivalent Sm sites. In the first Sm site, Sm is bonded to four equivalent Yb and eight Sm atoms to form SmYb4Sm8 cuboctahedra that share corners with twelve equivalent SmYb4Sm8 cuboctahedra, edges with eight equivalent YbSm12 cuboctahedra, edges with sixteen SmYb4Sm8 cuboctahedra, faces with four equivalent YbSm12 cuboctahedra, and faces with fourteen SmYb4Sm8 cuboctahedra. There are four shorter (3.65 Å) and four longer (3.66 Å) Sm–Sm bond lengths. In the second Sm site, Sm is bonded to four equivalent Yb and eight equivalent Sm atoms to form SmYb4Sm8 cuboctahedra that share corners with four equivalent SmYb4Sm8 cuboctahedra, corners with eight equivalent YbSm12 cuboctahedra, edges with twenty-four SmYb4Sm8 cuboctahedra, faces with six equivalent YbSm12 cuboctahedra, and faces with twelve SmYb4Sm8 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: 1316205
• Report Number(s): mp-979988
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Sm-Yb
YbSm3
crystal structure