Materials Data on YbTb3 by Materials Project

Dataset · Thu May 11 04:00:00 EDT 2017

DOI:https://doi.org/10.17188/1282255· OSTI ID:1282255

YbTb3 is Copper-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Yb is bonded to twelve Tb atoms to form YbTb12 cuboctahedra that share corners with four equivalent YbTb12 cuboctahedra, corners with eight equivalent TbTb8Yb4 cuboctahedra, edges with eight equivalent YbTb12 cuboctahedra, edges with sixteen equivalent TbTb8Yb4 cuboctahedra, faces with four equivalent YbTb12 cuboctahedra, and faces with fourteen TbTb8Yb4 cuboctahedra. There are four shorter (3.59 Å) and eight longer (3.60 Å) Yb–Tb bond lengths. There are two inequivalent Tb sites. In the first Tb site, Tb is bonded to four equivalent Yb and eight Tb atoms to form TbTb8Yb4 cuboctahedra that share corners with twelve equivalent TbTb8Yb4 cuboctahedra, edges with eight equivalent YbTb12 cuboctahedra, edges with sixteen TbTb8Yb4 cuboctahedra, faces with four equivalent YbTb12 cuboctahedra, and faces with fourteen TbTb8Yb4 cuboctahedra. There are four shorter (3.59 Å) and four longer (3.60 Å) Tb–Tb bond lengths. In the second Tb site, Tb is bonded to four equivalent Yb and eight equivalent Tb atoms to form TbTb8Yb4 cuboctahedra that share corners with four equivalent TbTb8Yb4 cuboctahedra, corners with eight equivalent YbTb12 cuboctahedra, edges with twenty-four TbTb8Yb4 cuboctahedra, faces with six equivalent YbTb12 cuboctahedra, and faces with twelve TbTb8Yb4 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: 1282255
• Report Number(s): mp-972411
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Tb-Yb
YbTb3
crystal structure