Materials Data on Tb3Ho by Materials Project

Dataset · Sat May 02 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1676895· OSTI ID:1676895

HoTb3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ho is bonded to twelve Tb atoms to form HoTb12 cuboctahedra that share corners with four equivalent HoTb12 cuboctahedra, corners with eight equivalent TbTb8Ho4 cuboctahedra, edges with eight equivalent HoTb12 cuboctahedra, edges with sixteen equivalent TbTb8Ho4 cuboctahedra, faces with four equivalent HoTb12 cuboctahedra, and faces with fourteen TbTb8Ho4 cuboctahedra. All Ho–Tb bond lengths are 3.55 Å. There are two inequivalent Tb sites. In the first Tb site, Tb is bonded to four equivalent Ho and eight Tb atoms to form TbTb8Ho4 cuboctahedra that share corners with twelve equivalent TbTb8Ho4 cuboctahedra, edges with eight equivalent HoTb12 cuboctahedra, edges with sixteen TbTb8Ho4 cuboctahedra, faces with four equivalent HoTb12 cuboctahedra, and faces with fourteen TbTb8Ho4 cuboctahedra. All Tb–Tb bond lengths are 3.55 Å. In the second Tb site, Tb is bonded to four equivalent Ho and eight equivalent Tb atoms to form TbTb8Ho4 cuboctahedra that share corners with four equivalent TbTb8Ho4 cuboctahedra, corners with eight equivalent HoTb12 cuboctahedra, edges with twenty-four TbTb8Ho4 cuboctahedra, faces with six equivalent HoTb12 cuboctahedra, and faces with twelve TbTb8Ho4 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: 1676895
• Report Number(s): mp-1187294
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Ho-Tb
Tb3Ho
crystal structure