Materials Data on Tb2O3 by Materials Project

Dataset · Fri Jul 24 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1189358· OSTI ID:1189358

Tb2O3 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Tb3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Tb–O bond distances ranging from 2.23–2.60 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Tb3+ atoms to form OTb4 tetrahedra that share corners with six equivalent OTb6 octahedra, corners with six equivalent OTb4 tetrahedra, edges with three equivalent OTb6 octahedra, and edges with three equivalent OTb4 tetrahedra. The corner-sharing octahedra tilt angles range from 18–55°. In the second O2- site, O2- is bonded to six equivalent Tb3+ atoms to form OTb6 octahedra that share corners with twelve equivalent OTb4 tetrahedra, edges with six equivalent OTb6 octahedra, and edges with six equivalent OTb4 tetrahedra.

• 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: 1189358
• Report Number(s): mp-13063
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
O-Tb
Tb2O3
crystal structure