Materials Data on Tb2O3 by Materials Project
Tb2O3 is Corundum-like structured and crystallizes in the cubic Ia-3 space group. The structure is three-dimensional. there are two inequivalent Tb3+ sites. In the first Tb3+ site, Tb3+ is bonded to six equivalent O2- atoms to form a mixture of distorted edge and corner-sharing TbO6 octahedra. The corner-sharing octahedra tilt angles range from 54–56°. There are a spread of Tb–O bond distances ranging from 2.28–2.37 Å. In the second Tb3+ site, Tb3+ is bonded to six equivalent O2- atoms to form a mixture of edge and corner-sharing TbO6 octahedra. The corner-sharing octahedral tilt angles are 56°. All Tb–O bond lengths are 2.31 Å. O2- is bonded to four Tb3+ atoms to form a mixture of distorted edge and corner-sharing OTb4 trigonal pyramids.
- 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:
- 1187201
- Report Number(s):
- mp-1056
- Country of Publication:
- United States
- Language:
- English
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