Materials Data on Tl2O3 by Materials Project
Tl2O3 is Corundum-like structured and crystallizes in the cubic Ia-3 space group. The structure is three-dimensional. there are two inequivalent Tl3+ sites. In the first Tl3+ site, Tl3+ is bonded to six equivalent O2- atoms to form a mixture of distorted edge and corner-sharing TlO6 octahedra. The corner-sharing octahedra tilt angles range from 54–56°. There are a spread of Tl–O bond distances ranging from 2.26–2.36 Å. In the second Tl3+ site, Tl3+ is bonded to six equivalent O2- atoms to form a mixture of edge and corner-sharing TlO6 octahedra. The corner-sharing octahedral tilt angles are 54°. All Tl–O bond lengths are 2.31 Å. O2- is bonded to four Tl3+ atoms to form a mixture of distorted edge and corner-sharing OTl4 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:
- 1192040
- Report Number(s):
- mp-1658
- Country of Publication:
- United States
- Language:
- English
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