Materials Data on TlFeO2 by Materials Project
Abstract
FeTlO2 is Cuprite-derived structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Fe3+ is bonded to four O2- atoms to form corner-sharing FeO4 tetrahedra. All Fe–O bond lengths are 1.87 Å. Tl1+ is bonded in a 12-coordinate geometry to four equivalent Tl1+ and twelve O2- atoms. There are one shorter (3.65 Å) and three longer (3.76 Å) Tl–Tl bond lengths. There are a spread of Tl–O bond distances ranging from 3.55–3.63 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to two equivalent Fe3+ and six equivalent Tl1+ atoms. In the second O2- site, O2- is bonded in a linear geometry to two equivalent Fe3+ and six equivalent Tl1+ atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1178920
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Research Org.:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; TlFeO2; Fe-O-Tl
- OSTI Identifier:
- 1672166
- DOI:
- https://doi.org/10.17188/1672166
Citation Formats
The Materials Project. Materials Data on TlFeO2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1672166.
The Materials Project. Materials Data on TlFeO2 by Materials Project. United States. doi:https://doi.org/10.17188/1672166
The Materials Project. 2020.
"Materials Data on TlFeO2 by Materials Project". United States. doi:https://doi.org/10.17188/1672166. https://www.osti.gov/servlets/purl/1672166. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1672166,
title = {Materials Data on TlFeO2 by Materials Project},
author = {The Materials Project},
abstractNote = {FeTlO2 is Cuprite-derived structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Fe3+ is bonded to four O2- atoms to form corner-sharing FeO4 tetrahedra. All Fe–O bond lengths are 1.87 Å. Tl1+ is bonded in a 12-coordinate geometry to four equivalent Tl1+ and twelve O2- atoms. There are one shorter (3.65 Å) and three longer (3.76 Å) Tl–Tl bond lengths. There are a spread of Tl–O bond distances ranging from 3.55–3.63 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to two equivalent Fe3+ and six equivalent Tl1+ atoms. In the second O2- site, O2- is bonded in a linear geometry to two equivalent Fe3+ and six equivalent Tl1+ atoms.},
doi = {10.17188/1672166},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}
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