U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Tl2CuF4 by Materials Project
Abstract
Tl2CuF4 is (La,Ba)CuO4 structured and crystallizes in the orthorhombic Fmm2 space group. The structure is three-dimensional. Cu2+ is bonded to six F1- atoms to form corner-sharing CuF6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are two shorter (1.96 Å) and four longer (2.10 Å) Cu–F bond lengths. Tl1+ is bonded in a distorted q6 geometry to nine F1- atoms. There are a spread of Tl–F bond distances ranging from 2.89–2.99 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to one Cu2+ and five equivalent Tl1+ atoms. In the second F1- site, F1- is bonded in a distorted linear geometry to two equivalent Cu2+ and four equivalent Tl1+ atoms.
- Publication Date:
- Other Number(s):
- mp-1025338
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; Cu-F-Tl; Tl2CuF4; crystal structure
- OSTI Identifier:
- 1355364
- DOI:
- https://doi.org/10.17188/1355364
Citation Formats
Materials Data on Tl2CuF4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1355364.
Materials Data on Tl2CuF4 by Materials Project. United States. doi:https://doi.org/10.17188/1355364
2020.
"Materials Data on Tl2CuF4 by Materials Project". United States. doi:https://doi.org/10.17188/1355364. https://www.osti.gov/servlets/purl/1355364. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1355364,
title = {Materials Data on Tl2CuF4 by Materials Project},
abstractNote = {Tl2CuF4 is (La,Ba)CuO4 structured and crystallizes in the orthorhombic Fmm2 space group. The structure is three-dimensional. Cu2+ is bonded to six F1- atoms to form corner-sharing CuF6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are two shorter (1.96 Å) and four longer (2.10 Å) Cu–F bond lengths. Tl1+ is bonded in a distorted q6 geometry to nine F1- atoms. There are a spread of Tl–F bond distances ranging from 2.89–2.99 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to one Cu2+ and five equivalent Tl1+ atoms. In the second F1- site, F1- is bonded in a distorted linear geometry to two equivalent Cu2+ and four equivalent Tl1+ atoms.},
doi = {10.17188/1355364},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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