U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Tl2CoF4 by Materials Project
Abstract
Tl2CoF4 is (La,Ba)CuO4 structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Co2+ is bonded to six F1- atoms to form corner-sharing CoF6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are two shorter (2.01 Å) and four longer (2.09 Å) Co–F bond lengths. Tl1+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are five shorter (2.94 Å) and four longer (2.96 Å) Tl–F bond lengths. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted linear geometry to two equivalent Co2+ and four equivalent Tl1+ atoms. In the second F1- site, F1- is bonded to one Co2+ and five equivalent Tl1+ atoms to form a mixture of distorted edge and corner-sharing FTl5Co octahedra. The corner-sharing octahedra tilt angles range from 0–2°.
- Publication Date:
- Other Number(s):
- mp-1206757
- 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; Co-F-Tl; Tl2CoF4; crystal structure
- OSTI Identifier:
- 1705296
- DOI:
- https://doi.org/10.17188/1705296
Citation Formats
Materials Data on Tl2CoF4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1705296.
Materials Data on Tl2CoF4 by Materials Project. United States. doi:https://doi.org/10.17188/1705296
2020.
"Materials Data on Tl2CoF4 by Materials Project". United States. doi:https://doi.org/10.17188/1705296. https://www.osti.gov/servlets/purl/1705296. Pub date:Sun May 03 04:00:00 UTC 2020
@article{osti_1705296,
title = {Materials Data on Tl2CoF4 by Materials Project},
abstractNote = {Tl2CoF4 is (La,Ba)CuO4 structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Co2+ is bonded to six F1- atoms to form corner-sharing CoF6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are two shorter (2.01 Å) and four longer (2.09 Å) Co–F bond lengths. Tl1+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are five shorter (2.94 Å) and four longer (2.96 Å) Tl–F bond lengths. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted linear geometry to two equivalent Co2+ and four equivalent Tl1+ atoms. In the second F1- site, F1- is bonded to one Co2+ and five equivalent Tl1+ atoms to form a mixture of distorted edge and corner-sharing FTl5Co octahedra. The corner-sharing octahedra tilt angles range from 0–2°.},
doi = {10.17188/1705296},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}