U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Ta2AgF12 by Materials Project
Abstract
Ta2AgF12 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one Ta2AgF12 sheet oriented in the (0, 0, 1) direction. Ta5+ is bonded to six F1- atoms to form TaF6 octahedra that share corners with three equivalent AgF6 octahedra. The corner-sharing octahedra tilt angles range from 32–37°. There are a spread of Ta–F bond distances ranging from 1.86–2.05 Å. Ag2+ is bonded to six F1- atoms to form AgF6 octahedra that share corners with six equivalent TaF6 octahedra. The corner-sharing octahedra tilt angles range from 32–37°. There are a spread of Ag–F bond distances ranging from 2.14–2.55 Å. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Ta5+ atom. In the second F1- site, F1- is bonded in a bent 150 degrees geometry to one Ta5+ and one Ag2+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Ta5+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Ta5+ atom. In the fifth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Ta5+ and one Ag2+ atom.more »
- Publication Date:
- Other Number(s):
- mp-28375
- 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; Ag-F-Ta; Ta2AgF12; crystal structure
- OSTI Identifier:
- 1202491
- DOI:
- https://doi.org/10.17188/1202491
Citation Formats
Materials Data on Ta2AgF12 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1202491.
Materials Data on Ta2AgF12 by Materials Project. United States. doi:https://doi.org/10.17188/1202491
2020.
"Materials Data on Ta2AgF12 by Materials Project". United States. doi:https://doi.org/10.17188/1202491. https://www.osti.gov/servlets/purl/1202491. Pub date:Fri Jul 17 04:00:00 UTC 2020
@article{osti_1202491,
title = {Materials Data on Ta2AgF12 by Materials Project},
abstractNote = {Ta2AgF12 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one Ta2AgF12 sheet oriented in the (0, 0, 1) direction. Ta5+ is bonded to six F1- atoms to form TaF6 octahedra that share corners with three equivalent AgF6 octahedra. The corner-sharing octahedra tilt angles range from 32–37°. There are a spread of Ta–F bond distances ranging from 1.86–2.05 Å. Ag2+ is bonded to six F1- atoms to form AgF6 octahedra that share corners with six equivalent TaF6 octahedra. The corner-sharing octahedra tilt angles range from 32–37°. There are a spread of Ag–F bond distances ranging from 2.14–2.55 Å. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Ta5+ atom. In the second F1- site, F1- is bonded in a bent 150 degrees geometry to one Ta5+ and one Ag2+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Ta5+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Ta5+ atom. In the fifth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Ta5+ and one Ag2+ atom. In the sixth F1- site, F1- is bonded in a bent 150 degrees geometry to one Ta5+ and one Ag2+ atom.},
doi = {10.17188/1202491},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}