U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on CsAs4F13 by Materials Project
Abstract
CsAs4F13 crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. Cs1+ is bonded in a 12-coordinate geometry to twelve F1- atoms. There are a spread of Cs–F bond distances ranging from 3.08–3.58 Å. As3+ is bonded in a distorted rectangular see-saw-like geometry to four F1- atoms. There are a spread of As–F bond distances ranging from 1.78–2.48 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Cs1+ and one As3+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Cs1+ and one As3+ atom. In the third F1- site, F1- is bonded in a tetrahedral geometry to four equivalent As3+ atoms. In the fourth F1- site, F1- is bonded in a distorted single-bond geometry to one Cs1+ and one As3+ atom.
- Publication Date:
- Other Number(s):
- mp-30927
- 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; As-Cs-F; CsAs4F13; crystal structure
- OSTI Identifier:
- 1205269
- DOI:
- https://doi.org/10.17188/1205269
Citation Formats
Materials Data on CsAs4F13 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1205269.
Materials Data on CsAs4F13 by Materials Project. United States. doi:https://doi.org/10.17188/1205269
2020.
"Materials Data on CsAs4F13 by Materials Project". United States. doi:https://doi.org/10.17188/1205269. https://www.osti.gov/servlets/purl/1205269. Pub date:Wed Jul 15 04:00:00 UTC 2020
@article{osti_1205269,
title = {Materials Data on CsAs4F13 by Materials Project},
abstractNote = {CsAs4F13 crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. Cs1+ is bonded in a 12-coordinate geometry to twelve F1- atoms. There are a spread of Cs–F bond distances ranging from 3.08–3.58 Å. As3+ is bonded in a distorted rectangular see-saw-like geometry to four F1- atoms. There are a spread of As–F bond distances ranging from 1.78–2.48 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Cs1+ and one As3+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Cs1+ and one As3+ atom. In the third F1- site, F1- is bonded in a tetrahedral geometry to four equivalent As3+ atoms. In the fourth F1- site, F1- is bonded in a distorted single-bond geometry to one Cs1+ and one As3+ atom.},
doi = {10.17188/1205269},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}