U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on CsFeF3 by Materials Project
Abstract
CsFeF3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent F1- atoms to form CsF12 cuboctahedra that share corners with twelve equivalent CsF12 cuboctahedra, faces with six equivalent CsF12 cuboctahedra, and faces with eight equivalent FeF6 octahedra. All Cs–F bond lengths are 3.05 Å. Fe2+ is bonded to six equivalent F1- atoms to form FeF6 octahedra that share corners with six equivalent FeF6 octahedra and faces with eight equivalent CsF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Fe–F bond lengths are 2.16 Å. F1- is bonded in a distorted linear geometry to four equivalent Cs1+ and two equivalent Fe2+ atoms.
- Publication Date:
- Other Number(s):
- mp-558694
- 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; Cs-F-Fe; CsFeF3; crystal structure
- OSTI Identifier:
- 1270454
- DOI:
- https://doi.org/10.17188/1270454
Citation Formats
Materials Data on CsFeF3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1270454.
Materials Data on CsFeF3 by Materials Project. United States. doi:https://doi.org/10.17188/1270454
2020.
"Materials Data on CsFeF3 by Materials Project". United States. doi:https://doi.org/10.17188/1270454. https://www.osti.gov/servlets/purl/1270454. Pub date:Mon Aug 03 04:00:00 UTC 2020
@article{osti_1270454,
title = {Materials Data on CsFeF3 by Materials Project},
abstractNote = {CsFeF3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent F1- atoms to form CsF12 cuboctahedra that share corners with twelve equivalent CsF12 cuboctahedra, faces with six equivalent CsF12 cuboctahedra, and faces with eight equivalent FeF6 octahedra. All Cs–F bond lengths are 3.05 Å. Fe2+ is bonded to six equivalent F1- atoms to form FeF6 octahedra that share corners with six equivalent FeF6 octahedra and faces with eight equivalent CsF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Fe–F bond lengths are 2.16 Å. F1- is bonded in a distorted linear geometry to four equivalent Cs1+ and two equivalent Fe2+ atoms.},
doi = {10.17188/1270454},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {8}
}