U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Cs2CuF4 by Materials Project
Abstract
Cs2CuF4 is (La,Ba)CuO4 structured and crystallizes in the orthorhombic Fmm2 space group. The structure is three-dimensional. Cs1+ is bonded in a distorted q6 geometry to nine F1- atoms. There are a spread of Cs–F bond distances ranging from 3.01–3.15 Å. Cu2+ is bonded to six F1- atoms to form corner-sharing CuF6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are a spread of Cu–F bond distances ranging from 1.94–2.19 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to five equivalent Cs1+ and one Cu2+ atom. In the second F1- site, F1- is bonded to four equivalent Cs1+ and two equivalent Cu2+ atoms to form a mixture of distorted face, edge, and corner-sharing FCs4Cu2 octahedra. The corner-sharing octahedral tilt angles are 0°.
- Publication Date:
- Other Number(s):
- mp-1025265
- 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-Cu-F; Cs2CuF4; crystal structure
- OSTI Identifier:
- 1355361
- DOI:
- https://doi.org/10.17188/1355361
Citation Formats
Materials Data on Cs2CuF4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1355361.
Materials Data on Cs2CuF4 by Materials Project. United States. doi:https://doi.org/10.17188/1355361
2020.
"Materials Data on Cs2CuF4 by Materials Project". United States. doi:https://doi.org/10.17188/1355361. https://www.osti.gov/servlets/purl/1355361. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1355361,
title = {Materials Data on Cs2CuF4 by Materials Project},
abstractNote = {Cs2CuF4 is (La,Ba)CuO4 structured and crystallizes in the orthorhombic Fmm2 space group. The structure is three-dimensional. Cs1+ is bonded in a distorted q6 geometry to nine F1- atoms. There are a spread of Cs–F bond distances ranging from 3.01–3.15 Å. Cu2+ is bonded to six F1- atoms to form corner-sharing CuF6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are a spread of Cu–F bond distances ranging from 1.94–2.19 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to five equivalent Cs1+ and one Cu2+ atom. In the second F1- site, F1- is bonded to four equivalent Cs1+ and two equivalent Cu2+ atoms to form a mixture of distorted face, edge, and corner-sharing FCs4Cu2 octahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1355361},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}