U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on CuAuF5 by Materials Project
Abstract
CuFAuF4 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Au3+ is bonded in a square co-planar geometry to four F1- atoms. All Au–F bond lengths are 1.99 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 1.89–2.10 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a linear geometry to two equivalent Cu2+ atoms. In the second F1- site, F1- is bonded in a bent 150 degrees geometry to one Au3+ and one Cu2+ atom. In the third F1- site, F1- is bonded in a distorted bent 120 degrees geometry to one Au3+ and one Cu2+ atom.
- Publication Date:
- Other Number(s):
- mp-28376
- 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; Au-Cu-F; CuAuF5; crystal structure
- OSTI Identifier:
- 1202492
- DOI:
- https://doi.org/10.17188/1202492
Citation Formats
Materials Data on CuAuF5 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1202492.
Materials Data on CuAuF5 by Materials Project. United States. doi:https://doi.org/10.17188/1202492
2020.
"Materials Data on CuAuF5 by Materials Project". United States. doi:https://doi.org/10.17188/1202492. https://www.osti.gov/servlets/purl/1202492. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1202492,
title = {Materials Data on CuAuF5 by Materials Project},
abstractNote = {CuFAuF4 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Au3+ is bonded in a square co-planar geometry to four F1- atoms. All Au–F bond lengths are 1.99 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 1.89–2.10 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a linear geometry to two equivalent Cu2+ atoms. In the second F1- site, F1- is bonded in a bent 150 degrees geometry to one Au3+ and one Cu2+ atom. In the third F1- site, F1- is bonded in a distorted bent 120 degrees geometry to one Au3+ and one Cu2+ atom.},
doi = {10.17188/1202492},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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