U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on CuAgF3 by Materials Project
Abstract
AgCuF3 is Orthorhombic Perovskite structured and crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a 9-coordinate geometry to eight F1- atoms. There are a spread of Ag–F bond distances ranging from 2.46–2.90 Å. In the second Ag1+ site, Ag1+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of Ag–F bond distances ranging from 2.47–3.04 Å. There are four inequivalent Cu2+ sites. In the first Cu2+ site, Cu2+ is bonded to six F1- atoms to form corner-sharing CuF6 octahedra. The corner-sharing octahedra tilt angles range from 22–25°. There are a spread of Cu–F bond distances ranging from 1.96–2.15 Å. In the second Cu2+ site, Cu2+ is bonded to six F1- atoms to form corner-sharing CuF6 octahedra. The corner-sharing octahedra tilt angles range from 22–25°. There are a spread of Cu–F bond distances ranging from 1.95–2.15 Å. In the third Cu2+ site, Cu2+ is bonded to six F1- atoms to form corner-sharing CuF6 octahedra. The corner-sharing octahedra tilt angles range from 22–25°. There are a spread of Cu–F bond distances ranging from 1.95–2.17 Å. In the fourth Cu2+more »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1188802
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Research Org.:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; CuAgF3; Ag-Cu-F
- OSTI Identifier:
- 1707694
- DOI:
- https://doi.org/10.17188/1707694
Citation Formats
The Materials Project. Materials Data on CuAgF3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1707694.
The Materials Project. Materials Data on CuAgF3 by Materials Project. United States. doi:https://doi.org/10.17188/1707694
The Materials Project. 2020.
"Materials Data on CuAgF3 by Materials Project". United States. doi:https://doi.org/10.17188/1707694. https://www.osti.gov/servlets/purl/1707694. Pub date:Fri Jun 05 00:00:00 EDT 2020
@article{osti_1707694,
title = {Materials Data on CuAgF3 by Materials Project},
author = {The Materials Project},
abstractNote = {AgCuF3 is Orthorhombic Perovskite structured and crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a 9-coordinate geometry to eight F1- atoms. There are a spread of Ag–F bond distances ranging from 2.46–2.90 Å. In the second Ag1+ site, Ag1+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of Ag–F bond distances ranging from 2.47–3.04 Å. There are four inequivalent Cu2+ sites. In the first Cu2+ site, Cu2+ is bonded to six F1- atoms to form corner-sharing CuF6 octahedra. The corner-sharing octahedra tilt angles range from 22–25°. There are a spread of Cu–F bond distances ranging from 1.96–2.15 Å. In the second Cu2+ site, Cu2+ is bonded to six F1- atoms to form corner-sharing CuF6 octahedra. The corner-sharing octahedra tilt angles range from 22–25°. There are a spread of Cu–F bond distances ranging from 1.95–2.15 Å. In the third Cu2+ site, Cu2+ is bonded to six F1- atoms to form corner-sharing CuF6 octahedra. The corner-sharing octahedra tilt angles range from 22–25°. There are a spread of Cu–F bond distances ranging from 1.95–2.17 Å. In the fourth Cu2+ site, Cu2+ is bonded to six F1- atoms to form corner-sharing CuF6 octahedra. The corner-sharing octahedra tilt angles range from 22–25°. There are a spread of Cu–F bond distances ranging from 1.95–2.15 Å. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded in a 2-coordinate geometry to three Ag1+ and two Cu2+ atoms. In the second F1- site, F1- is bonded in a 5-coordinate geometry to three Ag1+ and two Cu2+ atoms. In the third F1- site, F1- is bonded in a 2-coordinate geometry to three Ag1+ and two Cu2+ atoms. In the fourth F1- site, F1- is bonded in a 5-coordinate geometry to three Ag1+ and two Cu2+ atoms. In the fifth F1- site, F1- is bonded in a 4-coordinate geometry to two Ag1+ and two Cu2+ atoms. In the sixth F1- site, F1- is bonded in a 4-coordinate geometry to three Ag1+ and two Cu2+ atoms.},
doi = {10.17188/1707694},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Fri Jun 05 00:00:00 EDT 2020},
month = {Fri Jun 05 00:00:00 EDT 2020}
}