U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on ZnCuF4 by Materials Project
Abstract
CuZnF4 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are two inequivalent Cu2+ sites. In the first Cu2+ site, Cu2+ is bonded in a rectangular see-saw-like geometry to four F1- atoms. All Cu–F bond lengths are 1.92 Å. In the second Cu2+ site, Cu2+ is bonded in a rectangular see-saw-like geometry to four F1- atoms. All Cu–F bond lengths are 1.92 Å. There are two inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Zn–F bond distances ranging from 2.18–2.27 Å. In the second Zn2+ site, Zn2+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Zn–F bond distances ranging from 2.16–2.26 Å. There are eight inequivalent F1- sites. In the first F1- site, F1- is bonded in a 3-coordinate geometry to one Cu2+ and two Zn2+ atoms. In the second F1- site, F1- is bonded in a distorted trigonal planar geometry to one Cu2+ and two Zn2+ atoms. In the third F1- site, F1- is bonded in a 3-coordinate geometry to one Cu2+ and two Zn2+ atoms. In the fourth F1- site, F1- ismore »
- Publication Date:
- Other Number(s):
- mvc-14182
- 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; Cu-F-Zn; ZnCuF4; crystal structure
- OSTI Identifier:
- 1319061
- DOI:
- https://doi.org/10.17188/1319061
Citation Formats
Materials Data on ZnCuF4 by Materials Project. United States: N. p., 2014.
Web. doi:10.17188/1319061.
Materials Data on ZnCuF4 by Materials Project. United States. doi:https://doi.org/10.17188/1319061
2014.
"Materials Data on ZnCuF4 by Materials Project". United States. doi:https://doi.org/10.17188/1319061. https://www.osti.gov/servlets/purl/1319061. Pub date:Wed Feb 05 23:00:00 EST 2014
@article{osti_1319061,
title = {Materials Data on ZnCuF4 by Materials Project},
abstractNote = {CuZnF4 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are two inequivalent Cu2+ sites. In the first Cu2+ site, Cu2+ is bonded in a rectangular see-saw-like geometry to four F1- atoms. All Cu–F bond lengths are 1.92 Å. In the second Cu2+ site, Cu2+ is bonded in a rectangular see-saw-like geometry to four F1- atoms. All Cu–F bond lengths are 1.92 Å. There are two inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Zn–F bond distances ranging from 2.18–2.27 Å. In the second Zn2+ site, Zn2+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Zn–F bond distances ranging from 2.16–2.26 Å. There are eight inequivalent F1- sites. In the first F1- site, F1- is bonded in a 3-coordinate geometry to one Cu2+ and two Zn2+ atoms. In the second F1- site, F1- is bonded in a distorted trigonal planar geometry to one Cu2+ and two Zn2+ atoms. In the third F1- site, F1- is bonded in a 3-coordinate geometry to one Cu2+ and two Zn2+ atoms. In the fourth F1- site, F1- is bonded in a 3-coordinate geometry to one Cu2+ and two Zn2+ atoms. In the fifth F1- site, F1- is bonded in a 3-coordinate geometry to one Cu2+ and two Zn2+ atoms. In the sixth F1- site, F1- is bonded in a distorted trigonal planar geometry to one Cu2+ and two Zn2+ atoms. In the seventh F1- site, F1- is bonded in a 3-coordinate geometry to one Cu2+ and two Zn2+ atoms. In the eighth F1- site, F1- is bonded in a 3-coordinate geometry to one Cu2+ and two Zn2+ atoms.},
doi = {10.17188/1319061},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2014},
month = {2}
}