U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Cs4Cu3F10 by Materials Project
Abstract
Cs4Cu3F10 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 2-coordinate geometry to two F1- atoms. There are one shorter (2.13 Å) and one longer (2.52 Å) Cs–F bond lengths. In the second Cs1+ site, Cs1+ is bonded in a distorted single-bond geometry to three F1- atoms. There are a spread of Cs–F bond distances ranging from 1.94–2.99 Å. There are two inequivalent Cu2+ sites. In the first Cu2+ site, Cu2+ is bonded in a 4-coordinate geometry to three F1- atoms. There are a spread of Cu–F bond distances ranging from 2.04–2.17 Å. In the second Cu2+ site, Cu2+ is bonded in a 4-coordinate geometry to four F1- atoms. There is two shorter (1.50 Å) and two longer (1.83 Å) Cu–F bond length. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted linear geometry to one Cs1+ and one Cu2+ atom. In the second F1- site, F1- is bonded in a 2-coordinate geometry to one Cs1+ and one Cu2+ atom. In the third F1- site, F1- is bonded in a distorted bent 150 degreesmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-505031
- 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; Cs4Cu3F10; Cs-Cu-F
- OSTI Identifier:
- 1262211
- DOI:
- https://doi.org/10.17188/1262211
Citation Formats
The Materials Project. Materials Data on Cs4Cu3F10 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1262211.
The Materials Project. Materials Data on Cs4Cu3F10 by Materials Project. United States. doi:https://doi.org/10.17188/1262211
The Materials Project. 2020.
"Materials Data on Cs4Cu3F10 by Materials Project". United States. doi:https://doi.org/10.17188/1262211. https://www.osti.gov/servlets/purl/1262211. Pub date:Fri Jul 17 00:00:00 EDT 2020
@article{osti_1262211,
title = {Materials Data on Cs4Cu3F10 by Materials Project},
author = {The Materials Project},
abstractNote = {Cs4Cu3F10 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 2-coordinate geometry to two F1- atoms. There are one shorter (2.13 Å) and one longer (2.52 Å) Cs–F bond lengths. In the second Cs1+ site, Cs1+ is bonded in a distorted single-bond geometry to three F1- atoms. There are a spread of Cs–F bond distances ranging from 1.94–2.99 Å. There are two inequivalent Cu2+ sites. In the first Cu2+ site, Cu2+ is bonded in a 4-coordinate geometry to three F1- atoms. There are a spread of Cu–F bond distances ranging from 2.04–2.17 Å. In the second Cu2+ site, Cu2+ is bonded in a 4-coordinate geometry to four F1- atoms. There is two shorter (1.50 Å) and two longer (1.83 Å) Cu–F bond length. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted linear geometry to one Cs1+ and one Cu2+ atom. In the second F1- site, F1- is bonded in a 2-coordinate geometry to one Cs1+ and one Cu2+ atom. In the third F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Cs1+, one Cu2+, and one F1- atom. The F–F bond length is 1.80 Å. In the fourth F1- site, F1- is bonded in a 1-coordinate geometry to one Cu2+ atom. In the fifth F1- site, F1- is bonded in a 6-coordinate geometry to two equivalent Cs1+, two equivalent Cu2+, and two equivalent F1- atoms. In the sixth F1- site, F1- is bonded in a linear geometry to two equivalent Cs1+ atoms.},
doi = {10.17188/1262211},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}