U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Cs2P3 by Materials Project
Abstract
Cs2P3 crystallizes in the orthorhombic Fmmm space group. The structure is three-dimensional. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 8-coordinate geometry to eight P+0.67- atoms. There are four shorter (3.78 Å) and four longer (3.86 Å) Cs–P bond lengths. In the second Cs1+ site, Cs1+ is bonded in a 10-coordinate geometry to ten P+0.67- atoms. There are a spread of Cs–P bond distances ranging from 3.59–3.82 Å. There are two inequivalent P+0.67- sites. In the first P+0.67- site, P+0.67- is bonded in a 8-coordinate geometry to six Cs1+ and two P+0.67- atoms. Both P–P bond lengths are 2.17 Å. In the second P+0.67- site, P+0.67- is bonded in a 2-coordinate geometry to six Cs1+ and two equivalent P+0.67- atoms.
- Publication Date:
- Other Number(s):
- mp-14652
- 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-P; Cs2P3; crystal structure
- OSTI Identifier:
- 1190826
- DOI:
- https://doi.org/10.17188/1190826
Citation Formats
Materials Data on Cs2P3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1190826.
Materials Data on Cs2P3 by Materials Project. United States. doi:https://doi.org/10.17188/1190826
2020.
"Materials Data on Cs2P3 by Materials Project". United States. doi:https://doi.org/10.17188/1190826. https://www.osti.gov/servlets/purl/1190826. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1190826,
title = {Materials Data on Cs2P3 by Materials Project},
abstractNote = {Cs2P3 crystallizes in the orthorhombic Fmmm space group. The structure is three-dimensional. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 8-coordinate geometry to eight P+0.67- atoms. There are four shorter (3.78 Å) and four longer (3.86 Å) Cs–P bond lengths. In the second Cs1+ site, Cs1+ is bonded in a 10-coordinate geometry to ten P+0.67- atoms. There are a spread of Cs–P bond distances ranging from 3.59–3.82 Å. There are two inequivalent P+0.67- sites. In the first P+0.67- site, P+0.67- is bonded in a 8-coordinate geometry to six Cs1+ and two P+0.67- atoms. Both P–P bond lengths are 2.17 Å. In the second P+0.67- site, P+0.67- is bonded in a 2-coordinate geometry to six Cs1+ and two equivalent P+0.67- atoms.},
doi = {10.17188/1190826},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}