U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on PAuCl4 by Materials Project
Abstract
Cl3PAuCl crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four Cl3PAuCl clusters. Au1- is bonded in a linear geometry to one P5+ and one Cl1- atom. The Au–P bond length is 2.24 Å. The Au–Cl bond length is 2.30 Å. P5+ is bonded in a tetrahedral geometry to one Au1- and three Cl1- atoms. All P–Cl bond lengths are 2.02 Å. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one P5+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Au1- atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one P5+ atom. In the fourth Cl1- site, Cl1- is bonded in a single-bond geometry to one P5+ atom.
- Publication Date:
- Other Number(s):
- mp-23355
- 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-Cl-P; PAuCl4; crystal structure
- OSTI Identifier:
- 1199449
- DOI:
- https://doi.org/10.17188/1199449
Citation Formats
Materials Data on PAuCl4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1199449.
Materials Data on PAuCl4 by Materials Project. United States. doi:https://doi.org/10.17188/1199449
2020.
"Materials Data on PAuCl4 by Materials Project". United States. doi:https://doi.org/10.17188/1199449. https://www.osti.gov/servlets/purl/1199449. Pub date:Sat Jul 18 04:00:00 UTC 2020
@article{osti_1199449,
title = {Materials Data on PAuCl4 by Materials Project},
abstractNote = {Cl3PAuCl crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four Cl3PAuCl clusters. Au1- is bonded in a linear geometry to one P5+ and one Cl1- atom. The Au–P bond length is 2.24 Å. The Au–Cl bond length is 2.30 Å. P5+ is bonded in a tetrahedral geometry to one Au1- and three Cl1- atoms. All P–Cl bond lengths are 2.02 Å. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one P5+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Au1- atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one P5+ atom. In the fourth Cl1- site, Cl1- is bonded in a single-bond geometry to one P5+ atom.},
doi = {10.17188/1199449},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}