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Title: 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; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; PAuCl4; Au-Cl-P
OSTI Identifier:
1199449
DOI:
https://doi.org/10.17188/1199449

Citation Formats

The Materials Project. Materials Data on PAuCl4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1199449.
The Materials Project. Materials Data on PAuCl4 by Materials Project. United States. doi:https://doi.org/10.17188/1199449
The Materials Project. 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 00:00:00 EDT 2020
@article{osti_1199449,
title = {Materials Data on PAuCl4 by Materials Project},
author = {The 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}
}