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Title: Materials Data on PAuClF3 by Materials Project

Abstract

AuCl(PF3) crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four AuCl(PF3) clusters. Au1- is bonded in a linear geometry to one P5+ and one Cl1- atom. The Au–P bond length is 2.21 Å. The Au–Cl bond length is 2.30 Å. P5+ is bonded in a 4-coordinate geometry to one Au1- and three F1- atoms. There is one shorter (1.56 Å) and two longer (1.57 Å) P–F bond length. Cl1- is bonded in a distorted single-bond geometry to one Au1- atom. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one P5+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one P5+ atom.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-558523
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; PAuClF3; Au-Cl-F-P
OSTI Identifier:
1270374
DOI:
10.17188/1270374

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on PAuClF3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1270374.
Persson, Kristin, & Project, Materials. Materials Data on PAuClF3 by Materials Project. United States. doi:10.17188/1270374.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on PAuClF3 by Materials Project". United States. doi:10.17188/1270374. https://www.osti.gov/servlets/purl/1270374. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1270374,
title = {Materials Data on PAuClF3 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {AuCl(PF3) crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four AuCl(PF3) clusters. Au1- is bonded in a linear geometry to one P5+ and one Cl1- atom. The Au–P bond length is 2.21 Å. The Au–Cl bond length is 2.30 Å. P5+ is bonded in a 4-coordinate geometry to one Au1- and three F1- atoms. There is one shorter (1.56 Å) and two longer (1.57 Å) P–F bond length. Cl1- is bonded in a distorted single-bond geometry to one Au1- atom. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one P5+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one P5+ atom.},
doi = {10.17188/1270374},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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