skip to main content
DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on P10Au7I by Materials Project

Abstract

(AuP2)2Au5P6I crystallizes in the trigonal P-31m space group. The structure is three-dimensional and consists of two AuP2 clusters and one Au5P6I framework. In each AuP2 cluster, Au+0.14- is bonded in a linear geometry to two equivalent P+0.20+ atoms. Both Au–P bond lengths are 2.35 Å. P+0.20+ is bonded in a single-bond geometry to one Au+0.14- atom. In the Au5P6I framework, there are two inequivalent Au+0.14- sites. In the first Au+0.14- site, Au+0.14- is bonded to three equivalent P+0.20+ and one I1- atom to form distorted corner-sharing AuP3I trigonal pyramids. All Au–P bond lengths are 2.38 Å. The Au–I bond length is 3.10 Å. In the second Au+0.14- site, Au+0.14- is bonded in a linear geometry to two equivalent P+0.20+ atoms. Both Au–P bond lengths are 2.37 Å. P+0.20+ is bonded in a bent 120 degrees geometry to two Au+0.14- atoms. I1- is bonded in a linear geometry to two equivalent Au+0.14- atoms.

Publication Date:
Other Number(s):
mp-570238
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; P10Au7I; Au-I-P
OSTI Identifier:
1275596
DOI:
10.17188/1275596

Citation Formats

The Materials Project. Materials Data on P10Au7I by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1275596.
The Materials Project. Materials Data on P10Au7I by Materials Project. United States. doi:10.17188/1275596.
The Materials Project. 2020. "Materials Data on P10Au7I by Materials Project". United States. doi:10.17188/1275596. https://www.osti.gov/servlets/purl/1275596. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1275596,
title = {Materials Data on P10Au7I by Materials Project},
author = {The Materials Project},
abstractNote = {(AuP2)2Au5P6I crystallizes in the trigonal P-31m space group. The structure is three-dimensional and consists of two AuP2 clusters and one Au5P6I framework. In each AuP2 cluster, Au+0.14- is bonded in a linear geometry to two equivalent P+0.20+ atoms. Both Au–P bond lengths are 2.35 Å. P+0.20+ is bonded in a single-bond geometry to one Au+0.14- atom. In the Au5P6I framework, there are two inequivalent Au+0.14- sites. In the first Au+0.14- site, Au+0.14- is bonded to three equivalent P+0.20+ and one I1- atom to form distorted corner-sharing AuP3I trigonal pyramids. All Au–P bond lengths are 2.38 Å. The Au–I bond length is 3.10 Å. In the second Au+0.14- site, Au+0.14- is bonded in a linear geometry to two equivalent P+0.20+ atoms. Both Au–P bond lengths are 2.37 Å. P+0.20+ is bonded in a bent 120 degrees geometry to two Au+0.14- atoms. I1- is bonded in a linear geometry to two equivalent Au+0.14- atoms.},
doi = {10.17188/1275596},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

Dataset:

Save / Share: