U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Au3N3(Cl6O)2 by Materials Project
Abstract
AuCl4Au2N(OCl4)2N2 crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of eight ammonia molecules, four Au2N(OCl4)2 clusters, and four AuCl4 clusters. In each Au2N(OCl4)2 cluster, Au3+ is bonded in a rectangular see-saw-like geometry to four Cl1- atoms. There are a spread of Au–Cl bond distances ranging from 2.30–2.43 Å. N+2.33+ is bonded in a linear geometry to two equivalent Cl1- atoms. Both N–Cl bond lengths are 2.08 Å. O2- is bonded in a single-bond geometry to one Cl1- atom. The O–Cl bond length is 1.53 Å. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted bent 120 degrees geometry to one Au3+ and one N+2.33+ atom. In the second Cl1- site, Cl1- is bonded in a distorted bent 120 degrees geometry to one Au3+ and one O2- atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Au3+ atom. In the fourth Cl1- site, Cl1- is bonded in a single-bond geometry to one Au3+ atom. In each AuCl4 cluster, Au3+ is bonded in a square co-planar geometry to four Cl1- atoms. There are two shorter (2.30 Å) and two longer (2.31 Å) Au–Clmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1202926
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- 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)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; Au3N3(Cl6O)2; Au-Cl-N-O
- OSTI Identifier:
- 1752740
- DOI:
- https://doi.org/10.17188/1752740
Citation Formats
The Materials Project. Materials Data on Au3N3(Cl6O)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1752740.
The Materials Project. Materials Data on Au3N3(Cl6O)2 by Materials Project. United States. doi:https://doi.org/10.17188/1752740
The Materials Project. 2020.
"Materials Data on Au3N3(Cl6O)2 by Materials Project". United States. doi:https://doi.org/10.17188/1752740. https://www.osti.gov/servlets/purl/1752740. Pub date:Fri May 01 00:00:00 EDT 2020
@article{osti_1752740,
title = {Materials Data on Au3N3(Cl6O)2 by Materials Project},
author = {The Materials Project},
abstractNote = {AuCl4Au2N(OCl4)2N2 crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of eight ammonia molecules, four Au2N(OCl4)2 clusters, and four AuCl4 clusters. In each Au2N(OCl4)2 cluster, Au3+ is bonded in a rectangular see-saw-like geometry to four Cl1- atoms. There are a spread of Au–Cl bond distances ranging from 2.30–2.43 Å. N+2.33+ is bonded in a linear geometry to two equivalent Cl1- atoms. Both N–Cl bond lengths are 2.08 Å. O2- is bonded in a single-bond geometry to one Cl1- atom. The O–Cl bond length is 1.53 Å. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted bent 120 degrees geometry to one Au3+ and one N+2.33+ atom. In the second Cl1- site, Cl1- is bonded in a distorted bent 120 degrees geometry to one Au3+ and one O2- atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Au3+ atom. In the fourth Cl1- site, Cl1- is bonded in a single-bond geometry to one Au3+ atom. In each AuCl4 cluster, Au3+ is bonded in a square co-planar geometry to four Cl1- atoms. There are two shorter (2.30 Å) and two longer (2.31 Å) Au–Cl bond lengths. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Au3+ atom. In the second Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Au3+ atom.},
doi = {10.17188/1752740},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}