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Title: Materials Data on H6AuBrN2 by Materials Project

Abstract

AuN2H6Br crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of eight hydrobromic acid molecules and eight AuN2H6 clusters. In four of the AuN2H6 clusters, Au1+ is bonded in a linear geometry to two equivalent N3- atoms. Both Au–N bond lengths are 2.05 Å. N3- is bonded in a trigonal non-coplanar geometry to one Au1+ and three H1+ atoms. All N–H bond lengths are 1.03 Å. There are three inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In four of the AuN2H6 clusters, Au1+ is bonded in a linear geometry to two N3- atoms. There are one shorter (2.04 Å) and one longer (2.05 Å) Au–N bond lengths. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a trigonal non-coplanar geometry to one Au1+ and three H1+ atoms. There is one shorter (1.02 Å) and two longer (1.04 Å) N–H bond length. In the second N3- site,more » N3- is bonded in a trigonal non-coplanar geometry to one Au1+ and three H1+ atoms. There is one shorter (1.02 Å) and two longer (1.03 Å) N–H bond length. There are four inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom.« less

Publication Date:
Other Number(s):
mp-733613
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; H6AuBrN2; Au-Br-H-N
OSTI Identifier:
1287695
DOI:
10.17188/1287695

Citation Formats

The Materials Project. Materials Data on H6AuBrN2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1287695.
The Materials Project. Materials Data on H6AuBrN2 by Materials Project. United States. doi:10.17188/1287695.
The Materials Project. 2020. "Materials Data on H6AuBrN2 by Materials Project". United States. doi:10.17188/1287695. https://www.osti.gov/servlets/purl/1287695. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1287695,
title = {Materials Data on H6AuBrN2 by Materials Project},
author = {The Materials Project},
abstractNote = {AuN2H6Br crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of eight hydrobromic acid molecules and eight AuN2H6 clusters. In four of the AuN2H6 clusters, Au1+ is bonded in a linear geometry to two equivalent N3- atoms. Both Au–N bond lengths are 2.05 Å. N3- is bonded in a trigonal non-coplanar geometry to one Au1+ and three H1+ atoms. All N–H bond lengths are 1.03 Å. There are three inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In four of the AuN2H6 clusters, Au1+ is bonded in a linear geometry to two N3- atoms. There are one shorter (2.04 Å) and one longer (2.05 Å) Au–N bond lengths. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a trigonal non-coplanar geometry to one Au1+ and three H1+ atoms. There is one shorter (1.02 Å) and two longer (1.04 Å) N–H bond length. In the second N3- site, N3- is bonded in a trigonal non-coplanar geometry to one Au1+ and three H1+ atoms. There is one shorter (1.02 Å) and two longer (1.03 Å) N–H bond length. There are four inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom.},
doi = {10.17188/1287695},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

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