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Title: Materials Data on AuI3N by Materials Project

Abstract

AuNI3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Au5+ sites. In the first Au5+ site, Au5+ is bonded in a square co-planar geometry to four I1- atoms. There are two shorter (2.64 Å) and two longer (2.77 Å) Au–I bond lengths. In the second Au5+ site, Au5+ is bonded in a square co-planar geometry to four I1- atoms. There are two shorter (2.63 Å) and two longer (2.78 Å) Au–I bond lengths. N2- is bonded in a 7-coordinate geometry to seven I1- atoms. There are a spread of N–I bond distances ranging from 3.59–3.79 Å. There are three inequivalent I1- sites. In the first I1- site, I1- is bonded in a 1-coordinate geometry to one Au5+ and three equivalent N2- atoms. In the second I1- site, I1- is bonded in a 3-coordinate geometry to two Au5+ and one N2- atom. In the third I1- site, I1- is bonded in a 1-coordinate geometry to one Au5+ and three equivalent N2- atoms.

Publication Date:
Other Number(s):
mp-1214882
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; AuI3N; Au-I-N
OSTI Identifier:
1694570
DOI:
https://doi.org/10.17188/1694570

Citation Formats

The Materials Project. Materials Data on AuI3N by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1694570.
The Materials Project. Materials Data on AuI3N by Materials Project. United States. doi:https://doi.org/10.17188/1694570
The Materials Project. 2020. "Materials Data on AuI3N by Materials Project". United States. doi:https://doi.org/10.17188/1694570. https://www.osti.gov/servlets/purl/1694570. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1694570,
title = {Materials Data on AuI3N by Materials Project},
author = {The Materials Project},
abstractNote = {AuNI3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Au5+ sites. In the first Au5+ site, Au5+ is bonded in a square co-planar geometry to four I1- atoms. There are two shorter (2.64 Å) and two longer (2.77 Å) Au–I bond lengths. In the second Au5+ site, Au5+ is bonded in a square co-planar geometry to four I1- atoms. There are two shorter (2.63 Å) and two longer (2.78 Å) Au–I bond lengths. N2- is bonded in a 7-coordinate geometry to seven I1- atoms. There are a spread of N–I bond distances ranging from 3.59–3.79 Å. There are three inequivalent I1- sites. In the first I1- site, I1- is bonded in a 1-coordinate geometry to one Au5+ and three equivalent N2- atoms. In the second I1- site, I1- is bonded in a 3-coordinate geometry to two Au5+ and one N2- atom. In the third I1- site, I1- is bonded in a 1-coordinate geometry to one Au5+ and three equivalent N2- atoms.},
doi = {10.17188/1694570},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}