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Title: Materials Data on InAu(I4N)2 by Materials Project

Abstract

AuI4InI4N2 is Modderite-derived structured and crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of eight ammonia molecules, four AuI4 clusters, and four InI4 clusters. In each AuI4 cluster, Au3+ is bonded in a distorted rectangular see-saw-like geometry to four I1- atoms. There are two shorter (2.69 Å) and two longer (2.70 Å) Au–I bond lengths. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded in a distorted single-bond geometry to one Au3+ atom. In the second I1- site, I1- is bonded in a distorted single-bond geometry to one Au3+ atom. In each InI4 cluster, In3+ is bonded in a tetrahedral geometry to four I1- atoms. There are a spread of In–I bond distances ranging from 2.71–2.83 Å. There are three inequivalent I1- sites. In the first I1- site, I1- is bonded in a single-bond geometry to one In3+ atom. In the second I1- site, I1- is bonded in a single-bond geometry to one In3+ atom. In the third I1- site, I1- is bonded in a single-bond geometry to one In3+ atom.

Authors:
Publication Date:
Other Number(s):
mp-1197888
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; InAu(I4N)2; Au-I-In-N
OSTI Identifier:
1678536
DOI:
https://doi.org/10.17188/1678536

Citation Formats

The Materials Project. Materials Data on InAu(I4N)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1678536.
The Materials Project. Materials Data on InAu(I4N)2 by Materials Project. United States. doi:https://doi.org/10.17188/1678536
The Materials Project. 2020. "Materials Data on InAu(I4N)2 by Materials Project". United States. doi:https://doi.org/10.17188/1678536. https://www.osti.gov/servlets/purl/1678536. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1678536,
title = {Materials Data on InAu(I4N)2 by Materials Project},
author = {The Materials Project},
abstractNote = {AuI4InI4N2 is Modderite-derived structured and crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of eight ammonia molecules, four AuI4 clusters, and four InI4 clusters. In each AuI4 cluster, Au3+ is bonded in a distorted rectangular see-saw-like geometry to four I1- atoms. There are two shorter (2.69 Å) and two longer (2.70 Å) Au–I bond lengths. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded in a distorted single-bond geometry to one Au3+ atom. In the second I1- site, I1- is bonded in a distorted single-bond geometry to one Au3+ atom. In each InI4 cluster, In3+ is bonded in a tetrahedral geometry to four I1- atoms. There are a spread of In–I bond distances ranging from 2.71–2.83 Å. There are three inequivalent I1- sites. In the first I1- site, I1- is bonded in a single-bond geometry to one In3+ atom. In the second I1- site, I1- is bonded in a single-bond geometry to one In3+ atom. In the third I1- site, I1- is bonded in a single-bond geometry to one In3+ atom.},
doi = {10.17188/1678536},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}