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Title: Materials Data on InH8C8N4Cl7 by Materials Project

Abstract

InCl4(HC2N)4H2Cl(HCl)2 crystallizes in the orthorhombic P2_12_12 space group. The structure is zero-dimensional and consists of eight aziridine molecules, four hydrochloric acid molecules, two hydrogen hydrochloride molecules, and two InCl4 clusters. In each InCl4 cluster, In3+ is bonded in a 6-coordinate geometry to four Cl1- atoms. There are two shorter (2.44 Å) and two longer (2.46 Å) In–Cl bond lengths. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one In3+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one In3+ atom.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-736446
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; InH8C8N4Cl7; C-Cl-H-In-N
OSTI Identifier:
1287861
DOI:
10.17188/1287861

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on InH8C8N4Cl7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1287861.
Persson, Kristin, & Project, Materials. Materials Data on InH8C8N4Cl7 by Materials Project. United States. doi:10.17188/1287861.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on InH8C8N4Cl7 by Materials Project". United States. doi:10.17188/1287861. https://www.osti.gov/servlets/purl/1287861. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1287861,
title = {Materials Data on InH8C8N4Cl7 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {InCl4(HC2N)4H2Cl(HCl)2 crystallizes in the orthorhombic P2_12_12 space group. The structure is zero-dimensional and consists of eight aziridine molecules, four hydrochloric acid molecules, two hydrogen hydrochloride molecules, and two InCl4 clusters. In each InCl4 cluster, In3+ is bonded in a 6-coordinate geometry to four Cl1- atoms. There are two shorter (2.44 Å) and two longer (2.46 Å) In–Cl bond lengths. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one In3+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one In3+ atom.},
doi = {10.17188/1287861},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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