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Title: Materials Data on AlNCl4 by Materials Project

Abstract

(AlCl4)2N2 is Iron carbide-derived structured and crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four ammonia molecules and four AlCl4 clusters. In each AlCl4 cluster, Al3+ is bonded in a tetrahedral geometry to four Cl1- atoms. There are three shorter (2.15 Å) and one longer (2.16 Å) Al–Cl bond lengths. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Al3+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Al3+ atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Al3+ atom.

Publication Date:
Other Number(s):
mp-1191162
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; AlNCl4; Al-Cl-N
OSTI Identifier:
1699337
DOI:
https://doi.org/10.17188/1699337

Citation Formats

The Materials Project. Materials Data on AlNCl4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1699337.
The Materials Project. Materials Data on AlNCl4 by Materials Project. United States. doi:https://doi.org/10.17188/1699337
The Materials Project. 2020. "Materials Data on AlNCl4 by Materials Project". United States. doi:https://doi.org/10.17188/1699337. https://www.osti.gov/servlets/purl/1699337. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1699337,
title = {Materials Data on AlNCl4 by Materials Project},
author = {The Materials Project},
abstractNote = {(AlCl4)2N2 is Iron carbide-derived structured and crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four ammonia molecules and four AlCl4 clusters. In each AlCl4 cluster, Al3+ is bonded in a tetrahedral geometry to four Cl1- atoms. There are three shorter (2.15 Å) and one longer (2.16 Å) Al–Cl bond lengths. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Al3+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Al3+ atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Al3+ atom.},
doi = {10.17188/1699337},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}