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Title: Materials Data on Al(SeCl2)2 by Materials Project

Abstract

AlCl4(Se)2 crystallizes in the orthorhombic Pbam space group. The structure is zero-dimensional and consists of four tetraselenetane molecules and eight AlCl4 clusters. In each AlCl4 cluster, Al is bonded in a tetrahedral geometry to four Cl atoms. There are a spread of Al–Cl bond distances ranging from 2.13–2.19 Å. There are three inequivalent Cl sites. In the first Cl site, Cl is bonded in a single-bond geometry to one Al atom. In the second Cl site, Cl is bonded in a single-bond geometry to one Al atom. In the third Cl site, Cl is bonded in a single-bond geometry to one Al atom.

Publication Date:
Other Number(s):
mp-574529
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; Al(SeCl2)2; Al-Cl-Se
OSTI Identifier:
1276587
DOI:
10.17188/1276587

Citation Formats

The Materials Project. Materials Data on Al(SeCl2)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1276587.
The Materials Project. Materials Data on Al(SeCl2)2 by Materials Project. United States. doi:10.17188/1276587.
The Materials Project. 2020. "Materials Data on Al(SeCl2)2 by Materials Project". United States. doi:10.17188/1276587. https://www.osti.gov/servlets/purl/1276587. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1276587,
title = {Materials Data on Al(SeCl2)2 by Materials Project},
author = {The Materials Project},
abstractNote = {AlCl4(Se)2 crystallizes in the orthorhombic Pbam space group. The structure is zero-dimensional and consists of four tetraselenetane molecules and eight AlCl4 clusters. In each AlCl4 cluster, Al is bonded in a tetrahedral geometry to four Cl atoms. There are a spread of Al–Cl bond distances ranging from 2.13–2.19 Å. There are three inequivalent Cl sites. In the first Cl site, Cl is bonded in a single-bond geometry to one Al atom. In the second Cl site, Cl is bonded in a single-bond geometry to one Al atom. In the third Cl site, Cl is bonded in a single-bond geometry to one Al atom.},
doi = {10.17188/1276587},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

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