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Title: Materials Data on LiAl2H6ClO6 by Materials Project

Abstract

(LiAl2(HO)6)2Cl2 crystallizes in the hexagonal P6_3/mcm space group. The structure is two-dimensional and consists of two hydrochloric acid molecules and two LiAl2(HO)6 sheets oriented in the (0, 0, 1) direction. In each LiAl2(HO)6 sheet, Li1+ is bonded to six equivalent O2- atoms to form distorted LiO6 octahedra that share edges with six equivalent AlO6 octahedra. All Li–O bond lengths are 2.13 Å. Al3+ is bonded to six equivalent O2- atoms to form AlO6 octahedra that share edges with three equivalent LiO6 octahedra and edges with three equivalent AlO6 octahedra. All Al–O bond lengths are 1.90 Å. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. O2- is bonded in a 1-coordinate geometry to one Li1+, two equivalent Al3+, and one H1+ atom.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-643655
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; LiAl2H6ClO6; Al-Cl-H-Li-O
OSTI Identifier:
1280336
DOI:
10.17188/1280336

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on LiAl2H6ClO6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1280336.
Persson, Kristin, & Project, Materials. Materials Data on LiAl2H6ClO6 by Materials Project. United States. doi:10.17188/1280336.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on LiAl2H6ClO6 by Materials Project". United States. doi:10.17188/1280336. https://www.osti.gov/servlets/purl/1280336. Pub date:Tue May 05 00:00:00 EDT 2020
@article{osti_1280336,
title = {Materials Data on LiAl2H6ClO6 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {(LiAl2(HO)6)2Cl2 crystallizes in the hexagonal P6_3/mcm space group. The structure is two-dimensional and consists of two hydrochloric acid molecules and two LiAl2(HO)6 sheets oriented in the (0, 0, 1) direction. In each LiAl2(HO)6 sheet, Li1+ is bonded to six equivalent O2- atoms to form distorted LiO6 octahedra that share edges with six equivalent AlO6 octahedra. All Li–O bond lengths are 2.13 Å. Al3+ is bonded to six equivalent O2- atoms to form AlO6 octahedra that share edges with three equivalent LiO6 octahedra and edges with three equivalent AlO6 octahedra. All Al–O bond lengths are 1.90 Å. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. O2- is bonded in a 1-coordinate geometry to one Li1+, two equivalent Al3+, and one H1+ atom.},
doi = {10.17188/1280336},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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