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Title: Materials Data on AlH12(ClO2)3 by Materials Project

Abstract

AlH12(O2Cl)3 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Al3+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Al–O bond lengths are 1.90 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- and one Cl1- atom. The H–O bond length is 1.00 Å. The H–Cl bond length is 2.04 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- and one Cl1- atom. The H–O bond length is 1.00 Å. The H–Cl bond length is 2.04 Å. O2- is bonded in a distorted trigonal planar geometry to one Al3+ and two H1+ atoms. Cl1- is bonded in a 4-coordinate geometry to four H1+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-23743
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; AlH12(ClO2)3; Al-Cl-H-O
OSTI Identifier:
1199702
DOI:
https://doi.org/10.17188/1199702

Citation Formats

The Materials Project. Materials Data on AlH12(ClO2)3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1199702.
The Materials Project. Materials Data on AlH12(ClO2)3 by Materials Project. United States. doi:https://doi.org/10.17188/1199702
The Materials Project. 2020. "Materials Data on AlH12(ClO2)3 by Materials Project". United States. doi:https://doi.org/10.17188/1199702. https://www.osti.gov/servlets/purl/1199702. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1199702,
title = {Materials Data on AlH12(ClO2)3 by Materials Project},
author = {The Materials Project},
abstractNote = {AlH12(O2Cl)3 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Al3+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Al–O bond lengths are 1.90 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- and one Cl1- atom. The H–O bond length is 1.00 Å. The H–Cl bond length is 2.04 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- and one Cl1- atom. The H–O bond length is 1.00 Å. The H–Cl bond length is 2.04 Å. O2- is bonded in a distorted trigonal planar geometry to one Al3+ and two H1+ atoms. Cl1- is bonded in a 4-coordinate geometry to four H1+ atoms.},
doi = {10.17188/1199702},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}