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Title: Materials Data on AlH36C12S6(IO2)3 by Materials Project

Abstract

(CH3)12Al(SO)6(I)3 crystallizes in the trigonal R-3 space group. The structure is zero-dimensional and consists of nine hydriodic acid molecules, thirty-six methane molecules, and three Al(SO)6 clusters. In each Al(SO)6 cluster, Al3+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Al–O bond lengths are 1.91 Å. S2- is bonded in a distorted single-bond geometry to one O2- atom. The S–O bond length is 1.55 Å. O2- is bonded in a bent 120 degrees geometry to one Al3+ and one S2- atom.

Publication Date:
Other Number(s):
mp-24279
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; AlH36C12S6(IO2)3; Al-C-H-I-O-S
OSTI Identifier:
1200007
DOI:
https://doi.org/10.17188/1200007

Citation Formats

The Materials Project. Materials Data on AlH36C12S6(IO2)3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1200007.
The Materials Project. Materials Data on AlH36C12S6(IO2)3 by Materials Project. United States. doi:https://doi.org/10.17188/1200007
The Materials Project. 2020. "Materials Data on AlH36C12S6(IO2)3 by Materials Project". United States. doi:https://doi.org/10.17188/1200007. https://www.osti.gov/servlets/purl/1200007. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1200007,
title = {Materials Data on AlH36C12S6(IO2)3 by Materials Project},
author = {The Materials Project},
abstractNote = {(CH3)12Al(SO)6(I)3 crystallizes in the trigonal R-3 space group. The structure is zero-dimensional and consists of nine hydriodic acid molecules, thirty-six methane molecules, and three Al(SO)6 clusters. In each Al(SO)6 cluster, Al3+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Al–O bond lengths are 1.91 Å. S2- is bonded in a distorted single-bond geometry to one O2- atom. The S–O bond length is 1.55 Å. O2- is bonded in a bent 120 degrees geometry to one Al3+ and one S2- atom.},
doi = {10.17188/1200007},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}