DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on NaAlH24(SO10)2 by Materials Project

Abstract

NaAl(H2O)12(SO4)2 crystallizes in the cubic Pa-3 space group. The structure is three-dimensional and consists of eight sulfuric acid molecules and one NaAl(H2O)12 framework. In the NaAl(H2O)12 framework, Na1+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Na–O bond lengths are 2.51 Å. Al3+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Al–O bond lengths are 1.91 Å. There are four inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a distorted linear geometry to two O2- atoms. There is one shorter (1.02 Å) and one longer (1.60 Å) H–O bond length. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. In the third H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted water-like geometry to one Na1+ and three H1+ atoms. In the secondmore » O2- site, O2- is bonded in a distorted trigonal planar geometry to one Al3+ and two H1+ atoms.« less

Publication Date:
Other Number(s):
mp-24046
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; NaAlH24(SO10)2; Al-H-Na-O-S
OSTI Identifier:
1199881
DOI:
https://doi.org/10.17188/1199881

Citation Formats

The Materials Project. Materials Data on NaAlH24(SO10)2 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1199881.
The Materials Project. Materials Data on NaAlH24(SO10)2 by Materials Project. United States. doi:https://doi.org/10.17188/1199881
The Materials Project. 2019. "Materials Data on NaAlH24(SO10)2 by Materials Project". United States. doi:https://doi.org/10.17188/1199881. https://www.osti.gov/servlets/purl/1199881. Pub date:Wed Oct 23 00:00:00 EDT 2019
@article{osti_1199881,
title = {Materials Data on NaAlH24(SO10)2 by Materials Project},
author = {The Materials Project},
abstractNote = {NaAl(H2O)12(SO4)2 crystallizes in the cubic Pa-3 space group. The structure is three-dimensional and consists of eight sulfuric acid molecules and one NaAl(H2O)12 framework. In the NaAl(H2O)12 framework, Na1+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Na–O bond lengths are 2.51 Å. Al3+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Al–O bond lengths are 1.91 Å. There are four inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a distorted linear geometry to two O2- atoms. There is one shorter (1.02 Å) and one longer (1.60 Å) H–O bond length. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. In the third H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted water-like geometry to one Na1+ and three H1+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to one Al3+ and two H1+ atoms.},
doi = {10.17188/1199881},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {10}
}