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Title: Materials Data on AlSO10 by Materials Project

Abstract

AlSO6(O2)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional and consists of eight oxygen molecules and one AlSO6 framework. In the AlSO6 framework, Al is bonded to four O atoms to form AlO4 tetrahedra that share corners with two equivalent SO4 tetrahedra. There are a spread of Al–O bond distances ranging from 1.75–1.87 Å. S is bonded to four O atoms to form SO4 tetrahedra that share corners with two equivalent AlO4 tetrahedra. There are a spread of S–O bond distances ranging from 1.44–1.57 Å. There are six inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one S atom. In the second O site, O is bonded in a bent 150 degrees geometry to one Al and one S atom. In the third O site, O is bonded in a distorted water-like geometry to one Al and one O atom. The O–O bond length is 1.39 Å. In the fourth O site, O is bonded in a single-bond geometry to one S atom. In the fifth O site, O is bonded in a distorted bent 120 degrees geometry to one Al and one O atom. The O–O bond lengthmore » is 1.38 Å. In the sixth O site, O is bonded in a bent 120 degrees geometry to one Al and one S atom.« less

Authors:
Publication Date:
Other Number(s):
mp-1183023
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; AlSO10; Al-O-S
OSTI Identifier:
1731301
DOI:
https://doi.org/10.17188/1731301

Citation Formats

The Materials Project. Materials Data on AlSO10 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1731301.
The Materials Project. Materials Data on AlSO10 by Materials Project. United States. doi:https://doi.org/10.17188/1731301
The Materials Project. 2019. "Materials Data on AlSO10 by Materials Project". United States. doi:https://doi.org/10.17188/1731301. https://www.osti.gov/servlets/purl/1731301. Pub date:Fri Jan 11 00:00:00 EST 2019
@article{osti_1731301,
title = {Materials Data on AlSO10 by Materials Project},
author = {The Materials Project},
abstractNote = {AlSO6(O2)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional and consists of eight oxygen molecules and one AlSO6 framework. In the AlSO6 framework, Al is bonded to four O atoms to form AlO4 tetrahedra that share corners with two equivalent SO4 tetrahedra. There are a spread of Al–O bond distances ranging from 1.75–1.87 Å. S is bonded to four O atoms to form SO4 tetrahedra that share corners with two equivalent AlO4 tetrahedra. There are a spread of S–O bond distances ranging from 1.44–1.57 Å. There are six inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one S atom. In the second O site, O is bonded in a bent 150 degrees geometry to one Al and one S atom. In the third O site, O is bonded in a distorted water-like geometry to one Al and one O atom. The O–O bond length is 1.39 Å. In the fourth O site, O is bonded in a single-bond geometry to one S atom. In the fifth O site, O is bonded in a distorted bent 120 degrees geometry to one Al and one O atom. The O–O bond length is 1.38 Å. In the sixth O site, O is bonded in a bent 120 degrees geometry to one Al and one S atom.},
doi = {10.17188/1731301},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}