U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Al12Ga(S2O33)2 by Materials Project
Abstract
GaAl12O50(SO4)4 crystallizes in the cubic F-43m space group. The structure is three-dimensional and consists of sixteen sulfuric acid molecules and one GaAl12O50 framework. In the GaAl12O50 framework, Ga is bonded to four equivalent O atoms to form GaO4 tetrahedra that share corners with twelve equivalent AlO6 octahedra. The corner-sharing octahedral tilt angles are 62°. All Ga–O bond lengths are 2.08 Å. Al is bonded to six O atoms to form AlO6 octahedra that share a cornercorner with one GaO4 tetrahedra and edges with three equivalent AlO6 octahedra. There are a spread of Al–O bond distances ranging from 1.83–2.03 Å. There are six inequivalent O sites. In the first O site, O is bonded to one Ga and three equivalent Al atoms to form corner-sharing OAl3Ga tetrahedra. In the second O site, O is bonded in a bent 120 degrees geometry to two equivalent O atoms. Both O–O bond lengths are 1.44 Å. In the third O site, O is bonded in a single-bond geometry to one Al atom. In the fourth O site, O is bonded in a trigonal planar geometry to three equivalent O atoms. All O–O bond lengths are 1.68 Å. In the fifth O site, O ismore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1215158
- 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; Al12Ga(S2O33)2; Al-Ga-O-S
- OSTI Identifier:
- 1656085
- DOI:
- https://doi.org/10.17188/1656085
Citation Formats
The Materials Project. Materials Data on Al12Ga(S2O33)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1656085.
The Materials Project. Materials Data on Al12Ga(S2O33)2 by Materials Project. United States. doi:https://doi.org/10.17188/1656085
The Materials Project. 2020.
"Materials Data on Al12Ga(S2O33)2 by Materials Project". United States. doi:https://doi.org/10.17188/1656085. https://www.osti.gov/servlets/purl/1656085. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1656085,
title = {Materials Data on Al12Ga(S2O33)2 by Materials Project},
author = {The Materials Project},
abstractNote = {GaAl12O50(SO4)4 crystallizes in the cubic F-43m space group. The structure is three-dimensional and consists of sixteen sulfuric acid molecules and one GaAl12O50 framework. In the GaAl12O50 framework, Ga is bonded to four equivalent O atoms to form GaO4 tetrahedra that share corners with twelve equivalent AlO6 octahedra. The corner-sharing octahedral tilt angles are 62°. All Ga–O bond lengths are 2.08 Å. Al is bonded to six O atoms to form AlO6 octahedra that share a cornercorner with one GaO4 tetrahedra and edges with three equivalent AlO6 octahedra. There are a spread of Al–O bond distances ranging from 1.83–2.03 Å. There are six inequivalent O sites. In the first O site, O is bonded to one Ga and three equivalent Al atoms to form corner-sharing OAl3Ga tetrahedra. In the second O site, O is bonded in a bent 120 degrees geometry to two equivalent O atoms. Both O–O bond lengths are 1.44 Å. In the third O site, O is bonded in a single-bond geometry to one Al atom. In the fourth O site, O is bonded in a trigonal planar geometry to three equivalent O atoms. All O–O bond lengths are 1.68 Å. In the fifth O site, O is bonded in a distorted L-shaped geometry to two equivalent Al and one O atom. In the sixth O site, O is bonded in a 3-coordinate geometry to two equivalent Al and one O atom.},
doi = {10.17188/1656085},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}