U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on GaAg(SO4)2 by Materials Project
Abstract
AgGa(SO4)2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Ag1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are two shorter (2.56 Å) and four longer (2.68 Å) Ag–O bond lengths. Ga3+ is bonded to six O2- atoms to form GaO6 octahedra that share corners with six equivalent SO4 tetrahedra. There is two shorter (1.96 Å) and four longer (2.00 Å) Ga–O bond length. S6+ is bonded to four O2- atoms to form SO4 tetrahedra that share corners with three equivalent GaO6 octahedra. The corner-sharing octahedra tilt angles range from 38–46°. There are a spread of S–O bond distances ranging from 1.45–1.51 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one Ag1+ and one S6+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Ag1+, one Ga3+, and one S6+ atom. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to one Ga3+ and one S6+ atom.
- Publication Date:
- Other Number(s):
- mp-1212668
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; Ag-Ga-O-S; GaAg(SO4)2; crystal structure
- OSTI Identifier:
- 1732736
- DOI:
- https://doi.org/10.17188/1732736
Citation Formats
Materials Data on GaAg(SO4)2 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1732736.
Materials Data on GaAg(SO4)2 by Materials Project. United States. doi:https://doi.org/10.17188/1732736
2019.
"Materials Data on GaAg(SO4)2 by Materials Project". United States. doi:https://doi.org/10.17188/1732736. https://www.osti.gov/servlets/purl/1732736. Pub date:Fri Jan 11 23:00:00 EST 2019
@article{osti_1732736,
title = {Materials Data on GaAg(SO4)2 by Materials Project},
abstractNote = {AgGa(SO4)2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Ag1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are two shorter (2.56 Å) and four longer (2.68 Å) Ag–O bond lengths. Ga3+ is bonded to six O2- atoms to form GaO6 octahedra that share corners with six equivalent SO4 tetrahedra. There is two shorter (1.96 Å) and four longer (2.00 Å) Ga–O bond length. S6+ is bonded to four O2- atoms to form SO4 tetrahedra that share corners with three equivalent GaO6 octahedra. The corner-sharing octahedra tilt angles range from 38–46°. There are a spread of S–O bond distances ranging from 1.45–1.51 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one Ag1+ and one S6+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Ag1+, one Ga3+, and one S6+ atom. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to one Ga3+ and one S6+ atom.},
doi = {10.17188/1732736},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Fri Jan 11 23:00:00 EST 2019},
month = {Fri Jan 11 23:00:00 EST 2019}
}