U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Ga2(SO4)3 by Materials Project
Abstract
Ga2(SO4)3 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. there are two inequivalent Ga3+ sites. In the first Ga3+ site, Ga3+ is bonded to six O2- atoms to form GaO6 octahedra that share corners with six equivalent SO4 tetrahedra. All Ga–O bond lengths are 1.98 Å. In the second Ga3+ site, Ga3+ is bonded to six O2- atoms to form GaO6 octahedra that share corners with six equivalent SO4 tetrahedra. All Ga–O bond lengths are 1.98 Å. S6+ is bonded to four O2- atoms to form SO4 tetrahedra that share corners with four GaO6 octahedra. The corner-sharing octahedra tilt angles range from 28–44°. There is three shorter (1.48 Å) and one longer (1.49 Å) S–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Ga3+ and one S6+ atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to one Ga3+ and one S6+ atom. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Ga3+ and one S6+ atom. In the fourth O2- site, O2- is bonded inmore »
- Publication Date:
- Other Number(s):
- mp-541451
- 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; Ga-O-S; Ga2(SO4)3; crystal structure
- OSTI Identifier:
- 1265117
- DOI:
- https://doi.org/10.17188/1265117
Citation Formats
Materials Data on Ga2(SO4)3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1265117.
Materials Data on Ga2(SO4)3 by Materials Project. United States. doi:https://doi.org/10.17188/1265117
2020.
"Materials Data on Ga2(SO4)3 by Materials Project". United States. doi:https://doi.org/10.17188/1265117. https://www.osti.gov/servlets/purl/1265117. Pub date:Thu Jul 23 04:00:00 UTC 2020
@article{osti_1265117,
title = {Materials Data on Ga2(SO4)3 by Materials Project},
abstractNote = {Ga2(SO4)3 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. there are two inequivalent Ga3+ sites. In the first Ga3+ site, Ga3+ is bonded to six O2- atoms to form GaO6 octahedra that share corners with six equivalent SO4 tetrahedra. All Ga–O bond lengths are 1.98 Å. In the second Ga3+ site, Ga3+ is bonded to six O2- atoms to form GaO6 octahedra that share corners with six equivalent SO4 tetrahedra. All Ga–O bond lengths are 1.98 Å. S6+ is bonded to four O2- atoms to form SO4 tetrahedra that share corners with four GaO6 octahedra. The corner-sharing octahedra tilt angles range from 28–44°. There is three shorter (1.48 Å) and one longer (1.49 Å) S–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Ga3+ and one S6+ atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to one Ga3+ and one S6+ atom. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Ga3+ and one S6+ atom. In the fourth O2- site, O2- is bonded in a bent 150 degrees geometry to one Ga3+ and one S6+ atom.},
doi = {10.17188/1265117},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}