U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on CsGaO2 by Materials Project
Abstract
CsGaO2 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Cs–O bond distances ranging from 3.10–3.42 Å. In the second Cs1+ site, Cs1+ is bonded in a 4-coordinate geometry to eight O2- atoms. There are a spread of Cs–O bond distances ranging from 3.03–3.59 Å. There are two inequivalent Ga3+ sites. In the first Ga3+ site, Ga3+ is bonded to four O2- atoms to form corner-sharing GaO4 tetrahedra. All Ga–O bond lengths are 1.88 Å. In the second Ga3+ site, Ga3+ is bonded to four O2- atoms to form corner-sharing GaO4 tetrahedra. There are a spread of Ga–O bond distances ranging from 1.87–1.89 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to four Cs1+ and two equivalent Ga3+ atoms. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to four Cs1+ and two equivalent Ga3+ atoms. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometrymore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1213401
- 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; CsGaO2; Cs-Ga-O
- OSTI Identifier:
- 1748964
- DOI:
- https://doi.org/10.17188/1748964
Citation Formats
The Materials Project. Materials Data on CsGaO2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1748964.
The Materials Project. Materials Data on CsGaO2 by Materials Project. United States. doi:https://doi.org/10.17188/1748964
The Materials Project. 2020.
"Materials Data on CsGaO2 by Materials Project". United States. doi:https://doi.org/10.17188/1748964. https://www.osti.gov/servlets/purl/1748964. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1748964,
title = {Materials Data on CsGaO2 by Materials Project},
author = {The Materials Project},
abstractNote = {CsGaO2 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Cs–O bond distances ranging from 3.10–3.42 Å. In the second Cs1+ site, Cs1+ is bonded in a 4-coordinate geometry to eight O2- atoms. There are a spread of Cs–O bond distances ranging from 3.03–3.59 Å. There are two inequivalent Ga3+ sites. In the first Ga3+ site, Ga3+ is bonded to four O2- atoms to form corner-sharing GaO4 tetrahedra. All Ga–O bond lengths are 1.88 Å. In the second Ga3+ site, Ga3+ is bonded to four O2- atoms to form corner-sharing GaO4 tetrahedra. There are a spread of Ga–O bond distances ranging from 1.87–1.89 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to four Cs1+ and two equivalent Ga3+ atoms. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to four Cs1+ and two equivalent Ga3+ atoms. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to four Cs1+ and two Ga3+ atoms. In the fourth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to four Cs1+ and two Ga3+ atoms.},
doi = {10.17188/1748964},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}