U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on KGaO2 by Materials Project
Abstract
KGaO2 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of K–O bond distances ranging from 2.65–3.04 Å. In the second K1+ site, K1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of K–O bond distances ranging from 2.62–2.83 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. There are a spread of Ga–O bond distances ranging from 1.86–1.88 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 1.85–1.88 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent K1+ and two Ga3+ atoms. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent K1+ and two Ga3+ atoms. In the third O2- site, O2- is bonded in a 2-coordinate geometry to two K1+ andmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-679975
- 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; KGaO2; Ga-K-O
- OSTI Identifier:
- 1283466
- DOI:
- https://doi.org/10.17188/1283466
Citation Formats
The Materials Project. Materials Data on KGaO2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1283466.
The Materials Project. Materials Data on KGaO2 by Materials Project. United States. doi:https://doi.org/10.17188/1283466
The Materials Project. 2020.
"Materials Data on KGaO2 by Materials Project". United States. doi:https://doi.org/10.17188/1283466. https://www.osti.gov/servlets/purl/1283466. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1283466,
title = {Materials Data on KGaO2 by Materials Project},
author = {The Materials Project},
abstractNote = {KGaO2 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of K–O bond distances ranging from 2.65–3.04 Å. In the second K1+ site, K1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of K–O bond distances ranging from 2.62–2.83 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. There are a spread of Ga–O bond distances ranging from 1.86–1.88 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 1.85–1.88 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent K1+ and two Ga3+ atoms. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent K1+ and two Ga3+ atoms. In the third O2- site, O2- is bonded in a 2-coordinate geometry to two K1+ and two equivalent Ga3+ atoms. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to two K1+ and two equivalent Ga3+ atoms.},
doi = {10.17188/1283466},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}