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 4-coordinate geometry to eight O2- atoms. There are a spread of K–O bond distances ranging from 2.80–3.36 Å. In the second K1+ site, K1+ is bonded in a 5-coordinate geometry to six O2- atoms. There are a spread of K–O bond distances ranging from 2.65–3.28 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 is three shorter (1.87 Å) and one longer (1.88 Å) Ga–O bond length. In the second Ga3+ site, Ga3+ is bonded to four O2- atoms to form corner-sharing GaO4 tetrahedra. There is two shorter (1.87 Å) and two longer (1.88 Å) Ga–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to four K1+ and two equivalent Ga3+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to four K1+ and two Ga3+ atoms. In the third O2- site, O2- is bonded in a 2-coordinate geometry tomore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-4066
- 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:
- 1207813
- DOI:
- https://doi.org/10.17188/1207813
Citation Formats
The Materials Project. Materials Data on KGaO2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1207813.
The Materials Project. Materials Data on KGaO2 by Materials Project. United States. doi:https://doi.org/10.17188/1207813
The Materials Project. 2020.
"Materials Data on KGaO2 by Materials Project". United States. doi:https://doi.org/10.17188/1207813. https://www.osti.gov/servlets/purl/1207813. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1207813,
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 4-coordinate geometry to eight O2- atoms. There are a spread of K–O bond distances ranging from 2.80–3.36 Å. In the second K1+ site, K1+ is bonded in a 5-coordinate geometry to six O2- atoms. There are a spread of K–O bond distances ranging from 2.65–3.28 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 is three shorter (1.87 Å) and one longer (1.88 Å) Ga–O bond length. In the second Ga3+ site, Ga3+ is bonded to four O2- atoms to form corner-sharing GaO4 tetrahedra. There is two shorter (1.87 Å) and two longer (1.88 Å) Ga–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to four K1+ and two equivalent Ga3+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to four K1+ and two Ga3+ atoms. In the third O2- site, O2- is bonded in a 2-coordinate geometry to three K1+ and two equivalent Ga3+ atoms. In the fourth O2- site, O2- is bonded in a 5-coordinate geometry to three K1+ and two Ga3+ atoms.},
doi = {10.17188/1207813},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}