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Title: 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 » 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.« less

Publication Date:
Other Number(s):
mp-4066
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
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}
}