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Title: Materials Data on K2NaGaAs2 by Materials Project

Abstract

K2NaGaAs2 is Matlockite-derived structured and crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. K1+ is bonded in a 4-coordinate geometry to five equivalent As3- atoms. There are a spread of K–As bond distances ranging from 3.33–3.87 Å. Na1+ is bonded to four equivalent As3- atoms to form distorted NaAs4 tetrahedra that share corners with four equivalent GaAs4 tetrahedra, edges with two equivalent NaAs4 tetrahedra, and edges with two equivalent GaAs4 tetrahedra. All Na–As bond lengths are 2.99 Å. Ga3+ is bonded to four equivalent As3- atoms to form GaAs4 tetrahedra that share corners with four equivalent NaAs4 tetrahedra, edges with two equivalent NaAs4 tetrahedra, and edges with two equivalent GaAs4 tetrahedra. All Ga–As bond lengths are 2.59 Å. As3- is bonded in a 9-coordinate geometry to five equivalent K1+, two equivalent Na1+, and two equivalent Ga3+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-9676
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; K2NaGaAs2; As-Ga-K-Na
OSTI Identifier:
1313513
DOI:
https://doi.org/10.17188/1313513

Citation Formats

The Materials Project. Materials Data on K2NaGaAs2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1313513.
The Materials Project. Materials Data on K2NaGaAs2 by Materials Project. United States. doi:https://doi.org/10.17188/1313513
The Materials Project. 2020. "Materials Data on K2NaGaAs2 by Materials Project". United States. doi:https://doi.org/10.17188/1313513. https://www.osti.gov/servlets/purl/1313513. Pub date:Fri Jul 17 00:00:00 EDT 2020
@article{osti_1313513,
title = {Materials Data on K2NaGaAs2 by Materials Project},
author = {The Materials Project},
abstractNote = {K2NaGaAs2 is Matlockite-derived structured and crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. K1+ is bonded in a 4-coordinate geometry to five equivalent As3- atoms. There are a spread of K–As bond distances ranging from 3.33–3.87 Å. Na1+ is bonded to four equivalent As3- atoms to form distorted NaAs4 tetrahedra that share corners with four equivalent GaAs4 tetrahedra, edges with two equivalent NaAs4 tetrahedra, and edges with two equivalent GaAs4 tetrahedra. All Na–As bond lengths are 2.99 Å. Ga3+ is bonded to four equivalent As3- atoms to form GaAs4 tetrahedra that share corners with four equivalent NaAs4 tetrahedra, edges with two equivalent NaAs4 tetrahedra, and edges with two equivalent GaAs4 tetrahedra. All Ga–As bond lengths are 2.59 Å. As3- is bonded in a 9-coordinate geometry to five equivalent K1+, two equivalent Na1+, and two equivalent Ga3+ atoms.},
doi = {10.17188/1313513},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}