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Title: Materials Data on KNa2 by Materials Project

Abstract

KNa2 is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. K is bonded in a 12-coordinate geometry to four equivalent K and twelve Na atoms. There are three shorter (4.56 Å) and one longer (4.58 Å) K–K bond lengths. There are nine shorter (4.37 Å) and three longer (4.38 Å) K–Na bond lengths. There are two inequivalent Na sites. In the first Na site, Na is bonded to six equivalent K and six equivalent Na atoms to form a mixture of corner, edge, and face-sharing NaK6Na6 cuboctahedra. All Na–Na bond lengths are 3.74 Å. In the second Na site, Na is bonded to six equivalent K and six Na atoms to form a mixture of corner, edge, and face-sharing NaK6Na6 cuboctahedra. There are two shorter (3.71 Å) and two longer (3.73 Å) Na–Na bond lengths.

Publication Date:
Other Number(s):
mp-570786
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; KNa2; K-Na
OSTI Identifier:
1275907
DOI:
https://doi.org/10.17188/1275907

Citation Formats

The Materials Project. Materials Data on KNa2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1275907.
The Materials Project. Materials Data on KNa2 by Materials Project. United States. doi:https://doi.org/10.17188/1275907
The Materials Project. 2020. "Materials Data on KNa2 by Materials Project". United States. doi:https://doi.org/10.17188/1275907. https://www.osti.gov/servlets/purl/1275907. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1275907,
title = {Materials Data on KNa2 by Materials Project},
author = {The Materials Project},
abstractNote = {KNa2 is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. K is bonded in a 12-coordinate geometry to four equivalent K and twelve Na atoms. There are three shorter (4.56 Å) and one longer (4.58 Å) K–K bond lengths. There are nine shorter (4.37 Å) and three longer (4.38 Å) K–Na bond lengths. There are two inequivalent Na sites. In the first Na site, Na is bonded to six equivalent K and six equivalent Na atoms to form a mixture of corner, edge, and face-sharing NaK6Na6 cuboctahedra. All Na–Na bond lengths are 3.74 Å. In the second Na site, Na is bonded to six equivalent K and six Na atoms to form a mixture of corner, edge, and face-sharing NaK6Na6 cuboctahedra. There are two shorter (3.71 Å) and two longer (3.73 Å) Na–Na bond lengths.},
doi = {10.17188/1275907},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}