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Title: Materials Data on KNaCl2 by Materials Project

Abstract

KNaCl2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. K1+ is bonded to six equivalent Cl1- atoms to form KCl6 octahedra that share corners with six equivalent NaCl6 octahedra, edges with six equivalent KCl6 octahedra, and edges with six equivalent NaCl6 octahedra. The corner-sharing octahedral tilt angles are 6°. All K–Cl bond lengths are 3.13 Å. Na1+ is bonded to six equivalent Cl1- atoms to form NaCl6 octahedra that share corners with six equivalent KCl6 octahedra, edges with six equivalent KCl6 octahedra, and edges with six equivalent NaCl6 octahedra. The corner-sharing octahedral tilt angles are 6°. All Na–Cl bond lengths are 2.91 Å. Cl1- is bonded to three equivalent K1+ and three equivalent Na1+ atoms to form a mixture of edge and corner-sharing ClK3Na3 octahedra. The corner-sharing octahedral tilt angles are 0°.

Publication Date:
Other Number(s):
mp-1223313
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; KNaCl2; Cl-K-Na
OSTI Identifier:
1699526
DOI:
https://doi.org/10.17188/1699526

Citation Formats

The Materials Project. Materials Data on KNaCl2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1699526.
The Materials Project. Materials Data on KNaCl2 by Materials Project. United States. doi:https://doi.org/10.17188/1699526
The Materials Project. 2020. "Materials Data on KNaCl2 by Materials Project". United States. doi:https://doi.org/10.17188/1699526. https://www.osti.gov/servlets/purl/1699526. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1699526,
title = {Materials Data on KNaCl2 by Materials Project},
author = {The Materials Project},
abstractNote = {KNaCl2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. K1+ is bonded to six equivalent Cl1- atoms to form KCl6 octahedra that share corners with six equivalent NaCl6 octahedra, edges with six equivalent KCl6 octahedra, and edges with six equivalent NaCl6 octahedra. The corner-sharing octahedral tilt angles are 6°. All K–Cl bond lengths are 3.13 Å. Na1+ is bonded to six equivalent Cl1- atoms to form NaCl6 octahedra that share corners with six equivalent KCl6 octahedra, edges with six equivalent KCl6 octahedra, and edges with six equivalent NaCl6 octahedra. The corner-sharing octahedral tilt angles are 6°. All Na–Cl bond lengths are 2.91 Å. Cl1- is bonded to three equivalent K1+ and three equivalent Na1+ atoms to form a mixture of edge and corner-sharing ClK3Na3 octahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1699526},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}