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Title: Materials Data on KNa2NiO2 by Materials Project

Abstract

KNa2NiO2 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. K1+ is bonded in a single-bond geometry to one O2- atom. The K–O bond length is 2.84 Å. Na1+ is bonded in a distorted see-saw-like geometry to four O2- atoms. There are two shorter (2.31 Å) and two longer (2.47 Å) Na–O bond lengths. Ni1+ is bonded in a linear geometry to two O2- atoms. Both Ni–O bond lengths are 1.80 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to one K1+, four equivalent Na1+, and one Ni1+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to four equivalent Na1+ and one Ni1+ atom.

Publication Date:
Other Number(s):
mp-1223374
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; KNa2NiO2; K-Na-Ni-O
OSTI Identifier:
1751181
DOI:
https://doi.org/10.17188/1751181

Citation Formats

The Materials Project. Materials Data on KNa2NiO2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1751181.
The Materials Project. Materials Data on KNa2NiO2 by Materials Project. United States. doi:https://doi.org/10.17188/1751181
The Materials Project. 2020. "Materials Data on KNa2NiO2 by Materials Project". United States. doi:https://doi.org/10.17188/1751181. https://www.osti.gov/servlets/purl/1751181. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1751181,
title = {Materials Data on KNa2NiO2 by Materials Project},
author = {The Materials Project},
abstractNote = {KNa2NiO2 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. K1+ is bonded in a single-bond geometry to one O2- atom. The K–O bond length is 2.84 Å. Na1+ is bonded in a distorted see-saw-like geometry to four O2- atoms. There are two shorter (2.31 Å) and two longer (2.47 Å) Na–O bond lengths. Ni1+ is bonded in a linear geometry to two O2- atoms. Both Ni–O bond lengths are 1.80 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to one K1+, four equivalent Na1+, and one Ni1+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to four equivalent Na1+ and one Ni1+ atom.},
doi = {10.17188/1751181},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}