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Title: Materials Data on KLiZnO2 by Materials Project

Abstract

KLiZnO2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. K1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of K–O bond distances ranging from 2.86–3.04 Å. Li1+ is bonded to four O2- atoms to form LiO4 tetrahedra that share corners with two equivalent LiO4 tetrahedra, corners with four equivalent ZnO4 tetrahedra, edges with two equivalent LiO4 tetrahedra, and edges with two equivalent ZnO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.95–2.13 Å. Zn2+ is bonded to four O2- atoms to form distorted ZnO4 tetrahedra that share corners with two equivalent ZnO4 tetrahedra, corners with four equivalent LiO4 tetrahedra, an edgeedge with one ZnO4 tetrahedra, and edges with two equivalent LiO4 tetrahedra. There are a spread of Zn–O bond distances ranging from 1.99–2.16 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to five equivalent K1+, one Li1+, and two equivalent Zn2+ atoms. In the second O2- site, O2- is bonded in a 7-coordinate geometry to two equivalent K1+, three equivalent Li1+, and two equivalent Zn2+ atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-551092
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; KLiZnO2; K-Li-O-Zn
OSTI Identifier:
1267450
DOI:
10.17188/1267450

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on KLiZnO2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1267450.
Persson, Kristin, & Project, Materials. Materials Data on KLiZnO2 by Materials Project. United States. doi:10.17188/1267450.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on KLiZnO2 by Materials Project". United States. doi:10.17188/1267450. https://www.osti.gov/servlets/purl/1267450. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1267450,
title = {Materials Data on KLiZnO2 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {KLiZnO2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. K1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of K–O bond distances ranging from 2.86–3.04 Å. Li1+ is bonded to four O2- atoms to form LiO4 tetrahedra that share corners with two equivalent LiO4 tetrahedra, corners with four equivalent ZnO4 tetrahedra, edges with two equivalent LiO4 tetrahedra, and edges with two equivalent ZnO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.95–2.13 Å. Zn2+ is bonded to four O2- atoms to form distorted ZnO4 tetrahedra that share corners with two equivalent ZnO4 tetrahedra, corners with four equivalent LiO4 tetrahedra, an edgeedge with one ZnO4 tetrahedra, and edges with two equivalent LiO4 tetrahedra. There are a spread of Zn–O bond distances ranging from 1.99–2.16 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to five equivalent K1+, one Li1+, and two equivalent Zn2+ atoms. In the second O2- site, O2- is bonded in a 7-coordinate geometry to two equivalent K1+, three equivalent Li1+, and two equivalent Zn2+ atoms.},
doi = {10.17188/1267450},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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