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Title: Materials Data on K2ZnCl4 by Materials Project

Abstract

K2ZnCl4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 1-coordinate geometry to eight Cl1- atoms. There are a spread of K–Cl bond distances ranging from 3.07–3.77 Å. In the second K1+ site, K1+ is bonded in a 7-coordinate geometry to seven Cl1- atoms. There are a spread of K–Cl bond distances ranging from 3.20–3.34 Å. Zn2+ is bonded in a tetrahedral geometry to four Cl1- atoms. There are a spread of Zn–Cl bond distances ranging from 2.26–2.31 Å. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 1-coordinate geometry to four K1+ and one Zn2+ atom. In the second Cl1- site, Cl1- is bonded in a 1-coordinate geometry to five K1+ and one Zn2+ atom. In the third Cl1- site, Cl1- is bonded in a distorted T-shaped geometry to two K1+ and one Zn2+ atom.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-653454
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; K2ZnCl4; Cl-K-Zn
OSTI Identifier:
1281219
DOI:
10.17188/1281219

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on K2ZnCl4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1281219.
Persson, Kristin, & Project, Materials. Materials Data on K2ZnCl4 by Materials Project. United States. doi:10.17188/1281219.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on K2ZnCl4 by Materials Project". United States. doi:10.17188/1281219. https://www.osti.gov/servlets/purl/1281219. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1281219,
title = {Materials Data on K2ZnCl4 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {K2ZnCl4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 1-coordinate geometry to eight Cl1- atoms. There are a spread of K–Cl bond distances ranging from 3.07–3.77 Å. In the second K1+ site, K1+ is bonded in a 7-coordinate geometry to seven Cl1- atoms. There are a spread of K–Cl bond distances ranging from 3.20–3.34 Å. Zn2+ is bonded in a tetrahedral geometry to four Cl1- atoms. There are a spread of Zn–Cl bond distances ranging from 2.26–2.31 Å. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 1-coordinate geometry to four K1+ and one Zn2+ atom. In the second Cl1- site, Cl1- is bonded in a 1-coordinate geometry to five K1+ and one Zn2+ atom. In the third Cl1- site, Cl1- is bonded in a distorted T-shaped geometry to two K1+ and one Zn2+ atom.},
doi = {10.17188/1281219},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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