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Title: Materials Data on Cs2MgCl4 by Materials Project

Abstract

Cs2MgCl4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 8-coordinate geometry to eight Cl1- atoms. There are a spread of Cs–Cl bond distances ranging from 3.55–4.03 Å. In the second Cs1+ site, Cs1+ is bonded in a 9-coordinate geometry to nine Cl1- atoms. There are a spread of Cs–Cl bond distances ranging from 3.54–4.04 Å. Mg2+ is bonded in a tetrahedral geometry to four Cl1- atoms. There are three shorter (2.34 Å) and one longer (2.35 Å) Mg–Cl bond lengths. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted single-bond geometry to four Cs1+ and one Mg2+ atom. In the second Cl1- site, Cl1- is bonded in a distorted single-bond geometry to four Cs1+ and one Mg2+ atom. In the third Cl1- site, Cl1- is bonded in a distorted single-bond geometry to five Cs1+ and one Mg2+ atom.

Publication Date:
Other Number(s):
mp-568909
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; Cs2MgCl4; Cl-Cs-Mg
OSTI Identifier:
1274802
DOI:
10.17188/1274802

Citation Formats

The Materials Project. Materials Data on Cs2MgCl4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1274802.
The Materials Project. Materials Data on Cs2MgCl4 by Materials Project. United States. doi:10.17188/1274802.
The Materials Project. 2020. "Materials Data on Cs2MgCl4 by Materials Project". United States. doi:10.17188/1274802. https://www.osti.gov/servlets/purl/1274802. Pub date:Fri May 01 00:00:00 EDT 2020
@article{osti_1274802,
title = {Materials Data on Cs2MgCl4 by Materials Project},
author = {The Materials Project},
abstractNote = {Cs2MgCl4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 8-coordinate geometry to eight Cl1- atoms. There are a spread of Cs–Cl bond distances ranging from 3.55–4.03 Å. In the second Cs1+ site, Cs1+ is bonded in a 9-coordinate geometry to nine Cl1- atoms. There are a spread of Cs–Cl bond distances ranging from 3.54–4.04 Å. Mg2+ is bonded in a tetrahedral geometry to four Cl1- atoms. There are three shorter (2.34 Å) and one longer (2.35 Å) Mg–Cl bond lengths. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted single-bond geometry to four Cs1+ and one Mg2+ atom. In the second Cl1- site, Cl1- is bonded in a distorted single-bond geometry to four Cs1+ and one Mg2+ atom. In the third Cl1- site, Cl1- is bonded in a distorted single-bond geometry to five Cs1+ and one Mg2+ atom.},
doi = {10.17188/1274802},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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