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Title: Materials Data on CsAgCl2 by Materials Project

Abstract

CsAgCl2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Cs1+ is bonded in a body-centered cubic geometry to eight Cl1- atoms. There are a spread of Cs–Cl bond distances ranging from 3.54–3.70 Å. Ag1+ is bonded to five Cl1- atoms to form a mixture of edge and corner-sharing AgCl5 trigonal bipyramids. There are a spread of Ag–Cl bond distances ranging from 2.56–2.92 Å. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded to two equivalent Cs1+ and four equivalent Ag1+ atoms to form a mixture of distorted edge and corner-sharing ClCs2Ag4 octahedra. The corner-sharing octahedral tilt angles are 18°. In the second Cl1- site, Cl1- is bonded in a 1-coordinate geometry to six equivalent Cs1+ and one Ag1+ atom.

Publication Date:
Other Number(s):
mp-542772
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; CsAgCl2; Ag-Cl-Cs
OSTI Identifier:
1266716
DOI:
10.17188/1266716

Citation Formats

The Materials Project. Materials Data on CsAgCl2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1266716.
The Materials Project. Materials Data on CsAgCl2 by Materials Project. United States. doi:10.17188/1266716.
The Materials Project. 2020. "Materials Data on CsAgCl2 by Materials Project". United States. doi:10.17188/1266716. https://www.osti.gov/servlets/purl/1266716. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1266716,
title = {Materials Data on CsAgCl2 by Materials Project},
author = {The Materials Project},
abstractNote = {CsAgCl2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Cs1+ is bonded in a body-centered cubic geometry to eight Cl1- atoms. There are a spread of Cs–Cl bond distances ranging from 3.54–3.70 Å. Ag1+ is bonded to five Cl1- atoms to form a mixture of edge and corner-sharing AgCl5 trigonal bipyramids. There are a spread of Ag–Cl bond distances ranging from 2.56–2.92 Å. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded to two equivalent Cs1+ and four equivalent Ag1+ atoms to form a mixture of distorted edge and corner-sharing ClCs2Ag4 octahedra. The corner-sharing octahedral tilt angles are 18°. In the second Cl1- site, Cl1- is bonded in a 1-coordinate geometry to six equivalent Cs1+ and one Ag1+ atom.},
doi = {10.17188/1266716},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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