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Title: Materials Data on CsAgBr2 by Materials Project

Abstract

CsAgBr2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Cs1+ is bonded in a body-centered cubic geometry to eight Br1- atoms. There are a spread of Cs–Br bond distances ranging from 3.69–3.90 Å. Ag1+ is bonded to five Br1- atoms to form a mixture of edge and corner-sharing AgBr5 trigonal bipyramids. There are a spread of Ag–Br bond distances ranging from 2.68–3.06 Å. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 1-coordinate geometry to six equivalent Cs1+ and one Ag1+ atom. In the second Br1- site, Br1- is bonded to two equivalent Cs1+ and four equivalent Ag1+ atoms to form a mixture of distorted edge and corner-sharing BrCs2Ag4 octahedra. The corner-sharing octahedral tilt angles are 19°.

Authors:
Publication Date:
Other Number(s):
mp-23454
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; CsAgBr2; Ag-Br-Cs
OSTI Identifier:
1199523
DOI:
https://doi.org/10.17188/1199523

Citation Formats

The Materials Project. Materials Data on CsAgBr2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1199523.
The Materials Project. Materials Data on CsAgBr2 by Materials Project. United States. doi:https://doi.org/10.17188/1199523
The Materials Project. 2020. "Materials Data on CsAgBr2 by Materials Project". United States. doi:https://doi.org/10.17188/1199523. https://www.osti.gov/servlets/purl/1199523. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1199523,
title = {Materials Data on CsAgBr2 by Materials Project},
author = {The Materials Project},
abstractNote = {CsAgBr2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Cs1+ is bonded in a body-centered cubic geometry to eight Br1- atoms. There are a spread of Cs–Br bond distances ranging from 3.69–3.90 Å. Ag1+ is bonded to five Br1- atoms to form a mixture of edge and corner-sharing AgBr5 trigonal bipyramids. There are a spread of Ag–Br bond distances ranging from 2.68–3.06 Å. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 1-coordinate geometry to six equivalent Cs1+ and one Ag1+ atom. In the second Br1- site, Br1- is bonded to two equivalent Cs1+ and four equivalent Ag1+ atoms to form a mixture of distorted edge and corner-sharing BrCs2Ag4 octahedra. The corner-sharing octahedral tilt angles are 19°.},
doi = {10.17188/1199523},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}