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Title: Materials Data on CsSrBr3 by Materials Project

Abstract

CsSrBr3 crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. Cs1+ is bonded in a 8-coordinate geometry to eight Br1- atoms. There are a spread of Cs–Br bond distances ranging from 3.63–3.93 Å. Sr2+ is bonded to six Br1- atoms to form a mixture of corner and edge-sharing SrBr6 octahedra. The corner-sharing octahedral tilt angles are 39°. There are a spread of Sr–Br bond distances ranging from 3.05–3.11 Å. There are three inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 5-coordinate geometry to three equivalent Cs1+ and two equivalent Sr2+ atoms. In the second Br1- site, Br1- is bonded in a 5-coordinate geometry to three equivalent Cs1+ and two equivalent Sr2+ atoms. In the third Br1- site, Br1- is bonded in a 4-coordinate geometry to two equivalent Cs1+ and two equivalent Sr2+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-998433
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; CsSrBr3; Br-Cs-Sr
OSTI Identifier:
1317335
DOI:
https://doi.org/10.17188/1317335

Citation Formats

The Materials Project. Materials Data on CsSrBr3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1317335.
The Materials Project. Materials Data on CsSrBr3 by Materials Project. United States. doi:https://doi.org/10.17188/1317335
The Materials Project. 2020. "Materials Data on CsSrBr3 by Materials Project". United States. doi:https://doi.org/10.17188/1317335. https://www.osti.gov/servlets/purl/1317335. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1317335,
title = {Materials Data on CsSrBr3 by Materials Project},
author = {The Materials Project},
abstractNote = {CsSrBr3 crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. Cs1+ is bonded in a 8-coordinate geometry to eight Br1- atoms. There are a spread of Cs–Br bond distances ranging from 3.63–3.93 Å. Sr2+ is bonded to six Br1- atoms to form a mixture of corner and edge-sharing SrBr6 octahedra. The corner-sharing octahedral tilt angles are 39°. There are a spread of Sr–Br bond distances ranging from 3.05–3.11 Å. There are three inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 5-coordinate geometry to three equivalent Cs1+ and two equivalent Sr2+ atoms. In the second Br1- site, Br1- is bonded in a 5-coordinate geometry to three equivalent Cs1+ and two equivalent Sr2+ atoms. In the third Br1- site, Br1- is bonded in a 4-coordinate geometry to two equivalent Cs1+ and two equivalent Sr2+ atoms.},
doi = {10.17188/1317335},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}