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Title: Materials Data on Cs2SnBr6 by Materials Project

Abstract

Cs2SnBr6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent Br1- atoms to form CsBr12 cuboctahedra that share corners with twelve equivalent CsBr12 cuboctahedra, faces with six equivalent CsBr12 cuboctahedra, and faces with four equivalent SnBr6 octahedra. All Cs–Br bond lengths are 3.98 Å. Sn4+ is bonded to six equivalent Br1- atoms to form SnBr6 octahedra that share faces with eight equivalent CsBr12 cuboctahedra. All Sn–Br bond lengths are 2.66 Å. Br1- is bonded in a distorted single-bond geometry to four equivalent Cs1+ and one Sn4+ atom.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-641923
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; Cs2SnBr6; Br-Cs-Sn
OSTI Identifier:
1280074
DOI:
10.17188/1280074

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Cs2SnBr6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1280074.
Persson, Kristin, & Project, Materials. Materials Data on Cs2SnBr6 by Materials Project. United States. doi:10.17188/1280074.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Cs2SnBr6 by Materials Project". United States. doi:10.17188/1280074. https://www.osti.gov/servlets/purl/1280074. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1280074,
title = {Materials Data on Cs2SnBr6 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Cs2SnBr6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent Br1- atoms to form CsBr12 cuboctahedra that share corners with twelve equivalent CsBr12 cuboctahedra, faces with six equivalent CsBr12 cuboctahedra, and faces with four equivalent SnBr6 octahedra. All Cs–Br bond lengths are 3.98 Å. Sn4+ is bonded to six equivalent Br1- atoms to form SnBr6 octahedra that share faces with eight equivalent CsBr12 cuboctahedra. All Sn–Br bond lengths are 2.66 Å. Br1- is bonded in a distorted single-bond geometry to four equivalent Cs1+ and one Sn4+ atom.},
doi = {10.17188/1280074},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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