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Title: Materials Data on Cs2PdBr6 by Materials Project

Abstract

Cs2PdBr6 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 PdBr6 octahedra. All Cs–Br bond lengths are 3.89 Å. Pd4+ is bonded to six equivalent Br1- atoms to form PdBr6 octahedra that share faces with eight equivalent CsBr12 cuboctahedra. All Pd–Br bond lengths are 2.52 Å. Br1- is bonded in a distorted single-bond geometry to four equivalent Cs1+ and one Pd4+ atom.

Authors:
Publication Date:
Other Number(s):
mp-1205847
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; Cs2PdBr6; Br-Cs-Pd
OSTI Identifier:
1689103
DOI:
https://doi.org/10.17188/1689103

Citation Formats

The Materials Project. Materials Data on Cs2PdBr6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1689103.
The Materials Project. Materials Data on Cs2PdBr6 by Materials Project. United States. doi:https://doi.org/10.17188/1689103
The Materials Project. 2020. "Materials Data on Cs2PdBr6 by Materials Project". United States. doi:https://doi.org/10.17188/1689103. https://www.osti.gov/servlets/purl/1689103. Pub date:Sat May 09 00:00:00 EDT 2020
@article{osti_1689103,
title = {Materials Data on Cs2PdBr6 by Materials Project},
author = {The Materials Project},
abstractNote = {Cs2PdBr6 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 PdBr6 octahedra. All Cs–Br bond lengths are 3.89 Å. Pd4+ is bonded to six equivalent Br1- atoms to form PdBr6 octahedra that share faces with eight equivalent CsBr12 cuboctahedra. All Pd–Br bond lengths are 2.52 Å. Br1- is bonded in a distorted single-bond geometry to four equivalent Cs1+ and one Pd4+ atom.},
doi = {10.17188/1689103},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}