DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on Cs2PtBr6 by Materials Project

Abstract

Cs2PtBr6 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 PtBr6 octahedra. All Cs–Br bond lengths are 3.91 Å. Pt4+ is bonded to six equivalent Br1- atoms to form PtBr6 octahedra that share faces with eight equivalent CsBr12 cuboctahedra. All Pt–Br bond lengths are 2.51 Å. Br1- is bonded in a distorted single-bond geometry to four equivalent Cs1+ and one Pt4+ atom.

Authors:
Publication Date:
Other Number(s):
mp-30062
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; Cs2PtBr6; Br-Cs-Pt
OSTI Identifier:
1204490
DOI:
https://doi.org/10.17188/1204490

Citation Formats

The Materials Project. Materials Data on Cs2PtBr6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1204490.
The Materials Project. Materials Data on Cs2PtBr6 by Materials Project. United States. doi:https://doi.org/10.17188/1204490
The Materials Project. 2020. "Materials Data on Cs2PtBr6 by Materials Project". United States. doi:https://doi.org/10.17188/1204490. https://www.osti.gov/servlets/purl/1204490. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1204490,
title = {Materials Data on Cs2PtBr6 by Materials Project},
author = {The Materials Project},
abstractNote = {Cs2PtBr6 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 PtBr6 octahedra. All Cs–Br bond lengths are 3.91 Å. Pt4+ is bonded to six equivalent Br1- atoms to form PtBr6 octahedra that share faces with eight equivalent CsBr12 cuboctahedra. All Pt–Br bond lengths are 2.51 Å. Br1- is bonded in a distorted single-bond geometry to four equivalent Cs1+ and one Pt4+ atom.},
doi = {10.17188/1204490},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}