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Title: Materials Data on Cs2PbClF6 by Materials Project

Abstract

(Cs2PbF6)2Cl2 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of four hydrochloric acid molecules and one Cs2PbF6 framework. In the Cs2PbF6 framework, Cs is bonded to twelve equivalent F atoms to form CsF12 cuboctahedra that share corners with twelve equivalent CsF12 cuboctahedra, faces with six equivalent CsF12 cuboctahedra, and faces with four equivalent PbF6 octahedra. All Cs–F bond lengths are 3.54 Å. Pb is bonded to six equivalent F atoms to form PbF6 octahedra that share faces with eight equivalent CsF12 cuboctahedra. All Pb–F bond lengths are 2.12 Å. F is bonded in a single-bond geometry to four equivalent Cs and one Pb atom.

Publication Date:
Other Number(s):
mp-989549
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; Cs2PbClF6; Cl-Cs-F-Pb
OSTI Identifier:
1316848
DOI:
10.17188/1316848

Citation Formats

The Materials Project. Materials Data on Cs2PbClF6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1316848.
The Materials Project. Materials Data on Cs2PbClF6 by Materials Project. United States. doi:10.17188/1316848.
The Materials Project. 2020. "Materials Data on Cs2PbClF6 by Materials Project". United States. doi:10.17188/1316848. https://www.osti.gov/servlets/purl/1316848. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1316848,
title = {Materials Data on Cs2PbClF6 by Materials Project},
author = {The Materials Project},
abstractNote = {(Cs2PbF6)2Cl2 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of four hydrochloric acid molecules and one Cs2PbF6 framework. In the Cs2PbF6 framework, Cs is bonded to twelve equivalent F atoms to form CsF12 cuboctahedra that share corners with twelve equivalent CsF12 cuboctahedra, faces with six equivalent CsF12 cuboctahedra, and faces with four equivalent PbF6 octahedra. All Cs–F bond lengths are 3.54 Å. Pb is bonded to six equivalent F atoms to form PbF6 octahedra that share faces with eight equivalent CsF12 cuboctahedra. All Pb–F bond lengths are 2.12 Å. F is bonded in a single-bond geometry to four equivalent Cs and one Pb atom.},
doi = {10.17188/1316848},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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