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Title: Materials Data on Cs4PbCl6 by Materials Project

Abstract

Cs4PbCl6 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 6-coordinate geometry to six equivalent Cl1- atoms. All Cs–Cl bond lengths are 3.45 Å. In the second Cs1+ site, Cs1+ is bonded in a 8-coordinate geometry to eight equivalent Cl1- atoms. There are a spread of Cs–Cl bond distances ranging from 3.64–3.78 Å. Pb2+ is bonded in an octahedral geometry to six equivalent Cl1- atoms. All Pb–Cl bond lengths are 2.93 Å. Cl1- is bonded to five Cs1+ and one Pb2+ atom to form a mixture of distorted face, edge, and corner-sharing ClCs5Pb octahedra. The corner-sharing octahedra tilt angles range from 0–65°.

Publication Date:
Other Number(s):
mp-1190733
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; Cs4PbCl6; Cl-Cs-Pb
OSTI Identifier:
1743754
DOI:
https://doi.org/10.17188/1743754

Citation Formats

The Materials Project. Materials Data on Cs4PbCl6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1743754.
The Materials Project. Materials Data on Cs4PbCl6 by Materials Project. United States. doi:https://doi.org/10.17188/1743754
The Materials Project. 2020. "Materials Data on Cs4PbCl6 by Materials Project". United States. doi:https://doi.org/10.17188/1743754. https://www.osti.gov/servlets/purl/1743754. Pub date:Sat May 09 00:00:00 EDT 2020
@article{osti_1743754,
title = {Materials Data on Cs4PbCl6 by Materials Project},
author = {The Materials Project},
abstractNote = {Cs4PbCl6 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 6-coordinate geometry to six equivalent Cl1- atoms. All Cs–Cl bond lengths are 3.45 Å. In the second Cs1+ site, Cs1+ is bonded in a 8-coordinate geometry to eight equivalent Cl1- atoms. There are a spread of Cs–Cl bond distances ranging from 3.64–3.78 Å. Pb2+ is bonded in an octahedral geometry to six equivalent Cl1- atoms. All Pb–Cl bond lengths are 2.93 Å. Cl1- is bonded to five Cs1+ and one Pb2+ atom to form a mixture of distorted face, edge, and corner-sharing ClCs5Pb octahedra. The corner-sharing octahedra tilt angles range from 0–65°.},
doi = {10.17188/1743754},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}