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Title: Materials Data on CsPbF3 by Materials Project

Abstract

PbCsF3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent F1- atoms to form CsF12 cuboctahedra that share corners with twelve equivalent CsF12 cuboctahedra, faces with six equivalent CsF12 cuboctahedra, and faces with eight equivalent PbF6 octahedra. All Cs–F bond lengths are 3.47 Å. Pb2+ is bonded to six equivalent F1- atoms to form PbF6 octahedra that share corners with six equivalent PbF6 octahedra and faces with eight equivalent CsF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Pb–F bond lengths are 2.45 Å. F1- is bonded to four equivalent Cs1+ and two equivalent Pb2+ atoms to form a mixture of distorted edge, face, and corner-sharing FCs4Pb2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°.

Publication Date:
Other Number(s):
mp-5811
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; CsPbF3; Cs-F-Pb
OSTI Identifier:
1276811
DOI:
https://doi.org/10.17188/1276811

Citation Formats

The Materials Project. Materials Data on CsPbF3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1276811.
The Materials Project. Materials Data on CsPbF3 by Materials Project. United States. doi:https://doi.org/10.17188/1276811
The Materials Project. 2020. "Materials Data on CsPbF3 by Materials Project". United States. doi:https://doi.org/10.17188/1276811. https://www.osti.gov/servlets/purl/1276811. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1276811,
title = {Materials Data on CsPbF3 by Materials Project},
author = {The Materials Project},
abstractNote = {PbCsF3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent F1- atoms to form CsF12 cuboctahedra that share corners with twelve equivalent CsF12 cuboctahedra, faces with six equivalent CsF12 cuboctahedra, and faces with eight equivalent PbF6 octahedra. All Cs–F bond lengths are 3.47 Å. Pb2+ is bonded to six equivalent F1- atoms to form PbF6 octahedra that share corners with six equivalent PbF6 octahedra and faces with eight equivalent CsF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Pb–F bond lengths are 2.45 Å. F1- is bonded to four equivalent Cs1+ and two equivalent Pb2+ atoms to form a mixture of distorted edge, face, and corner-sharing FCs4Pb2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°.},
doi = {10.17188/1276811},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}