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

Title: Materials Data on CsPbF3 by Materials Project

Abstract

PbCsF3 is Orthorhombic Perovskite-like structured and crystallizes in the trigonal R3c space group. The structure is three-dimensional. Cs1+ is bonded in a 9-coordinate geometry to nine equivalent F1- atoms. There are a spread of Cs–F bond distances ranging from 3.12–3.65 Å. Pb2+ is bonded to six equivalent F1- atoms to form corner-sharing PbF6 octahedra. The corner-sharing octahedral tilt angles are 19°. There are three shorter (2.41 Å) and three longer (2.54 Å) Pb–F bond lengths. F1- is bonded in a 5-coordinate geometry to three equivalent Cs1+ and two equivalent Pb2+ atoms.

Publication Date:
Other Number(s):
mp-20282
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:
1195412
DOI:
https://doi.org/10.17188/1195412

Citation Formats

The Materials Project. Materials Data on CsPbF3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1195412.
The Materials Project. Materials Data on CsPbF3 by Materials Project. United States. doi:https://doi.org/10.17188/1195412
The Materials Project. 2020. "Materials Data on CsPbF3 by Materials Project". United States. doi:https://doi.org/10.17188/1195412. https://www.osti.gov/servlets/purl/1195412. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1195412,
title = {Materials Data on CsPbF3 by Materials Project},
author = {The Materials Project},
abstractNote = {PbCsF3 is Orthorhombic Perovskite-like structured and crystallizes in the trigonal R3c space group. The structure is three-dimensional. Cs1+ is bonded in a 9-coordinate geometry to nine equivalent F1- atoms. There are a spread of Cs–F bond distances ranging from 3.12–3.65 Å. Pb2+ is bonded to six equivalent F1- atoms to form corner-sharing PbF6 octahedra. The corner-sharing octahedral tilt angles are 19°. There are three shorter (2.41 Å) and three longer (2.54 Å) Pb–F bond lengths. F1- is bonded in a 5-coordinate geometry to three equivalent Cs1+ and two equivalent Pb2+ atoms.},
doi = {10.17188/1195412},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}