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Title: Materials Data on PbBrF by Materials Project

Abstract

PbFBr is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Pb2+ is bonded in a 4-coordinate geometry to five equivalent Br1- and four equivalent F1- atoms. There are four shorter (3.23 Å) and one longer (3.53 Å) Pb–Br bond lengths. All Pb–F bond lengths are 2.59 Å. Br1- is bonded in a 9-coordinate geometry to five equivalent Pb2+ and four equivalent F1- atoms. All Br–F bond lengths are 3.46 Å. F1- is bonded to four equivalent Pb2+ and four equivalent Br1- atoms to form a mixture of edge and face-sharing FPb4Br4 tetrahedra.

Publication Date:
Other Number(s):
mp-23008
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; PbBrF; Br-F-Pb
OSTI Identifier:
1199160
DOI:
10.17188/1199160

Citation Formats

The Materials Project. Materials Data on PbBrF by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1199160.
The Materials Project. Materials Data on PbBrF by Materials Project. United States. doi:10.17188/1199160.
The Materials Project. 2020. "Materials Data on PbBrF by Materials Project". United States. doi:10.17188/1199160. https://www.osti.gov/servlets/purl/1199160. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1199160,
title = {Materials Data on PbBrF by Materials Project},
author = {The Materials Project},
abstractNote = {PbFBr is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Pb2+ is bonded in a 4-coordinate geometry to five equivalent Br1- and four equivalent F1- atoms. There are four shorter (3.23 Å) and one longer (3.53 Å) Pb–Br bond lengths. All Pb–F bond lengths are 2.59 Å. Br1- is bonded in a 9-coordinate geometry to five equivalent Pb2+ and four equivalent F1- atoms. All Br–F bond lengths are 3.46 Å. F1- is bonded to four equivalent Pb2+ and four equivalent Br1- atoms to form a mixture of edge and face-sharing FPb4Br4 tetrahedra.},
doi = {10.17188/1199160},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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