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Title: Materials Data on BiPbF5 by Materials Project

Abstract

PbBiF5 crystallizes in the triclinic P1 space group. The structure is three-dimensional. Pb2+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Pb–F bond distances ranging from 2.39–3.03 Å. Bi3+ is bonded in a 5-coordinate geometry to six F1- atoms. There are a spread of Bi–F bond distances ranging from 2.19–2.91 Å. There are five inequivalent F1- sites. In the first F1- site, F1- is bonded in a 2-coordinate geometry to three equivalent Pb2+ and one Bi3+ atom. In the second F1- site, F1- is bonded in a distorted water-like geometry to one Pb2+ and one Bi3+ atom. In the third F1- site, F1- is bonded in a 4-coordinate geometry to three equivalent Pb2+ and one Bi3+ atom. In the fourth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two equivalent Bi3+ atoms. In the fifth F1- site, F1- is bonded in a 2-coordinate geometry to one Pb2+ and one Bi3+ atom.

Publication Date:
Other Number(s):
mp-35795
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; BiPbF5; Bi-F-Pb
OSTI Identifier:
1207076
DOI:
https://doi.org/10.17188/1207076

Citation Formats

The Materials Project. Materials Data on BiPbF5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1207076.
The Materials Project. Materials Data on BiPbF5 by Materials Project. United States. doi:https://doi.org/10.17188/1207076
The Materials Project. 2020. "Materials Data on BiPbF5 by Materials Project". United States. doi:https://doi.org/10.17188/1207076. https://www.osti.gov/servlets/purl/1207076. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1207076,
title = {Materials Data on BiPbF5 by Materials Project},
author = {The Materials Project},
abstractNote = {PbBiF5 crystallizes in the triclinic P1 space group. The structure is three-dimensional. Pb2+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Pb–F bond distances ranging from 2.39–3.03 Å. Bi3+ is bonded in a 5-coordinate geometry to six F1- atoms. There are a spread of Bi–F bond distances ranging from 2.19–2.91 Å. There are five inequivalent F1- sites. In the first F1- site, F1- is bonded in a 2-coordinate geometry to three equivalent Pb2+ and one Bi3+ atom. In the second F1- site, F1- is bonded in a distorted water-like geometry to one Pb2+ and one Bi3+ atom. In the third F1- site, F1- is bonded in a 4-coordinate geometry to three equivalent Pb2+ and one Bi3+ atom. In the fourth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two equivalent Bi3+ atoms. In the fifth F1- site, F1- is bonded in a 2-coordinate geometry to one Pb2+ and one Bi3+ atom.},
doi = {10.17188/1207076},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}