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

Title: Materials Data on BiPbO2F by Materials Project

Abstract

BiPbO2F crystallizes in the triclinic P1 space group. The structure is two-dimensional and consists of one BiPbO2F sheet oriented in the (0, 0, 1) direction. Pb2+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Pb–O bond distances ranging from 2.37–2.43 Å. Bi3+ is bonded in a 7-coordinate geometry to four O2- and three equivalent F1- atoms. There are a spread of Bi–O bond distances ranging from 2.22–2.40 Å. There are a spread of Bi–F bond distances ranging from 2.61–2.65 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to one Pb2+ and three equivalent Bi3+ atoms to form distorted OBi3Pb tetrahedra that share corners with six equivalent OBi3Pb tetrahedra and edges with three equivalent OBiPb3 tetrahedra. In the second O2- site, O2- is bonded to three equivalent Pb2+ and one Bi3+ atom to form OBiPb3 tetrahedra that share corners with six equivalent OBiPb3 tetrahedra and edges with three equivalent OBi3Pb tetrahedra. F1- is bonded in a 3-coordinate geometry to three equivalent Bi3+ atoms.

Publication Date:
Other Number(s):
mp-1227424
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; BiPbO2F; Bi-F-O-Pb
OSTI Identifier:
1656008
DOI:
https://doi.org/10.17188/1656008

Citation Formats

The Materials Project. Materials Data on BiPbO2F by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1656008.
The Materials Project. Materials Data on BiPbO2F by Materials Project. United States. doi:https://doi.org/10.17188/1656008
The Materials Project. 2020. "Materials Data on BiPbO2F by Materials Project". United States. doi:https://doi.org/10.17188/1656008. https://www.osti.gov/servlets/purl/1656008. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1656008,
title = {Materials Data on BiPbO2F by Materials Project},
author = {The Materials Project},
abstractNote = {BiPbO2F crystallizes in the triclinic P1 space group. The structure is two-dimensional and consists of one BiPbO2F sheet oriented in the (0, 0, 1) direction. Pb2+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Pb–O bond distances ranging from 2.37–2.43 Å. Bi3+ is bonded in a 7-coordinate geometry to four O2- and three equivalent F1- atoms. There are a spread of Bi–O bond distances ranging from 2.22–2.40 Å. There are a spread of Bi–F bond distances ranging from 2.61–2.65 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to one Pb2+ and three equivalent Bi3+ atoms to form distorted OBi3Pb tetrahedra that share corners with six equivalent OBi3Pb tetrahedra and edges with three equivalent OBiPb3 tetrahedra. In the second O2- site, O2- is bonded to three equivalent Pb2+ and one Bi3+ atom to form OBiPb3 tetrahedra that share corners with six equivalent OBiPb3 tetrahedra and edges with three equivalent OBi3Pb tetrahedra. F1- is bonded in a 3-coordinate geometry to three equivalent Bi3+ atoms.},
doi = {10.17188/1656008},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}