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Title: Materials Data on BiOF by Materials Project

Abstract

BiOF crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. there are two inequivalent Bi3+ sites. In the first Bi3+ site, Bi3+ is bonded in a 7-coordinate geometry to three O2- and four F1- atoms. There are a spread of Bi–O bond distances ranging from 2.25–2.28 Å. There are a spread of Bi–F bond distances ranging from 2.51–2.75 Å. In the second Bi3+ site, Bi3+ is bonded in a body-centered cubic geometry to four O2- and four F1- atoms. There are a spread of Bi–O bond distances ranging from 2.27–2.64 Å. There are a spread of Bi–F bond distances ranging from 2.38–2.78 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to three Bi3+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to four Bi3+ atoms. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a 4-coordinate geometry to four Bi3+ atoms. In the second F1- site, F1- is bonded to four Bi3+ atoms to form distorted edge-sharing FBi4 tetrahedra.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-759870
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; BiOF; Bi-F-O
OSTI Identifier:
1291517
DOI:
10.17188/1291517

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on BiOF by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1291517.
Persson, Kristin, & Project, Materials. Materials Data on BiOF by Materials Project. United States. doi:10.17188/1291517.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on BiOF by Materials Project". United States. doi:10.17188/1291517. https://www.osti.gov/servlets/purl/1291517. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1291517,
title = {Materials Data on BiOF by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {BiOF crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. there are two inequivalent Bi3+ sites. In the first Bi3+ site, Bi3+ is bonded in a 7-coordinate geometry to three O2- and four F1- atoms. There are a spread of Bi–O bond distances ranging from 2.25–2.28 Å. There are a spread of Bi–F bond distances ranging from 2.51–2.75 Å. In the second Bi3+ site, Bi3+ is bonded in a body-centered cubic geometry to four O2- and four F1- atoms. There are a spread of Bi–O bond distances ranging from 2.27–2.64 Å. There are a spread of Bi–F bond distances ranging from 2.38–2.78 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to three Bi3+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to four Bi3+ atoms. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a 4-coordinate geometry to four Bi3+ atoms. In the second F1- site, F1- is bonded to four Bi3+ atoms to form distorted edge-sharing FBi4 tetrahedra.},
doi = {10.17188/1291517},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

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