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Title: Materials Data on Bi3O4F by Materials Project

Abstract

Bi3O4F crystallizes in the monoclinic P2/c space group. The structure is three-dimensional. there are two inequivalent Bi3+ sites. In the first Bi3+ site, Bi3+ is bonded to three O2- and two equivalent F1- atoms to form a mixture of distorted edge and corner-sharing BiO3F2 square pyramids. There are a spread of Bi–O bond distances ranging from 2.13–2.17 Å. There are one shorter (2.66 Å) and one longer (2.73 Å) Bi–F bond lengths. In the second Bi3+ site, Bi3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Bi–O bond distances ranging from 2.26–2.63 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 distorted trigonal planar geometry to three Bi3+ atoms. F1- is bonded in a distorted rectangular see-saw-like geometry to four equivalent Bi3+ atoms.

Publication Date:
Other Number(s):
mp-757162
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; Bi3O4F; Bi-F-O
OSTI Identifier:
1290725
DOI:
https://doi.org/10.17188/1290725

Citation Formats

The Materials Project. Materials Data on Bi3O4F by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1290725.
The Materials Project. Materials Data on Bi3O4F by Materials Project. United States. doi:https://doi.org/10.17188/1290725
The Materials Project. 2020. "Materials Data on Bi3O4F by Materials Project". United States. doi:https://doi.org/10.17188/1290725. https://www.osti.gov/servlets/purl/1290725. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1290725,
title = {Materials Data on Bi3O4F by Materials Project},
author = {The Materials Project},
abstractNote = {Bi3O4F crystallizes in the monoclinic P2/c space group. The structure is three-dimensional. there are two inequivalent Bi3+ sites. In the first Bi3+ site, Bi3+ is bonded to three O2- and two equivalent F1- atoms to form a mixture of distorted edge and corner-sharing BiO3F2 square pyramids. There are a spread of Bi–O bond distances ranging from 2.13–2.17 Å. There are one shorter (2.66 Å) and one longer (2.73 Å) Bi–F bond lengths. In the second Bi3+ site, Bi3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Bi–O bond distances ranging from 2.26–2.63 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 distorted trigonal planar geometry to three Bi3+ atoms. F1- is bonded in a distorted rectangular see-saw-like geometry to four equivalent Bi3+ atoms.},
doi = {10.17188/1290725},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}