U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Bi3O4F by Materials Project
Abstract
Bi3O4F crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Bi3+ sites. In the first Bi3+ site, Bi3+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Bi–O bond distances ranging from 2.21–2.62 Å. In the second Bi3+ site, Bi3+ is bonded in a 7-coordinate geometry to five O2- and two equivalent F1- atoms. There are a spread of Bi–O bond distances ranging from 2.17–2.85 Å. Both Bi–F bond lengths are 2.85 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to three Bi3+ atoms. In the second O2- site, O2- is bonded to four Bi3+ atoms to form corner-sharing OBi4 tetrahedra. In the third O2- site, O2- is bonded in a 4-coordinate geometry to four Bi3+ atoms. F1- is bonded in a distorted square co-planar geometry to four equivalent Bi3+ atoms.
- Publication Date:
- Other Number(s):
- mp-753600
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; Bi-F-O; Bi3O4F; crystal structure
- OSTI Identifier:
- 1289069
- DOI:
- https://doi.org/10.17188/1289069
Citation Formats
Materials Data on Bi3O4F by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1289069.
Materials Data on Bi3O4F by Materials Project. United States. doi:https://doi.org/10.17188/1289069
2020.
"Materials Data on Bi3O4F by Materials Project". United States. doi:https://doi.org/10.17188/1289069. https://www.osti.gov/servlets/purl/1289069. Pub date:Sat May 02 04:00:00 UTC 2020
@article{osti_1289069,
title = {Materials Data on Bi3O4F by Materials Project},
abstractNote = {Bi3O4F crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Bi3+ sites. In the first Bi3+ site, Bi3+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Bi–O bond distances ranging from 2.21–2.62 Å. In the second Bi3+ site, Bi3+ is bonded in a 7-coordinate geometry to five O2- and two equivalent F1- atoms. There are a spread of Bi–O bond distances ranging from 2.17–2.85 Å. Both Bi–F bond lengths are 2.85 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to three Bi3+ atoms. In the second O2- site, O2- is bonded to four Bi3+ atoms to form corner-sharing OBi4 tetrahedra. In the third O2- site, O2- is bonded in a 4-coordinate geometry to four Bi3+ atoms. F1- is bonded in a distorted square co-planar geometry to four equivalent Bi3+ atoms.},
doi = {10.17188/1289069},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}