Materials Data on BaFeO4 by Materials Project
Abstract
BaFeO4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ba is bonded in a 12-coordinate geometry to twelve O atoms. There are a spread of Ba–O bond distances ranging from 2.76–3.41 Å. Fe is bonded in a tetrahedral geometry to four O atoms. There are a spread of Fe–O bond distances ranging from 1.64–1.67 Å. There are three inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to three equivalent Ba and one Fe atom. In the second O site, O is bonded in a distorted single-bond geometry to three equivalent Ba and one Fe atom. In the third O site, O is bonded in a distorted single-bond geometry to three equivalent Ba and one Fe atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1214471
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- 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)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; BaFeO4; Ba-Fe-O
- OSTI Identifier:
- 1685255
- DOI:
- https://doi.org/10.17188/1685255
Citation Formats
The Materials Project. Materials Data on BaFeO4 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1685255.
The Materials Project. Materials Data on BaFeO4 by Materials Project. United States. doi:https://doi.org/10.17188/1685255
The Materials Project. 2019.
"Materials Data on BaFeO4 by Materials Project". United States. doi:https://doi.org/10.17188/1685255. https://www.osti.gov/servlets/purl/1685255. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1685255,
title = {Materials Data on BaFeO4 by Materials Project},
author = {The Materials Project},
abstractNote = {BaFeO4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ba is bonded in a 12-coordinate geometry to twelve O atoms. There are a spread of Ba–O bond distances ranging from 2.76–3.41 Å. Fe is bonded in a tetrahedral geometry to four O atoms. There are a spread of Fe–O bond distances ranging from 1.64–1.67 Å. There are three inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to three equivalent Ba and one Fe atom. In the second O site, O is bonded in a distorted single-bond geometry to three equivalent Ba and one Fe atom. In the third O site, O is bonded in a distorted single-bond geometry to three equivalent Ba and one Fe atom.},
doi = {10.17188/1685255},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat Jan 12 00:00:00 EST 2019},
month = {Sat Jan 12 00:00:00 EST 2019}
}
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