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Title: Materials Data on Na3FeO4 by Materials Project

Abstract

Na3FeO4 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. there are three inequivalent Na sites. In the first Na site, Na is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Na–O bond distances ranging from 2.28–2.75 Å. In the second Na site, Na is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Na–O bond distances ranging from 2.32–2.81 Å. In the third Na site, Na is bonded in a 3-coordinate geometry to six O atoms. There are a spread of Na–O bond distances ranging from 2.33–2.97 Å. Fe is bonded in a tetrahedral geometry to four O atoms. There are a spread of Fe–O bond distances ranging from 1.73–1.75 Å. There are four inequivalent O sites. In the first O site, O is bonded in a 1-coordinate geometry to four Na and one Fe atom. In the second O site, O is bonded in a 4-coordinate geometry to five Na and one Fe atom. In the third O site, O is bonded in a 1-coordinate geometry to four Na and one Fe atom. In the fourth O site, O is bonded in a 1-coordinate geometrymore » to five Na and one Fe atom.« less

Publication Date:
Other Number(s):
mp-774374
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; Na3FeO4; Fe-Na-O
OSTI Identifier:
1302536
DOI:
10.17188/1302536

Citation Formats

The Materials Project. Materials Data on Na3FeO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1302536.
The Materials Project. Materials Data on Na3FeO4 by Materials Project. United States. doi:10.17188/1302536.
The Materials Project. 2020. "Materials Data on Na3FeO4 by Materials Project". United States. doi:10.17188/1302536. https://www.osti.gov/servlets/purl/1302536. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1302536,
title = {Materials Data on Na3FeO4 by Materials Project},
author = {The Materials Project},
abstractNote = {Na3FeO4 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. there are three inequivalent Na sites. In the first Na site, Na is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Na–O bond distances ranging from 2.28–2.75 Å. In the second Na site, Na is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Na–O bond distances ranging from 2.32–2.81 Å. In the third Na site, Na is bonded in a 3-coordinate geometry to six O atoms. There are a spread of Na–O bond distances ranging from 2.33–2.97 Å. Fe is bonded in a tetrahedral geometry to four O atoms. There are a spread of Fe–O bond distances ranging from 1.73–1.75 Å. There are four inequivalent O sites. In the first O site, O is bonded in a 1-coordinate geometry to four Na and one Fe atom. In the second O site, O is bonded in a 4-coordinate geometry to five Na and one Fe atom. In the third O site, O is bonded in a 1-coordinate geometry to four Na and one Fe atom. In the fourth O site, O is bonded in a 1-coordinate geometry to five Na and one Fe atom.},
doi = {10.17188/1302536},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

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