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Title: Materials Data on NaCr2FeO10 by Materials Project

Abstract

NaCr2FeO10 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Na is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Na–O bond distances ranging from 2.45–2.82 Å. Cr is bonded to four O atoms to form CrO4 tetrahedra that share corners with two equivalent FeO6 octahedra. The corner-sharing octahedra tilt angles range from 35–48°. There are a spread of Cr–O bond distances ranging from 1.62–1.74 Å. Fe is bonded to six O atoms to form FeO6 octahedra that share corners with four equivalent CrO4 tetrahedra. There are a spread of Fe–O bond distances ranging from 1.84–1.99 Å. There are five inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one Fe atom. In the second O site, O is bonded in a distorted bent 150 degrees geometry to one Na, one Cr, and one Fe atom. In the third O site, O is bonded in a distorted trigonal planar geometry to one Na, one Cr, and one Fe atom. In the fourth O site, O is bonded in a distorted bent 150 degrees geometry to one Na and one Cr atom. In the fifth Omore » site, O is bonded in a single-bond geometry to one Na and one Cr atom.« less

Authors:
Publication Date:
Other Number(s):
mp-1193386
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; NaCr2FeO10; Cr-Fe-Na-O
OSTI Identifier:
1751517
DOI:
https://doi.org/10.17188/1751517

Citation Formats

The Materials Project. Materials Data on NaCr2FeO10 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1751517.
The Materials Project. Materials Data on NaCr2FeO10 by Materials Project. United States. doi:https://doi.org/10.17188/1751517
The Materials Project. 2020. "Materials Data on NaCr2FeO10 by Materials Project". United States. doi:https://doi.org/10.17188/1751517. https://www.osti.gov/servlets/purl/1751517. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1751517,
title = {Materials Data on NaCr2FeO10 by Materials Project},
author = {The Materials Project},
abstractNote = {NaCr2FeO10 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Na is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Na–O bond distances ranging from 2.45–2.82 Å. Cr is bonded to four O atoms to form CrO4 tetrahedra that share corners with two equivalent FeO6 octahedra. The corner-sharing octahedra tilt angles range from 35–48°. There are a spread of Cr–O bond distances ranging from 1.62–1.74 Å. Fe is bonded to six O atoms to form FeO6 octahedra that share corners with four equivalent CrO4 tetrahedra. There are a spread of Fe–O bond distances ranging from 1.84–1.99 Å. There are five inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one Fe atom. In the second O site, O is bonded in a distorted bent 150 degrees geometry to one Na, one Cr, and one Fe atom. In the third O site, O is bonded in a distorted trigonal planar geometry to one Na, one Cr, and one Fe atom. In the fourth O site, O is bonded in a distorted bent 150 degrees geometry to one Na and one Cr atom. In the fifth O site, O is bonded in a single-bond geometry to one Na and one Cr atom.},
doi = {10.17188/1751517},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}