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Title: Materials Data on NaFeAs by Materials Project

Abstract

NaFeAs is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Na1+ is bonded in a 5-coordinate geometry to five equivalent As3- atoms. There are four shorter (2.99 Å) and one longer (3.22 Å) Na–As bond lengths. Fe2+ is bonded to four equivalent As3- atoms to form a mixture of edge and corner-sharing FeAs4 tetrahedra. All Fe–As bond lengths are 2.35 Å. As3- is bonded in a 9-coordinate geometry to five equivalent Na1+ and four equivalent Fe2+ atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-22152
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; NaFeAs; As-Fe-Na
OSTI Identifier:
1197381
DOI:
10.17188/1197381

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on NaFeAs by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1197381.
Persson, Kristin, & Project, Materials. Materials Data on NaFeAs by Materials Project. United States. doi:10.17188/1197381.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on NaFeAs by Materials Project". United States. doi:10.17188/1197381. https://www.osti.gov/servlets/purl/1197381. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1197381,
title = {Materials Data on NaFeAs by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {NaFeAs is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Na1+ is bonded in a 5-coordinate geometry to five equivalent As3- atoms. There are four shorter (2.99 Å) and one longer (3.22 Å) Na–As bond lengths. Fe2+ is bonded to four equivalent As3- atoms to form a mixture of edge and corner-sharing FeAs4 tetrahedra. All Fe–As bond lengths are 2.35 Å. As3- is bonded in a 9-coordinate geometry to five equivalent Na1+ and four equivalent Fe2+ atoms.},
doi = {10.17188/1197381},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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