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Title: Materials Data on NaFeAs by Materials Project

Abstract

NaFeAs crystallizes in the orthorhombic Cmcm space group. The structure is two-dimensional and consists of two NaFeAs sheets oriented in the (0, 1, 0) direction. Na1+ is bonded in a distorted see-saw-like geometry to four equivalent As3- atoms. All Na–As bond lengths are 2.97 Å. Fe2+ is bonded to four equivalent As3- atoms to form a mixture of edge and corner-sharing FeAs4 tetrahedra. There are two shorter (2.32 Å) and two longer (2.36 Å) Fe–As bond lengths. As3- is bonded in a 8-coordinate geometry to four equivalent Na1+ and four equivalent Fe2+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-1077240
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; NaFeAs; As-Fe-Na
OSTI Identifier:
1748608
DOI:
https://doi.org/10.17188/1748608

Citation Formats

The Materials Project. Materials Data on NaFeAs by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1748608.
The Materials Project. Materials Data on NaFeAs by Materials Project. United States. doi:https://doi.org/10.17188/1748608
The Materials Project. 2020. "Materials Data on NaFeAs by Materials Project". United States. doi:https://doi.org/10.17188/1748608. https://www.osti.gov/servlets/purl/1748608. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1748608,
title = {Materials Data on NaFeAs by Materials Project},
author = {The Materials Project},
abstractNote = {NaFeAs crystallizes in the orthorhombic Cmcm space group. The structure is two-dimensional and consists of two NaFeAs sheets oriented in the (0, 1, 0) direction. Na1+ is bonded in a distorted see-saw-like geometry to four equivalent As3- atoms. All Na–As bond lengths are 2.97 Å. Fe2+ is bonded to four equivalent As3- atoms to form a mixture of edge and corner-sharing FeAs4 tetrahedra. There are two shorter (2.32 Å) and two longer (2.36 Å) Fe–As bond lengths. As3- is bonded in a 8-coordinate geometry to four equivalent Na1+ and four equivalent Fe2+ atoms.},
doi = {10.17188/1748608},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}