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Title: Materials Data on NaFe(SO)2 by Materials Project

Abstract

NaFe(SO)2 crystallizes in the monoclinic C2/c space group. The structure is two-dimensional and consists of two NaFe(SO)2 sheets oriented in the (0, 1, 0) direction. Na1+ is bonded in a see-saw-like geometry to four equivalent O2- atoms. There are two shorter (2.34 Å) and two longer (2.36 Å) Na–O bond lengths. Fe3+ is bonded in a distorted rectangular see-saw-like geometry to four equivalent S atoms. There are two shorter (2.33 Å) and two longer (2.36 Å) Fe–S bond lengths. S is bonded in a distorted trigonal non-coplanar geometry to two equivalent Fe3+ and one O2- atom. The S–O bond length is 1.56 Å. O2- is bonded in a distorted trigonal planar geometry to two equivalent Na1+ and one S atom.

Publication Date:
Other Number(s):
mp-1179885
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; NaFe(SO)2; Fe-Na-O-S
OSTI Identifier:
1753721
DOI:
https://doi.org/10.17188/1753721

Citation Formats

The Materials Project. Materials Data on NaFe(SO)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1753721.
The Materials Project. Materials Data on NaFe(SO)2 by Materials Project. United States. doi:https://doi.org/10.17188/1753721
The Materials Project. 2020. "Materials Data on NaFe(SO)2 by Materials Project". United States. doi:https://doi.org/10.17188/1753721. https://www.osti.gov/servlets/purl/1753721. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1753721,
title = {Materials Data on NaFe(SO)2 by Materials Project},
author = {The Materials Project},
abstractNote = {NaFe(SO)2 crystallizes in the monoclinic C2/c space group. The structure is two-dimensional and consists of two NaFe(SO)2 sheets oriented in the (0, 1, 0) direction. Na1+ is bonded in a see-saw-like geometry to four equivalent O2- atoms. There are two shorter (2.34 Å) and two longer (2.36 Å) Na–O bond lengths. Fe3+ is bonded in a distorted rectangular see-saw-like geometry to four equivalent S atoms. There are two shorter (2.33 Å) and two longer (2.36 Å) Fe–S bond lengths. S is bonded in a distorted trigonal non-coplanar geometry to two equivalent Fe3+ and one O2- atom. The S–O bond length is 1.56 Å. O2- is bonded in a distorted trigonal planar geometry to two equivalent Na1+ and one S atom.},
doi = {10.17188/1753721},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}