U.S. Department of EnergyOffice of Scientific and Technical Information
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.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1179885
- 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; 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}
}
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