U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Na2Fe2C4SO16 by Materials Project
Abstract
Na2Fe2C4SO16 crystallizes in the orthorhombic Fddd space group. The structure is three-dimensional. Na is bonded in a distorted hexagonal planar geometry to six O atoms. There are a spread of Na–O bond distances ranging from 2.43–2.49 Å. Fe is bonded in an octahedral geometry to six O atoms. There are a spread of Fe–O bond distances ranging from 2.00–2.08 Å. C is bonded in a trigonal planar geometry to three O atoms. There is two shorter (1.29 Å) and one longer (1.30 Å) C–O bond length. S is bonded in a tetrahedral geometry to four equivalent O atoms. All S–O bond lengths are 1.49 Å. There are four inequivalent O sites. In the first O site, O is bonded in a 3-coordinate geometry to one Na, one Fe, and one C atom. In the second O site, O is bonded in a distorted bent 120 degrees geometry to one Fe and one C atom. In the third O site, O is bonded in a 3-coordinate geometry to one Na, one Fe, and one C atom. In the fourth O site, O is bonded in an L-shaped geometry to one Na and one S atom.
- Publication Date:
- Other Number(s):
- mp-771992
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; C-Fe-Na-O-S; Na2Fe2C4SO16; crystal structure
- OSTI Identifier:
- 1300985
- DOI:
- https://doi.org/10.17188/1300985
Citation Formats
Materials Data on Na2Fe2C4SO16 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1300985.
Materials Data on Na2Fe2C4SO16 by Materials Project. United States. doi:https://doi.org/10.17188/1300985
2020.
"Materials Data on Na2Fe2C4SO16 by Materials Project". United States. doi:https://doi.org/10.17188/1300985. https://www.osti.gov/servlets/purl/1300985. Pub date:Fri Jun 05 04:00:00 UTC 2020
@article{osti_1300985,
title = {Materials Data on Na2Fe2C4SO16 by Materials Project},
abstractNote = {Na2Fe2C4SO16 crystallizes in the orthorhombic Fddd space group. The structure is three-dimensional. Na is bonded in a distorted hexagonal planar geometry to six O atoms. There are a spread of Na–O bond distances ranging from 2.43–2.49 Å. Fe is bonded in an octahedral geometry to six O atoms. There are a spread of Fe–O bond distances ranging from 2.00–2.08 Å. C is bonded in a trigonal planar geometry to three O atoms. There is two shorter (1.29 Å) and one longer (1.30 Å) C–O bond length. S is bonded in a tetrahedral geometry to four equivalent O atoms. All S–O bond lengths are 1.49 Å. There are four inequivalent O sites. In the first O site, O is bonded in a 3-coordinate geometry to one Na, one Fe, and one C atom. In the second O site, O is bonded in a distorted bent 120 degrees geometry to one Fe and one C atom. In the third O site, O is bonded in a 3-coordinate geometry to one Na, one Fe, and one C atom. In the fourth O site, O is bonded in an L-shaped geometry to one Na and one S atom.},
doi = {10.17188/1300985},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {6}
}