U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on FeSe2NO8 by Materials Project
Abstract
(Fe(SeO4)2)2N2 crystallizes in the trigonal P321 space group. The structure is two-dimensional and consists of one ammonia molecule and one Fe(SeO4)2 sheet oriented in the (0, 0, 1) direction. In the Fe(SeO4)2 sheet, Fe3+ is bonded to six equivalent O2- atoms to form distorted FeO6 pentagonal pyramids that share corners with six equivalent SeO4 tetrahedra. All Fe–O bond lengths are 2.03 Å. Se4+ is bonded to four O2- atoms to form SeO4 tetrahedra that share corners with three equivalent FeO6 pentagonal pyramids. There is one shorter (1.65 Å) and three longer (1.68 Å) Se–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Se4+ atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to one Fe3+ and one Se4+ atom.
- Publication Date:
- Other Number(s):
- mp-1212677
- 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; Fe-N-O-Se; FeSe2NO8; crystal structure
- OSTI Identifier:
- 1676569
- DOI:
- https://doi.org/10.17188/1676569
Citation Formats
Materials Data on FeSe2NO8 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1676569.
Materials Data on FeSe2NO8 by Materials Project. United States. doi:https://doi.org/10.17188/1676569
2019.
"Materials Data on FeSe2NO8 by Materials Project". United States. doi:https://doi.org/10.17188/1676569. https://www.osti.gov/servlets/purl/1676569. Pub date:Fri Jan 11 23:00:00 EST 2019
@article{osti_1676569,
title = {Materials Data on FeSe2NO8 by Materials Project},
abstractNote = {(Fe(SeO4)2)2N2 crystallizes in the trigonal P321 space group. The structure is two-dimensional and consists of one ammonia molecule and one Fe(SeO4)2 sheet oriented in the (0, 0, 1) direction. In the Fe(SeO4)2 sheet, Fe3+ is bonded to six equivalent O2- atoms to form distorted FeO6 pentagonal pyramids that share corners with six equivalent SeO4 tetrahedra. All Fe–O bond lengths are 2.03 Å. Se4+ is bonded to four O2- atoms to form SeO4 tetrahedra that share corners with three equivalent FeO6 pentagonal pyramids. There is one shorter (1.65 Å) and three longer (1.68 Å) Se–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Se4+ atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to one Fe3+ and one Se4+ atom.},
doi = {10.17188/1676569},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}