U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Se3(NO6)2 by Materials Project
Abstract
(NO)2Se3O10 crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of eight nitroxyl molecules and four Se3O10 clusters. In each Se3O10 cluster, there are two inequivalent Se+4.67+ sites. In the first Se+4.67+ site, Se+4.67+ is bonded to four O2- atoms to form corner-sharing SeO4 tetrahedra. There is two shorter (1.62 Å) and two longer (1.79 Å) Se–O bond length. In the second Se+4.67+ site, Se+4.67+ is bonded to four O2- atoms to form corner-sharing SeO4 tetrahedra. There are a spread of Se–O bond distances ranging from 1.64–1.90 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Se+4.67+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one Se+4.67+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one Se+4.67+ atom. In the fourth O2- site, O2- is bonded in a bent 120 degrees geometry to two Se+4.67+ atoms. In the fifth O2- site, O2- is bonded in a single-bond geometry to one Se+4.67+ atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1201046
- 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; Se3(NO6)2; N-O-Se
- OSTI Identifier:
- 1694877
- DOI:
- https://doi.org/10.17188/1694877
Citation Formats
The Materials Project. Materials Data on Se3(NO6)2 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1694877.
The Materials Project. Materials Data on Se3(NO6)2 by Materials Project. United States. doi:https://doi.org/10.17188/1694877
The Materials Project. 2019.
"Materials Data on Se3(NO6)2 by Materials Project". United States. doi:https://doi.org/10.17188/1694877. https://www.osti.gov/servlets/purl/1694877. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1694877,
title = {Materials Data on Se3(NO6)2 by Materials Project},
author = {The Materials Project},
abstractNote = {(NO)2Se3O10 crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of eight nitroxyl molecules and four Se3O10 clusters. In each Se3O10 cluster, there are two inequivalent Se+4.67+ sites. In the first Se+4.67+ site, Se+4.67+ is bonded to four O2- atoms to form corner-sharing SeO4 tetrahedra. There is two shorter (1.62 Å) and two longer (1.79 Å) Se–O bond length. In the second Se+4.67+ site, Se+4.67+ is bonded to four O2- atoms to form corner-sharing SeO4 tetrahedra. There are a spread of Se–O bond distances ranging from 1.64–1.90 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Se+4.67+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one Se+4.67+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one Se+4.67+ atom. In the fourth O2- site, O2- is bonded in a bent 120 degrees geometry to two Se+4.67+ atoms. In the fifth O2- site, O2- is bonded in a single-bond geometry to one Se+4.67+ atom.},
doi = {10.17188/1694877},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}