U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Se2NO6 by Materials Project
Abstract
NSe2O6 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is one-dimensional and consists of four NSe2O6 ribbons oriented in the (1, 0, 0) direction. N is bonded in a water-like geometry to two O atoms. There is one shorter (1.13 Å) and one longer (1.85 Å) N–O bond length. There are two inequivalent Se sites. In the first Se site, Se is bonded in a 4-coordinate geometry to four O atoms. There are a spread of Se–O bond distances ranging from 1.66–2.40 Å. In the second Se site, Se is bonded in a trigonal non-coplanar geometry to three O atoms. There are a spread of Se–O bond distances ranging from 1.64–1.96 Å. There are six inequivalent O sites. In the first O site, O is bonded in a distorted bent 120 degrees geometry to two Se atoms. In the second O site, O is bonded in a single-bond geometry to one N atom. In the third O site, O is bonded in a single-bond geometry to one Se atom. In the fourth O site, O is bonded in a distorted bent 150 degrees geometry to one N and one Se atom. In the fifth O site, O is bondedmore »
- Publication Date:
- Other Number(s):
- mp-1179279
- 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; N-O-Se; Se2NO6; crystal structure
- OSTI Identifier:
- 1738296
- DOI:
- https://doi.org/10.17188/1738296
Citation Formats
Materials Data on Se2NO6 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1738296.
Materials Data on Se2NO6 by Materials Project. United States. doi:https://doi.org/10.17188/1738296
2020.
"Materials Data on Se2NO6 by Materials Project". United States. doi:https://doi.org/10.17188/1738296. https://www.osti.gov/servlets/purl/1738296. Pub date:Sun May 03 04:00:00 UTC 2020
@article{osti_1738296,
title = {Materials Data on Se2NO6 by Materials Project},
abstractNote = {NSe2O6 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is one-dimensional and consists of four NSe2O6 ribbons oriented in the (1, 0, 0) direction. N is bonded in a water-like geometry to two O atoms. There is one shorter (1.13 Å) and one longer (1.85 Å) N–O bond length. There are two inequivalent Se sites. In the first Se site, Se is bonded in a 4-coordinate geometry to four O atoms. There are a spread of Se–O bond distances ranging from 1.66–2.40 Å. In the second Se site, Se is bonded in a trigonal non-coplanar geometry to three O atoms. There are a spread of Se–O bond distances ranging from 1.64–1.96 Å. There are six inequivalent O sites. In the first O site, O is bonded in a distorted bent 120 degrees geometry to two Se atoms. In the second O site, O is bonded in a single-bond geometry to one N atom. In the third O site, O is bonded in a single-bond geometry to one Se atom. In the fourth O site, O is bonded in a distorted bent 150 degrees geometry to one N and one Se atom. In the fifth O site, O is bonded in a single-bond geometry to one Se atom. In the sixth O site, O is bonded in a bent 120 degrees geometry to two Se atoms.},
doi = {10.17188/1738296},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}