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Title: 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 » 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.« less

Authors:
Publication Date:
Other Number(s):
mp-1179279
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; Se2NO6; N-O-Se
OSTI Identifier:
1738296
DOI:
https://doi.org/10.17188/1738296

Citation Formats

The Materials Project. Materials Data on Se2NO6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1738296.
The Materials Project. Materials Data on Se2NO6 by Materials Project. United States. doi:https://doi.org/10.17188/1738296
The Materials Project. 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 00:00:00 EDT 2020
@article{osti_1738296,
title = {Materials Data on Se2NO6 by Materials Project},
author = {The 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}
}