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Title: Materials Data on VS2NO9 by Materials Project

Abstract

(VS2O9)2N2 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is two-dimensional and consists of four ammonia molecules and two VS2O9 sheets oriented in the (0, 0, 1) direction. In each VS2O9 sheet, V5+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of V–O bond distances ranging from 1.59–2.46 Å. There are two inequivalent S6+ sites. In the first S6+ site, S6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of S–O bond distances ranging from 1.45–1.52 Å. In the second S6+ site, S6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of S–O bond distances ranging from 1.44–1.54 Å. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one V5+ and one S6+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one V5+ and one S6+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one S6+ atom. In the fourth O2- site, O2- is bonded in a bent 150 degrees geometry to one V5+ and onemore » S6+ atom. In the fifth O2- site, O2- is bonded in a single-bond geometry to one S6+ atom. In the sixth O2- site, O2- is bonded in a single-bond geometry to one V5+ atom. In the seventh O2- site, O2- is bonded in a bent 150 degrees geometry to one V5+ and one S6+ atom. In the eighth O2- site, O2- is bonded in a single-bond geometry to one S6+ atom. In the ninth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one V5+ and one S6+ atom.« less

Publication Date:
Other Number(s):
mp-1196448
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; VS2NO9; N-O-S-V
OSTI Identifier:
1749510
DOI:
https://doi.org/10.17188/1749510

Citation Formats

The Materials Project. Materials Data on VS2NO9 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1749510.
The Materials Project. Materials Data on VS2NO9 by Materials Project. United States. doi:https://doi.org/10.17188/1749510
The Materials Project. 2020. "Materials Data on VS2NO9 by Materials Project". United States. doi:https://doi.org/10.17188/1749510. https://www.osti.gov/servlets/purl/1749510. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1749510,
title = {Materials Data on VS2NO9 by Materials Project},
author = {The Materials Project},
abstractNote = {(VS2O9)2N2 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is two-dimensional and consists of four ammonia molecules and two VS2O9 sheets oriented in the (0, 0, 1) direction. In each VS2O9 sheet, V5+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of V–O bond distances ranging from 1.59–2.46 Å. There are two inequivalent S6+ sites. In the first S6+ site, S6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of S–O bond distances ranging from 1.45–1.52 Å. In the second S6+ site, S6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of S–O bond distances ranging from 1.44–1.54 Å. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one V5+ and one S6+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one V5+ and one S6+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one S6+ atom. In the fourth O2- site, O2- is bonded in a bent 150 degrees geometry to one V5+ and one S6+ atom. In the fifth O2- site, O2- is bonded in a single-bond geometry to one S6+ atom. In the sixth O2- site, O2- is bonded in a single-bond geometry to one V5+ atom. In the seventh O2- site, O2- is bonded in a bent 150 degrees geometry to one V5+ and one S6+ atom. In the eighth O2- site, O2- is bonded in a single-bond geometry to one S6+ atom. In the ninth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one V5+ and one S6+ atom.},
doi = {10.17188/1749510},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}