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Title: Materials Data on NaV2(SO)4 by Materials Project

Abstract

NaO2(VS2O)2 crystallizes in the monoclinic P2/m space group. The structure is two-dimensional and consists of one sodium hydroxide monohydrate molecule and one VS2O sheet oriented in the (0, 0, 1) direction. In the VS2O sheet, there are two inequivalent V+3.50+ sites. In the first V+3.50+ site, V+3.50+ is bonded to six S atoms to form edge-sharing VS6 octahedra. There are two shorter (2.35 Å) and four longer (2.43 Å) V–S bond lengths. In the second V+3.50+ site, V+3.50+ is bonded to six S atoms to form edge-sharing VS6 octahedra. There are two shorter (2.41 Å) and four longer (2.50 Å) V–S bond lengths. There are two inequivalent S sites. In the first S site, S is bonded in a distorted single-bond geometry to three V+3.50+ and one O2- atom. The S–O bond length is 1.58 Å. In the second S site, S is bonded in a 1-coordinate geometry to three V+3.50+ atoms. O2- is bonded in a single-bond geometry to one S atom.

Publication Date:
Other Number(s):
mp-1221103
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; NaV2(SO)4; Na-O-S-V
OSTI Identifier:
1724988
DOI:
https://doi.org/10.17188/1724988

Citation Formats

The Materials Project. Materials Data on NaV2(SO)4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1724988.
The Materials Project. Materials Data on NaV2(SO)4 by Materials Project. United States. doi:https://doi.org/10.17188/1724988
The Materials Project. 2020. "Materials Data on NaV2(SO)4 by Materials Project". United States. doi:https://doi.org/10.17188/1724988. https://www.osti.gov/servlets/purl/1724988. Pub date:Tue May 05 00:00:00 EDT 2020
@article{osti_1724988,
title = {Materials Data on NaV2(SO)4 by Materials Project},
author = {The Materials Project},
abstractNote = {NaO2(VS2O)2 crystallizes in the monoclinic P2/m space group. The structure is two-dimensional and consists of one sodium hydroxide monohydrate molecule and one VS2O sheet oriented in the (0, 0, 1) direction. In the VS2O sheet, there are two inequivalent V+3.50+ sites. In the first V+3.50+ site, V+3.50+ is bonded to six S atoms to form edge-sharing VS6 octahedra. There are two shorter (2.35 Å) and four longer (2.43 Å) V–S bond lengths. In the second V+3.50+ site, V+3.50+ is bonded to six S atoms to form edge-sharing VS6 octahedra. There are two shorter (2.41 Å) and four longer (2.50 Å) V–S bond lengths. There are two inequivalent S sites. In the first S site, S is bonded in a distorted single-bond geometry to three V+3.50+ and one O2- atom. The S–O bond length is 1.58 Å. In the second S site, S is bonded in a 1-coordinate geometry to three V+3.50+ atoms. O2- is bonded in a single-bond geometry to one S atom.},
doi = {10.17188/1724988},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}