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Title: Materials Data on V3S by Materials Project

Abstract

V3S crystallizes in the tetragonal P4_2/nbc space group. The structure is three-dimensional. there are three inequivalent V sites. In the first V site, V is bonded in a distorted bent 150 degrees geometry to two equivalent S atoms. Both V–S bond lengths are 2.36 Å. In the second V site, V is bonded in a distorted bent 150 degrees geometry to two equivalent S atoms. Both V–S bond lengths are 2.36 Å. In the third V site, V is bonded to four equivalent S atoms to form a mixture of distorted edge and corner-sharing VS4 tetrahedra. All V–S bond lengths are 2.39 Å. S is bonded in a 8-coordinate geometry to eight V atoms.

Publication Date:
Other Number(s):
mp-555283
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; V3S; S-V
OSTI Identifier:
1268729
DOI:
10.17188/1268729

Citation Formats

The Materials Project. Materials Data on V3S by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1268729.
The Materials Project. Materials Data on V3S by Materials Project. United States. doi:10.17188/1268729.
The Materials Project. 2020. "Materials Data on V3S by Materials Project". United States. doi:10.17188/1268729. https://www.osti.gov/servlets/purl/1268729. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1268729,
title = {Materials Data on V3S by Materials Project},
author = {The Materials Project},
abstractNote = {V3S crystallizes in the tetragonal P4_2/nbc space group. The structure is three-dimensional. there are three inequivalent V sites. In the first V site, V is bonded in a distorted bent 150 degrees geometry to two equivalent S atoms. Both V–S bond lengths are 2.36 Å. In the second V site, V is bonded in a distorted bent 150 degrees geometry to two equivalent S atoms. Both V–S bond lengths are 2.36 Å. In the third V site, V is bonded to four equivalent S atoms to form a mixture of distorted edge and corner-sharing VS4 tetrahedra. All V–S bond lengths are 2.39 Å. S is bonded in a 8-coordinate geometry to eight V atoms.},
doi = {10.17188/1268729},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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