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Title: Materials Data on V7S8 by Materials Project

Abstract

V7S8 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. there are three inequivalent V+2.29+ sites. In the first V+2.29+ site, V+2.29+ is bonded to six equivalent S2- atoms to form a mixture of corner and edge-sharing VS6 octahedra. The corner-sharing octahedral tilt angles are 45°. All V–S bond lengths are 2.37 Å. In the second V+2.29+ site, V+2.29+ is bonded to six S2- atoms to form a mixture of corner, edge, and face-sharing VS6 octahedra. The corner-sharing octahedra tilt angles range from 45–47°. There are four shorter (2.38 Å) and two longer (2.39 Å) V–S bond lengths. In the third V+2.29+ site, V+2.29+ is bonded to six S2- atoms to form a mixture of corner, edge, and face-sharing VS6 octahedra. The corner-sharing octahedra tilt angles range from 45–47°. There are two shorter (2.38 Å) and four longer (2.41 Å) V–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 5-coordinate geometry to five V+2.29+ atoms. In the second S2- site, S2- is bonded to six V+2.29+ atoms to form distorted corner-sharing SV6 pentagonal pyramids.

Authors:
Publication Date:
Other Number(s):
mp-1207843
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; V7S8; S-V
OSTI Identifier:
1738743
DOI:
https://doi.org/10.17188/1738743

Citation Formats

The Materials Project. Materials Data on V7S8 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1738743.
The Materials Project. Materials Data on V7S8 by Materials Project. United States. doi:https://doi.org/10.17188/1738743
The Materials Project. 2020. "Materials Data on V7S8 by Materials Project". United States. doi:https://doi.org/10.17188/1738743. https://www.osti.gov/servlets/purl/1738743. Pub date:Thu Jun 04 00:00:00 EDT 2020
@article{osti_1738743,
title = {Materials Data on V7S8 by Materials Project},
author = {The Materials Project},
abstractNote = {V7S8 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. there are three inequivalent V+2.29+ sites. In the first V+2.29+ site, V+2.29+ is bonded to six equivalent S2- atoms to form a mixture of corner and edge-sharing VS6 octahedra. The corner-sharing octahedral tilt angles are 45°. All V–S bond lengths are 2.37 Å. In the second V+2.29+ site, V+2.29+ is bonded to six S2- atoms to form a mixture of corner, edge, and face-sharing VS6 octahedra. The corner-sharing octahedra tilt angles range from 45–47°. There are four shorter (2.38 Å) and two longer (2.39 Å) V–S bond lengths. In the third V+2.29+ site, V+2.29+ is bonded to six S2- atoms to form a mixture of corner, edge, and face-sharing VS6 octahedra. The corner-sharing octahedra tilt angles range from 45–47°. There are two shorter (2.38 Å) and four longer (2.41 Å) V–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 5-coordinate geometry to five V+2.29+ atoms. In the second S2- site, S2- is bonded to six V+2.29+ atoms to form distorted corner-sharing SV6 pentagonal pyramids.},
doi = {10.17188/1738743},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {6}
}