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Title: Materials Data on V4ZnS8 by Materials Project

Abstract

V4ZnS8 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent V+3.50+ sites. In the first V+3.50+ site, V+3.50+ is bonded to six equivalent S2- atoms to form VS6 octahedra that share corners with six equivalent ZnS6 octahedra and edges with six equivalent VS6 octahedra. The corner-sharing octahedral tilt angles are 2°. All V–S bond lengths are 2.42 Å. In the second V+3.50+ site, V+3.50+ is bonded to six S2- atoms to form VS6 octahedra that share edges with two equivalent ZnS6 octahedra and edges with six VS6 octahedra. All V–S bond lengths are 2.41 Å. Zn2+ is bonded to six equivalent S2- atoms to form ZnS6 octahedra that share corners with six equivalent VS6 octahedra and edges with six equivalent VS6 octahedra. The corner-sharing octahedral tilt angles are 2°. All Zn–S bond lengths are 2.48 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a rectangular see-saw-like geometry to three V+3.50+ and one Zn2+ atom. In the second S2- site, S2- is bonded in a distorted T-shaped geometry to three equivalent V+3.50+ atoms.

Authors:
Publication Date:
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)
Contributing Org.:
MIT; UC Berkeley; Duke; U Louvain
OSTI Identifier:
1318160
Report Number(s):
mvc-11275
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Resource Type:
Data
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; crystal structure; V4ZnS8; S-V-Zn

Citation Formats

The Materials Project. Materials Data on V4ZnS8 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1318160.
The Materials Project. Materials Data on V4ZnS8 by Materials Project. United States. https://doi.org/10.17188/1318160
The Materials Project. 2020. "Materials Data on V4ZnS8 by Materials Project". United States. https://doi.org/10.17188/1318160. https://www.osti.gov/servlets/purl/1318160.
@article{osti_1318160,
title = {Materials Data on V4ZnS8 by Materials Project},
author = {The Materials Project},
abstractNote = {V4ZnS8 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent V+3.50+ sites. In the first V+3.50+ site, V+3.50+ is bonded to six equivalent S2- atoms to form VS6 octahedra that share corners with six equivalent ZnS6 octahedra and edges with six equivalent VS6 octahedra. The corner-sharing octahedral tilt angles are 2°. All V–S bond lengths are 2.42 Å. In the second V+3.50+ site, V+3.50+ is bonded to six S2- atoms to form VS6 octahedra that share edges with two equivalent ZnS6 octahedra and edges with six VS6 octahedra. All V–S bond lengths are 2.41 Å. Zn2+ is bonded to six equivalent S2- atoms to form ZnS6 octahedra that share corners with six equivalent VS6 octahedra and edges with six equivalent VS6 octahedra. The corner-sharing octahedral tilt angles are 2°. All Zn–S bond lengths are 2.48 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a rectangular see-saw-like geometry to three V+3.50+ and one Zn2+ atom. In the second S2- site, S2- is bonded in a distorted T-shaped geometry to three equivalent V+3.50+ atoms.},
doi = {10.17188/1318160},
url = {https://www.osti.gov/biblio/1318160}, journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Jul 22 00:00:00 EDT 2020},
month = {Wed Jul 22 00:00:00 EDT 2020}
}