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Title: Materials Data on V2ZnS4 by Materials Project

Abstract

V2ZnS4 is Spinel structured and crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. V3+ is bonded to six equivalent S2- atoms to form VS6 octahedra that share corners with six equivalent ZnS4 tetrahedra and edges with six equivalent VS6 octahedra. There are four shorter (2.43 Å) and two longer (2.44 Å) V–S bond lengths. Zn2+ is bonded to four equivalent S2- atoms to form ZnS4 tetrahedra that share corners with twelve equivalent VS6 octahedra. The corner-sharing octahedra tilt angles range from 55–59°. All Zn–S bond lengths are 2.33 Å. S2- is bonded in a rectangular see-saw-like geometry to three equivalent V3+ and one Zn2+ atom.

Publication Date:
Other Number(s):
mvc-14446
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; V2ZnS4; S-V-Zn
OSTI Identifier:
1319139
DOI:
https://doi.org/10.17188/1319139

Citation Formats

The Materials Project. Materials Data on V2ZnS4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1319139.
The Materials Project. Materials Data on V2ZnS4 by Materials Project. United States. doi:https://doi.org/10.17188/1319139
The Materials Project. 2020. "Materials Data on V2ZnS4 by Materials Project". United States. doi:https://doi.org/10.17188/1319139. https://www.osti.gov/servlets/purl/1319139. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1319139,
title = {Materials Data on V2ZnS4 by Materials Project},
author = {The Materials Project},
abstractNote = {V2ZnS4 is Spinel structured and crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. V3+ is bonded to six equivalent S2- atoms to form VS6 octahedra that share corners with six equivalent ZnS4 tetrahedra and edges with six equivalent VS6 octahedra. There are four shorter (2.43 Å) and two longer (2.44 Å) V–S bond lengths. Zn2+ is bonded to four equivalent S2- atoms to form ZnS4 tetrahedra that share corners with twelve equivalent VS6 octahedra. The corner-sharing octahedra tilt angles range from 55–59°. All Zn–S bond lengths are 2.33 Å. S2- is bonded in a rectangular see-saw-like geometry to three equivalent V3+ and one Zn2+ atom.},
doi = {10.17188/1319139},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}