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Title: Materials Data on V3Ag2TeS6 by Materials Project

Abstract

V3Ag2TeS6 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. V4+ is bonded to six S2- atoms to form distorted VS6 pentagonal pyramids that share corners with two equivalent TeAg6S2 hexagonal bipyramids and edges with six equivalent VS6 pentagonal pyramids. All V–S bond lengths are 2.35 Å. Ag1+ is bonded in a distorted linear geometry to three equivalent Te2- and two equivalent S2- atoms. All Ag–Te bond lengths are 3.20 Å. Both Ag–S bond lengths are 2.57 Å. Te2- is bonded to six equivalent Ag1+ and two equivalent S2- atoms to form distorted TeAg6S2 hexagonal bipyramids that share corners with six equivalent VS6 pentagonal pyramids and edges with six equivalent TeAg6S2 hexagonal bipyramids. Both Te–S bond lengths are 2.66 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to three equivalent V4+ and one Ag1+ atom. In the second S2- site, S2- is bonded in a rectangular see-saw-like geometry to three equivalent V4+ and one Te2- atom.

Authors:
Publication Date:
Other Number(s):
mp-1102112
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; V3Ag2TeS6; Ag-S-Te-V
OSTI Identifier:
1689019
DOI:
https://doi.org/10.17188/1689019

Citation Formats

The Materials Project. Materials Data on V3Ag2TeS6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1689019.
The Materials Project. Materials Data on V3Ag2TeS6 by Materials Project. United States. doi:https://doi.org/10.17188/1689019
The Materials Project. 2020. "Materials Data on V3Ag2TeS6 by Materials Project". United States. doi:https://doi.org/10.17188/1689019. https://www.osti.gov/servlets/purl/1689019. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1689019,
title = {Materials Data on V3Ag2TeS6 by Materials Project},
author = {The Materials Project},
abstractNote = {V3Ag2TeS6 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. V4+ is bonded to six S2- atoms to form distorted VS6 pentagonal pyramids that share corners with two equivalent TeAg6S2 hexagonal bipyramids and edges with six equivalent VS6 pentagonal pyramids. All V–S bond lengths are 2.35 Å. Ag1+ is bonded in a distorted linear geometry to three equivalent Te2- and two equivalent S2- atoms. All Ag–Te bond lengths are 3.20 Å. Both Ag–S bond lengths are 2.57 Å. Te2- is bonded to six equivalent Ag1+ and two equivalent S2- atoms to form distorted TeAg6S2 hexagonal bipyramids that share corners with six equivalent VS6 pentagonal pyramids and edges with six equivalent TeAg6S2 hexagonal bipyramids. Both Te–S bond lengths are 2.66 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to three equivalent V4+ and one Ag1+ atom. In the second S2- site, S2- is bonded in a rectangular see-saw-like geometry to three equivalent V4+ and one Te2- atom.},
doi = {10.17188/1689019},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}