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Title: Materials Data on TaAgS3 by Materials Project

Abstract

AgTaS3 crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. Ta5+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Ta–S bond distances ranging from 2.54–2.65 Å. Ag1+ is bonded in a 2-coordinate geometry to six S2- atoms. There are a spread of Ag–S bond distances ranging from 2.45–3.12 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 3-coordinate geometry to three equivalent Ta5+ and two equivalent Ag1+ atoms. In the second S2- site, S2- is bonded in a 3-coordinate geometry to three equivalent Ta5+ and two equivalent Ag1+ atoms. In the third S2- site, S2- is bonded to two equivalent Ta5+ and two equivalent Ag1+ atoms to form corner-sharing STa2Ag2 tetrahedra.

Authors:
Publication Date:
Other Number(s):
mp-561242
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; TaAgS3; Ag-S-Ta
OSTI Identifier:
1271931
DOI:
https://doi.org/10.17188/1271931

Citation Formats

The Materials Project. Materials Data on TaAgS3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1271931.
The Materials Project. Materials Data on TaAgS3 by Materials Project. United States. doi:https://doi.org/10.17188/1271931
The Materials Project. 2020. "Materials Data on TaAgS3 by Materials Project". United States. doi:https://doi.org/10.17188/1271931. https://www.osti.gov/servlets/purl/1271931. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1271931,
title = {Materials Data on TaAgS3 by Materials Project},
author = {The Materials Project},
abstractNote = {AgTaS3 crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. Ta5+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Ta–S bond distances ranging from 2.54–2.65 Å. Ag1+ is bonded in a 2-coordinate geometry to six S2- atoms. There are a spread of Ag–S bond distances ranging from 2.45–3.12 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 3-coordinate geometry to three equivalent Ta5+ and two equivalent Ag1+ atoms. In the second S2- site, S2- is bonded in a 3-coordinate geometry to three equivalent Ta5+ and two equivalent Ag1+ atoms. In the third S2- site, S2- is bonded to two equivalent Ta5+ and two equivalent Ag1+ atoms to form corner-sharing STa2Ag2 tetrahedra.},
doi = {10.17188/1271931},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Jul 16 00:00:00 EDT 2020},
month = {Thu Jul 16 00:00:00 EDT 2020}
}