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Title: Materials Data on Cs2TaAgS4 by Materials Project

Abstract

Cs2TaAgS4 crystallizes in the orthorhombic Fddd space group. The structure is three-dimensional. Cs1+ is bonded to eight equivalent S2- atoms to form distorted CsS8 hexagonal bipyramids that share corners with four equivalent CsS8 hexagonal bipyramids, corners with two equivalent TaS4 tetrahedra, corners with four equivalent AgS4 tetrahedra, edges with six equivalent CsS8 hexagonal bipyramids, edges with two equivalent AgS4 tetrahedra, edges with three equivalent TaS4 tetrahedra, and faces with two equivalent CsS8 hexagonal bipyramids. There are a spread of Cs–S bond distances ranging from 3.64–3.99 Å. Ta5+ is bonded to four equivalent S2- atoms to form TaS4 tetrahedra that share corners with four equivalent CsS8 hexagonal bipyramids, edges with six equivalent CsS8 hexagonal bipyramids, and edges with two equivalent AgS4 tetrahedra. All Ta–S bond lengths are 2.30 Å. Ag1+ is bonded to four equivalent S2- atoms to form AgS4 tetrahedra that share corners with eight equivalent CsS8 hexagonal bipyramids, edges with four equivalent CsS8 hexagonal bipyramids, and edges with two equivalent TaS4 tetrahedra. All Ag–S bond lengths are 2.58 Å. S2- is bonded in a 1-coordinate geometry to four equivalent Cs1+, one Ta5+, and one Ag1+ atom.

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:
1191061
Report Number(s):
mp-15218
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; Cs2TaAgS4; Ag-Cs-S-Ta

Citation Formats

The Materials Project. Materials Data on Cs2TaAgS4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1191061.
The Materials Project. Materials Data on Cs2TaAgS4 by Materials Project. United States. https://doi.org/10.17188/1191061
The Materials Project. 2020. "Materials Data on Cs2TaAgS4 by Materials Project". United States. https://doi.org/10.17188/1191061. https://www.osti.gov/servlets/purl/1191061.
@article{osti_1191061,
title = {Materials Data on Cs2TaAgS4 by Materials Project},
author = {The Materials Project},
abstractNote = {Cs2TaAgS4 crystallizes in the orthorhombic Fddd space group. The structure is three-dimensional. Cs1+ is bonded to eight equivalent S2- atoms to form distorted CsS8 hexagonal bipyramids that share corners with four equivalent CsS8 hexagonal bipyramids, corners with two equivalent TaS4 tetrahedra, corners with four equivalent AgS4 tetrahedra, edges with six equivalent CsS8 hexagonal bipyramids, edges with two equivalent AgS4 tetrahedra, edges with three equivalent TaS4 tetrahedra, and faces with two equivalent CsS8 hexagonal bipyramids. There are a spread of Cs–S bond distances ranging from 3.64–3.99 Å. Ta5+ is bonded to four equivalent S2- atoms to form TaS4 tetrahedra that share corners with four equivalent CsS8 hexagonal bipyramids, edges with six equivalent CsS8 hexagonal bipyramids, and edges with two equivalent AgS4 tetrahedra. All Ta–S bond lengths are 2.30 Å. Ag1+ is bonded to four equivalent S2- atoms to form AgS4 tetrahedra that share corners with eight equivalent CsS8 hexagonal bipyramids, edges with four equivalent CsS8 hexagonal bipyramids, and edges with two equivalent TaS4 tetrahedra. All Ag–S bond lengths are 2.58 Å. S2- is bonded in a 1-coordinate geometry to four equivalent Cs1+, one Ta5+, and one Ag1+ atom.},
doi = {10.17188/1191061},
url = {https://www.osti.gov/biblio/1191061}, journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat Jul 18 00:00:00 EDT 2020},
month = {Sat Jul 18 00:00:00 EDT 2020}
}