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Title: Materials Data on Cs2Ti(AgS2)2 by Materials Project

Abstract

Cs2Ti(AgS2)2 crystallizes in the tetragonal P4_2/mcm space group. The structure is three-dimensional. Cs1+ is bonded in a distorted body-centered cubic geometry to eight equivalent S2- atoms. There are four shorter (3.62 Å) and four longer (3.84 Å) Cs–S bond lengths. Ti4+ is bonded to four equivalent S2- atoms to form TiS4 tetrahedra that share edges with four equivalent AgS4 tetrahedra. All Ti–S bond lengths are 2.31 Å. Ag1+ is bonded to four equivalent S2- atoms to form distorted AgS4 tetrahedra that share corners with four equivalent AgS4 tetrahedra and edges with two equivalent TiS4 tetrahedra. All Ag–S bond lengths are 2.59 Å. S2- is bonded in a 1-coordinate geometry to four equivalent Cs1+, one Ti4+, and two equivalent Ag1+ atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-10488
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; Cs2Ti(AgS2)2; Ag-Cs-S-Ti
OSTI Identifier:
1187154
DOI:
10.17188/1187154

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Cs2Ti(AgS2)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1187154.
Persson, Kristin, & Project, Materials. Materials Data on Cs2Ti(AgS2)2 by Materials Project. United States. doi:10.17188/1187154.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Cs2Ti(AgS2)2 by Materials Project". United States. doi:10.17188/1187154. https://www.osti.gov/servlets/purl/1187154. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1187154,
title = {Materials Data on Cs2Ti(AgS2)2 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Cs2Ti(AgS2)2 crystallizes in the tetragonal P4_2/mcm space group. The structure is three-dimensional. Cs1+ is bonded in a distorted body-centered cubic geometry to eight equivalent S2- atoms. There are four shorter (3.62 Å) and four longer (3.84 Å) Cs–S bond lengths. Ti4+ is bonded to four equivalent S2- atoms to form TiS4 tetrahedra that share edges with four equivalent AgS4 tetrahedra. All Ti–S bond lengths are 2.31 Å. Ag1+ is bonded to four equivalent S2- atoms to form distorted AgS4 tetrahedra that share corners with four equivalent AgS4 tetrahedra and edges with two equivalent TiS4 tetrahedra. All Ag–S bond lengths are 2.59 Å. S2- is bonded in a 1-coordinate geometry to four equivalent Cs1+, one Ti4+, and two equivalent Ag1+ atoms.},
doi = {10.17188/1187154},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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