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Title: Materials Data on BaAg2GeS4 by Materials Project

Abstract

BaAg2GeS4 crystallizes in the tetragonal I-42m space group. The structure is three-dimensional. Ba2+ is bonded in a 8-coordinate geometry to eight equivalent S2- atoms. There are four shorter (3.28 Å) and four longer (3.40 Å) Ba–S bond lengths. Ag1+ is bonded to four equivalent S2- atoms to form distorted AgS4 trigonal pyramids that share corners with four equivalent GeS4 tetrahedra and corners with four equivalent AgS4 trigonal pyramids. All Ag–S bond lengths are 2.62 Å. Ge4+ is bonded to four equivalent S2- atoms to form GeS4 tetrahedra that share corners with eight equivalent AgS4 trigonal pyramids. All Ge–S bond lengths are 2.24 Å. S2- is bonded in a 5-coordinate geometry to two equivalent Ba2+, two equivalent Ag1+, and one Ge4+ atom.

Publication Date:
Other Number(s):
mp-7394
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; BaAg2GeS4; Ag-Ba-Ge-S
OSTI Identifier:
1287918
DOI:
10.17188/1287918

Citation Formats

The Materials Project. Materials Data on BaAg2GeS4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1287918.
The Materials Project. Materials Data on BaAg2GeS4 by Materials Project. United States. doi:10.17188/1287918.
The Materials Project. 2020. "Materials Data on BaAg2GeS4 by Materials Project". United States. doi:10.17188/1287918. https://www.osti.gov/servlets/purl/1287918. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1287918,
title = {Materials Data on BaAg2GeS4 by Materials Project},
author = {The Materials Project},
abstractNote = {BaAg2GeS4 crystallizes in the tetragonal I-42m space group. The structure is three-dimensional. Ba2+ is bonded in a 8-coordinate geometry to eight equivalent S2- atoms. There are four shorter (3.28 Å) and four longer (3.40 Å) Ba–S bond lengths. Ag1+ is bonded to four equivalent S2- atoms to form distorted AgS4 trigonal pyramids that share corners with four equivalent GeS4 tetrahedra and corners with four equivalent AgS4 trigonal pyramids. All Ag–S bond lengths are 2.62 Å. Ge4+ is bonded to four equivalent S2- atoms to form GeS4 tetrahedra that share corners with eight equivalent AgS4 trigonal pyramids. All Ge–S bond lengths are 2.24 Å. S2- is bonded in a 5-coordinate geometry to two equivalent Ba2+, two equivalent Ag1+, and one Ge4+ atom.},
doi = {10.17188/1287918},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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