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Title: Materials Data on ZnAg2C4(SN)4 by Materials Project

Abstract

Ag2ZnC4(NS)4 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Ag1+ is bonded to four S2- atoms to form corner-sharing AgS4 tetrahedra. There are a spread of Ag–S bond distances ranging from 2.59–2.67 Å. Zn2+ is bonded in a tetrahedral geometry to four N3- atoms. All Zn–N bond lengths are 1.97 Å. There are two inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a distorted linear geometry to one N3- and one S2- atom. The C–N bond length is 1.18 Å. The C–S bond length is 1.64 Å. In the second C4+ site, C4+ is bonded in a linear geometry to one N3- and one S2- atom. The C–N bond length is 1.18 Å. The C–S bond length is 1.64 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a bent 150 degrees geometry to one Zn2+ and one C4+ atom. In the second N3- site, N3- is bonded in a linear geometry to one Zn2+ and one C4+ atom. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a trigonal non-coplanar geometry to two equivalent Ag1+ and one C4+ atom.more » In the second S2- site, S2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Ag1+ and one C4+ atom.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-559335
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; ZnAg2C4(SN)4; Ag-C-N-S-Zn
OSTI Identifier:
1270808
DOI:
10.17188/1270808

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on ZnAg2C4(SN)4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1270808.
Persson, Kristin, & Project, Materials. Materials Data on ZnAg2C4(SN)4 by Materials Project. United States. doi:10.17188/1270808.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on ZnAg2C4(SN)4 by Materials Project". United States. doi:10.17188/1270808. https://www.osti.gov/servlets/purl/1270808. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1270808,
title = {Materials Data on ZnAg2C4(SN)4 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Ag2ZnC4(NS)4 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Ag1+ is bonded to four S2- atoms to form corner-sharing AgS4 tetrahedra. There are a spread of Ag–S bond distances ranging from 2.59–2.67 Å. Zn2+ is bonded in a tetrahedral geometry to four N3- atoms. All Zn–N bond lengths are 1.97 Å. There are two inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a distorted linear geometry to one N3- and one S2- atom. The C–N bond length is 1.18 Å. The C–S bond length is 1.64 Å. In the second C4+ site, C4+ is bonded in a linear geometry to one N3- and one S2- atom. The C–N bond length is 1.18 Å. The C–S bond length is 1.64 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a bent 150 degrees geometry to one Zn2+ and one C4+ atom. In the second N3- site, N3- is bonded in a linear geometry to one Zn2+ and one C4+ atom. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a trigonal non-coplanar geometry to two equivalent Ag1+ and one C4+ atom. In the second S2- site, S2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Ag1+ and one C4+ atom.},
doi = {10.17188/1270808},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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