skip to main content
DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on AgAsC4S8(N2F3)2 by Materials Project

Abstract

AgC4AsS8(N2F3)2 crystallizes in the tetragonal P-4 space group. The structure is three-dimensional. Ag1+ is bonded in a tetrahedral geometry to four equivalent N atoms. All Ag–N bond lengths are 2.28 Å. C4+ is bonded in a distorted linear geometry to one N and one S2- atom. The C–N bond length is 1.17 Å. The C–S bond length is 1.68 Å. As5+ is bonded in an octahedral geometry to six F1- atoms. All As–F bond lengths are 1.78 Å. N is bonded in a bent 150 degrees geometry to one Ag1+ and one C4+ atom. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 4-coordinate geometry to one C4+, one S2-, and two equivalent F1- atoms. The S–S bond length is 2.12 Å. There are one shorter (3.21 Å) and one longer (3.27 Å) S–F bond lengths. In the second S2- site, S2- is bonded in a distorted water-like geometry to two S2- atoms. The S–S bond length is 2.00 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one As5+ and four equivalent S2- atoms. In the second F1- site, F1- ismore » bonded in a single-bond geometry to one As5+ atom.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-554710
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; AgAsC4S8(N2F3)2; Ag-As-C-F-N-S
OSTI Identifier:
1268055
DOI:
10.17188/1268055

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on AgAsC4S8(N2F3)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1268055.
Persson, Kristin, & Project, Materials. Materials Data on AgAsC4S8(N2F3)2 by Materials Project. United States. doi:10.17188/1268055.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on AgAsC4S8(N2F3)2 by Materials Project". United States. doi:10.17188/1268055. https://www.osti.gov/servlets/purl/1268055. Pub date:Fri Jul 24 00:00:00 EDT 2020
@article{osti_1268055,
title = {Materials Data on AgAsC4S8(N2F3)2 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {AgC4AsS8(N2F3)2 crystallizes in the tetragonal P-4 space group. The structure is three-dimensional. Ag1+ is bonded in a tetrahedral geometry to four equivalent N atoms. All Ag–N bond lengths are 2.28 Å. C4+ is bonded in a distorted linear geometry to one N and one S2- atom. The C–N bond length is 1.17 Å. The C–S bond length is 1.68 Å. As5+ is bonded in an octahedral geometry to six F1- atoms. All As–F bond lengths are 1.78 Å. N is bonded in a bent 150 degrees geometry to one Ag1+ and one C4+ atom. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 4-coordinate geometry to one C4+, one S2-, and two equivalent F1- atoms. The S–S bond length is 2.12 Å. There are one shorter (3.21 Å) and one longer (3.27 Å) S–F bond lengths. In the second S2- site, S2- is bonded in a distorted water-like geometry to two S2- atoms. The S–S bond length is 2.00 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one As5+ and four equivalent S2- atoms. In the second F1- site, F1- is bonded in a single-bond geometry to one As5+ atom.},
doi = {10.17188/1268055},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

Dataset:

Save / Share: