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Title: Materials Data on FeAgSb(S2N3)2 by Materials Project

Abstract

FeAgSb(N3S2)2 crystallizes in the tetragonal P-4n2 space group. The structure is three-dimensional. Fe3+ is bonded in a distorted octahedral geometry to six N+0.33- atoms. There is two shorter (1.68 Å) and four longer (2.16 Å) Fe–N bond length. Ag2+ is bonded in a 4-coordinate geometry to four equivalent S2- atoms. All Ag–S bond lengths are 2.70 Å. Sb5+ is bonded in a 4-coordinate geometry to four equivalent S2- atoms. All Sb–S bond lengths are 2.75 Å. There are two inequivalent N+0.33- sites. In the first N+0.33- site, N+0.33- is bonded in a 2-coordinate geometry to one Fe3+, one N+0.33-, and two equivalent S2- atoms. The N–N bond length is 1.14 Å. There are one shorter (3.02 Å) and one longer (3.05 Å) N–S bond lengths. In the second N+0.33- site, N+0.33- is bonded in a single-bond geometry to one Fe3+ and four equivalent S2- atoms. There are two shorter (3.18 Å) and two longer (3.22 Å) N–S bond lengths. S2- is bonded in a 3-coordinate geometry to one Ag2+, one Sb5+, four N+0.33-, and one S2- atom. The S–S bond length is 2.04 Å.

Authors:
Publication Date:
Other Number(s):
mp-1194556
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; FeAgSb(S2N3)2; Ag-Fe-N-S-Sb
OSTI Identifier:
1678608
DOI:
https://doi.org/10.17188/1678608

Citation Formats

The Materials Project. Materials Data on FeAgSb(S2N3)2 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1678608.
The Materials Project. Materials Data on FeAgSb(S2N3)2 by Materials Project. United States. doi:https://doi.org/10.17188/1678608
The Materials Project. 2019. "Materials Data on FeAgSb(S2N3)2 by Materials Project". United States. doi:https://doi.org/10.17188/1678608. https://www.osti.gov/servlets/purl/1678608. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1678608,
title = {Materials Data on FeAgSb(S2N3)2 by Materials Project},
author = {The Materials Project},
abstractNote = {FeAgSb(N3S2)2 crystallizes in the tetragonal P-4n2 space group. The structure is three-dimensional. Fe3+ is bonded in a distorted octahedral geometry to six N+0.33- atoms. There is two shorter (1.68 Å) and four longer (2.16 Å) Fe–N bond length. Ag2+ is bonded in a 4-coordinate geometry to four equivalent S2- atoms. All Ag–S bond lengths are 2.70 Å. Sb5+ is bonded in a 4-coordinate geometry to four equivalent S2- atoms. All Sb–S bond lengths are 2.75 Å. There are two inequivalent N+0.33- sites. In the first N+0.33- site, N+0.33- is bonded in a 2-coordinate geometry to one Fe3+, one N+0.33-, and two equivalent S2- atoms. The N–N bond length is 1.14 Å. There are one shorter (3.02 Å) and one longer (3.05 Å) N–S bond lengths. In the second N+0.33- site, N+0.33- is bonded in a single-bond geometry to one Fe3+ and four equivalent S2- atoms. There are two shorter (3.18 Å) and two longer (3.22 Å) N–S bond lengths. S2- is bonded in a 3-coordinate geometry to one Ag2+, one Sb5+, four N+0.33-, and one S2- atom. The S–S bond length is 2.04 Å.},
doi = {10.17188/1678608},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}