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

Title: Materials Data on SbS4N3 by Materials Project

Abstract

SbN3S4 crystallizes in the triclinic P1 space group. The structure is one-dimensional and consists of one SbN3S4 ribbon oriented in the (0, 1, 0) direction. Sb3+ is bonded in a 2-coordinate geometry to two S2- atoms. There are one shorter (2.55 Å) and one longer (2.62 Å) Sb–S bond lengths. There are three inequivalent N+1.67+ sites. In the first N+1.67+ site, N+1.67+ is bonded in a bent 120 degrees geometry to two S2- atoms. There is one shorter (1.21 Å) and one longer (2.09 Å) N–S bond length. In the second N+1.67+ site, N+1.67+ is bonded in a distorted single-bond geometry to two S2- atoms. There is one shorter (1.34 Å) and one longer (2.52 Å) N–S bond length. In the third N+1.67+ site, N+1.67+ is bonded in a single-bond geometry to two S2- atoms. There are one shorter (1.60 Å) and one longer (2.66 Å) N–S bond lengths. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted water-like geometry to one Sb3+ and two N+1.67+ atoms. In the second S2- site, S2- is bonded in a single-bond geometry to one Sb3+ atom. In the third S2- site, S2- is bonded inmore » a 2-coordinate geometry to three N+1.67+ atoms. In the fourth S2- site, S2- is bonded in a single-bond geometry to one N+1.67+ atom.« less

Authors:
Publication Date:
Other Number(s):
mp-1179558
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; SbS4N3; N-S-Sb
OSTI Identifier:
1738091
DOI:
https://doi.org/10.17188/1738091

Citation Formats

The Materials Project. Materials Data on SbS4N3 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1738091.
The Materials Project. Materials Data on SbS4N3 by Materials Project. United States. doi:https://doi.org/10.17188/1738091
The Materials Project. 2019. "Materials Data on SbS4N3 by Materials Project". United States. doi:https://doi.org/10.17188/1738091. https://www.osti.gov/servlets/purl/1738091. Pub date:Fri Jan 11 00:00:00 EST 2019
@article{osti_1738091,
title = {Materials Data on SbS4N3 by Materials Project},
author = {The Materials Project},
abstractNote = {SbN3S4 crystallizes in the triclinic P1 space group. The structure is one-dimensional and consists of one SbN3S4 ribbon oriented in the (0, 1, 0) direction. Sb3+ is bonded in a 2-coordinate geometry to two S2- atoms. There are one shorter (2.55 Å) and one longer (2.62 Å) Sb–S bond lengths. There are three inequivalent N+1.67+ sites. In the first N+1.67+ site, N+1.67+ is bonded in a bent 120 degrees geometry to two S2- atoms. There is one shorter (1.21 Å) and one longer (2.09 Å) N–S bond length. In the second N+1.67+ site, N+1.67+ is bonded in a distorted single-bond geometry to two S2- atoms. There is one shorter (1.34 Å) and one longer (2.52 Å) N–S bond length. In the third N+1.67+ site, N+1.67+ is bonded in a single-bond geometry to two S2- atoms. There are one shorter (1.60 Å) and one longer (2.66 Å) N–S bond lengths. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted water-like geometry to one Sb3+ and two N+1.67+ atoms. In the second S2- site, S2- is bonded in a single-bond geometry to one Sb3+ atom. In the third S2- site, S2- is bonded in a 2-coordinate geometry to three N+1.67+ atoms. In the fourth S2- site, S2- is bonded in a single-bond geometry to one N+1.67+ atom.},
doi = {10.17188/1738091},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}