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Title: Materials Data on SbS2N by Materials Project

Abstract

SbNS2 is alpha Np-like structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two SbNS2 clusters. there are two inequivalent Sb3+ sites. In the first Sb3+ site, Sb3+ is bonded in a 3-coordinate geometry to three S2- atoms. There are a spread of Sb–S bond distances ranging from 2.51–2.89 Å. In the second Sb3+ site, Sb3+ is bonded in an L-shaped geometry to two S2- atoms. There are one shorter (2.40 Å) and one longer (2.44 Å) Sb–S bond lengths. There are two inequivalent N1+ sites. In the first N1+ site, N1+ is bonded in a single-bond geometry to one S2- atom. The N–S bond length is 1.54 Å. In the second N1+ site, N1+ is bonded in a bent 120 degrees geometry to two S2- atoms. Both N–S bond lengths are 1.66 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted single-bond geometry to one Sb3+ and one N1+ atom. In the second S2- site, S2- is bonded in a water-like geometry to two N1+ atoms. In the third S2- site, S2- is bonded in an L-shaped geometry to two Sb3+ atoms. Inmore » the fourth S2- site, S2- is bonded in an L-shaped geometry to two Sb3+ atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-1179588
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; SbS2N; N-S-Sb
OSTI Identifier:
1684352
DOI:
https://doi.org/10.17188/1684352

Citation Formats

The Materials Project. Materials Data on SbS2N by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1684352.
The Materials Project. Materials Data on SbS2N by Materials Project. United States. doi:https://doi.org/10.17188/1684352
The Materials Project. 2019. "Materials Data on SbS2N by Materials Project". United States. doi:https://doi.org/10.17188/1684352. https://www.osti.gov/servlets/purl/1684352. Pub date:Fri Jan 11 00:00:00 EST 2019
@article{osti_1684352,
title = {Materials Data on SbS2N by Materials Project},
author = {The Materials Project},
abstractNote = {SbNS2 is alpha Np-like structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two SbNS2 clusters. there are two inequivalent Sb3+ sites. In the first Sb3+ site, Sb3+ is bonded in a 3-coordinate geometry to three S2- atoms. There are a spread of Sb–S bond distances ranging from 2.51–2.89 Å. In the second Sb3+ site, Sb3+ is bonded in an L-shaped geometry to two S2- atoms. There are one shorter (2.40 Å) and one longer (2.44 Å) Sb–S bond lengths. There are two inequivalent N1+ sites. In the first N1+ site, N1+ is bonded in a single-bond geometry to one S2- atom. The N–S bond length is 1.54 Å. In the second N1+ site, N1+ is bonded in a bent 120 degrees geometry to two S2- atoms. Both N–S bond lengths are 1.66 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted single-bond geometry to one Sb3+ and one N1+ atom. In the second S2- site, S2- is bonded in a water-like geometry to two N1+ atoms. In the third S2- site, S2- is bonded in an L-shaped geometry to two Sb3+ atoms. In the fourth S2- site, S2- is bonded in an L-shaped geometry to two Sb3+ atoms.},
doi = {10.17188/1684352},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}