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Title: Materials Data on S(IN)2 by Materials Project

Abstract

S(NI)2 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one S(NI)2 sheet oriented in the (1, 1, -2) direction. there are four inequivalent N2+ sites. In the first N2+ site, N2+ is bonded in a 3-coordinate geometry to one S2- and two I1- atoms. The N–S bond length is 1.57 Å. There are one shorter (2.11 Å) and one longer (2.83 Å) N–I bond lengths. In the second N2+ site, N2+ is bonded in a 1-coordinate geometry to one S2- and two I1- atoms. The N–S bond length is 1.57 Å. There are one shorter (2.11 Å) and one longer (2.76 Å) N–I bond lengths. In the third N2+ site, N2+ is bonded in a 3-coordinate geometry to one S2- and two I1- atoms. The N–S bond length is 1.56 Å. There are one shorter (2.08 Å) and one longer (2.78 Å) N–I bond lengths. In the fourth N2+ site, N2+ is bonded in a distorted trigonal planar geometry to one S2- and two I1- atoms. The N–S bond length is 1.55 Å. There are one shorter (2.08 Å) and one longer (2.75 Å) N–I bond lengths. There are two inequivalent S2- sites. Inmore » the first S2- site, S2- is bonded in a bent 120 degrees geometry to two N2+ atoms. In the second S2- site, S2- is bonded in a bent 120 degrees geometry to two N2+ atoms. There are four inequivalent I1- sites. In the first I1- site, I1- is bonded in a linear geometry to two N2+ atoms. In the second I1- site, I1- is bonded in a distorted linear geometry to two N2+ atoms. In the third I1- site, I1- is bonded in a distorted linear geometry to two N2+ atoms. In the fourth I1- site, I1- is bonded in a distorted linear geometry to two N2+ atoms.« less

Publication Date:
Other Number(s):
mp-616514
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; S(IN)2; I-N-S
OSTI Identifier:
1277869
DOI:
https://doi.org/10.17188/1277869

Citation Formats

The Materials Project. Materials Data on S(IN)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1277869.
The Materials Project. Materials Data on S(IN)2 by Materials Project. United States. doi:https://doi.org/10.17188/1277869
The Materials Project. 2020. "Materials Data on S(IN)2 by Materials Project". United States. doi:https://doi.org/10.17188/1277869. https://www.osti.gov/servlets/purl/1277869. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1277869,
title = {Materials Data on S(IN)2 by Materials Project},
author = {The Materials Project},
abstractNote = {S(NI)2 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one S(NI)2 sheet oriented in the (1, 1, -2) direction. there are four inequivalent N2+ sites. In the first N2+ site, N2+ is bonded in a 3-coordinate geometry to one S2- and two I1- atoms. The N–S bond length is 1.57 Å. There are one shorter (2.11 Å) and one longer (2.83 Å) N–I bond lengths. In the second N2+ site, N2+ is bonded in a 1-coordinate geometry to one S2- and two I1- atoms. The N–S bond length is 1.57 Å. There are one shorter (2.11 Å) and one longer (2.76 Å) N–I bond lengths. In the third N2+ site, N2+ is bonded in a 3-coordinate geometry to one S2- and two I1- atoms. The N–S bond length is 1.56 Å. There are one shorter (2.08 Å) and one longer (2.78 Å) N–I bond lengths. In the fourth N2+ site, N2+ is bonded in a distorted trigonal planar geometry to one S2- and two I1- atoms. The N–S bond length is 1.55 Å. There are one shorter (2.08 Å) and one longer (2.75 Å) N–I bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a bent 120 degrees geometry to two N2+ atoms. In the second S2- site, S2- is bonded in a bent 120 degrees geometry to two N2+ atoms. There are four inequivalent I1- sites. In the first I1- site, I1- is bonded in a linear geometry to two N2+ atoms. In the second I1- site, I1- is bonded in a distorted linear geometry to two N2+ atoms. In the third I1- site, I1- is bonded in a distorted linear geometry to two N2+ atoms. In the fourth I1- site, I1- is bonded in a distorted linear geometry to two N2+ atoms.},
doi = {10.17188/1277869},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}