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Title: Materials Data on S3N2Cl by Materials Project

Abstract

N2S3Cl crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. there are two inequivalent N3+ sites. In the first N3+ site, N3+ is bonded in a bent 120 degrees geometry to two S+1.67- atoms. There is one shorter (1.58 Å) and one longer (1.62 Å) N–S bond length. In the second N3+ site, N3+ is bonded in a bent 120 degrees geometry to two S+1.67- atoms. There is one shorter (1.58 Å) and one longer (1.62 Å) N–S bond length. There are three inequivalent S+1.67- sites. In the first S+1.67- site, S+1.67- is bonded in a distorted single-bond geometry to one N3+ and two equivalent Cl1- atoms. There are one shorter (2.85 Å) and one longer (3.26 Å) S–Cl bond lengths. In the second S+1.67- site, S+1.67- is bonded in a water-like geometry to two N3+ and two equivalent Cl1- atoms. There are one shorter (3.26 Å) and one longer (3.48 Å) S–Cl bond lengths. In the third S+1.67- site, S+1.67- is bonded in a distorted single-bond geometry to one N3+ and two equivalent Cl1- atoms. There are one shorter (2.81 Å) and one longer (3.58 Å) S–Cl bond lengths. Cl1- is bonded in a 6-coordinate geometry tomore » six S+1.67- atoms.« less

Publication Date:
Other Number(s):
mp-29311
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; S3N2Cl; Cl-N-S
OSTI Identifier:
1203678
DOI:
https://doi.org/10.17188/1203678

Citation Formats

The Materials Project. Materials Data on S3N2Cl by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1203678.
The Materials Project. Materials Data on S3N2Cl by Materials Project. United States. doi:https://doi.org/10.17188/1203678
The Materials Project. 2020. "Materials Data on S3N2Cl by Materials Project". United States. doi:https://doi.org/10.17188/1203678. https://www.osti.gov/servlets/purl/1203678. Pub date:Fri May 01 00:00:00 EDT 2020
@article{osti_1203678,
title = {Materials Data on S3N2Cl by Materials Project},
author = {The Materials Project},
abstractNote = {N2S3Cl crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. there are two inequivalent N3+ sites. In the first N3+ site, N3+ is bonded in a bent 120 degrees geometry to two S+1.67- atoms. There is one shorter (1.58 Å) and one longer (1.62 Å) N–S bond length. In the second N3+ site, N3+ is bonded in a bent 120 degrees geometry to two S+1.67- atoms. There is one shorter (1.58 Å) and one longer (1.62 Å) N–S bond length. There are three inequivalent S+1.67- sites. In the first S+1.67- site, S+1.67- is bonded in a distorted single-bond geometry to one N3+ and two equivalent Cl1- atoms. There are one shorter (2.85 Å) and one longer (3.26 Å) S–Cl bond lengths. In the second S+1.67- site, S+1.67- is bonded in a water-like geometry to two N3+ and two equivalent Cl1- atoms. There are one shorter (3.26 Å) and one longer (3.48 Å) S–Cl bond lengths. In the third S+1.67- site, S+1.67- is bonded in a distorted single-bond geometry to one N3+ and two equivalent Cl1- atoms. There are one shorter (2.81 Å) and one longer (3.58 Å) S–Cl bond lengths. Cl1- is bonded in a 6-coordinate geometry to six S+1.67- atoms.},
doi = {10.17188/1203678},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}