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Title: Materials Data on S5N5Cl by Materials Project

Abstract

N5S5Cl crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are three inequivalent N+2.20+ sites. In the first N+2.20+ site, N+2.20+ is bonded in a bent 150 degrees geometry to two S2- atoms. There is one shorter (1.56 Å) and one longer (1.58 Å) N–S bond length. In the second N+2.20+ site, N+2.20+ is bonded in a bent 150 degrees geometry to two S2- atoms. Both N–S bond lengths are 1.59 Å. In the third N+2.20+ site, N+2.20+ is bonded in a bent 120 degrees geometry to two equivalent S2- atoms. Both N–S bond lengths are 1.60 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a water-like geometry to two N+2.20+ and two equivalent Cl1- atoms. There are one shorter (3.25 Å) and one longer (3.41 Å) S–Cl bond lengths. In the second S2- site, S2- is bonded in a bent 120 degrees geometry to two equivalent N+2.20+ and two equivalent Cl1- atoms. Both S–Cl bond lengths are 3.78 Å. In the third S2- site, S2- is bonded in a water-like geometry to two N+2.20+ and two equivalent Cl1- atoms. Both S–Cl bond lengths are 3.38 Å. Cl1- ismore » bonded in a 10-coordinate geometry to ten S2- atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-28374
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; S5N5Cl; Cl-N-S
OSTI Identifier:
1202490
DOI:
https://doi.org/10.17188/1202490

Citation Formats

The Materials Project. Materials Data on S5N5Cl by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1202490.
The Materials Project. Materials Data on S5N5Cl by Materials Project. United States. doi:https://doi.org/10.17188/1202490
The Materials Project. 2020. "Materials Data on S5N5Cl by Materials Project". United States. doi:https://doi.org/10.17188/1202490. https://www.osti.gov/servlets/purl/1202490. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1202490,
title = {Materials Data on S5N5Cl by Materials Project},
author = {The Materials Project},
abstractNote = {N5S5Cl crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are three inequivalent N+2.20+ sites. In the first N+2.20+ site, N+2.20+ is bonded in a bent 150 degrees geometry to two S2- atoms. There is one shorter (1.56 Å) and one longer (1.58 Å) N–S bond length. In the second N+2.20+ site, N+2.20+ is bonded in a bent 150 degrees geometry to two S2- atoms. Both N–S bond lengths are 1.59 Å. In the third N+2.20+ site, N+2.20+ is bonded in a bent 120 degrees geometry to two equivalent S2- atoms. Both N–S bond lengths are 1.60 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a water-like geometry to two N+2.20+ and two equivalent Cl1- atoms. There are one shorter (3.25 Å) and one longer (3.41 Å) S–Cl bond lengths. In the second S2- site, S2- is bonded in a bent 120 degrees geometry to two equivalent N+2.20+ and two equivalent Cl1- atoms. Both S–Cl bond lengths are 3.78 Å. In the third S2- site, S2- is bonded in a water-like geometry to two N+2.20+ and two equivalent Cl1- atoms. Both S–Cl bond lengths are 3.38 Å. Cl1- is bonded in a 10-coordinate geometry to ten S2- atoms.},
doi = {10.17188/1202490},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}