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

Title: Materials Data on Se2SN2Cl by Materials Project

Abstract

N2Se2SCl crystallizes in the orthorhombic Pbca space group. The structure is one-dimensional and consists of four N2Se2SCl ribbons oriented in the (1, 0, 0) direction. there are two inequivalent N+0.50+ sites. In the first N+0.50+ site, N+0.50+ is bonded in a single-bond geometry to one S2- atom. The N–S bond length is 1.57 Å. In the second N+0.50+ site, N+0.50+ is bonded in a single-bond geometry to one S2- atom. The N–S bond length is 1.57 Å. There are two inequivalent Se1+ sites. In the first Se1+ site, Se1+ is bonded in a 1-coordinate geometry to one Cl1- atom. The Se–Cl bond length is 2.90 Å. In the second Se1+ site, Se1+ is bonded in a 1-coordinate geometry to one Cl1- atom. The Se–Cl bond length is 2.91 Å. S2- is bonded in a bent 120 degrees geometry to two N+0.50+ and two equivalent Cl1- atoms. There are one shorter (3.46 Å) and one longer (3.60 Å) S–Cl bond lengths. Cl1- is bonded in a 4-coordinate geometry to two Se1+ and two equivalent S2- atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-628633
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; Se2SN2Cl; Cl-N-S-Se
OSTI Identifier:
1278922
DOI:
10.17188/1278922

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Se2SN2Cl by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1278922.
Persson, Kristin, & Project, Materials. Materials Data on Se2SN2Cl by Materials Project. United States. doi:10.17188/1278922.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Se2SN2Cl by Materials Project". United States. doi:10.17188/1278922. https://www.osti.gov/servlets/purl/1278922. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1278922,
title = {Materials Data on Se2SN2Cl by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {N2Se2SCl crystallizes in the orthorhombic Pbca space group. The structure is one-dimensional and consists of four N2Se2SCl ribbons oriented in the (1, 0, 0) direction. there are two inequivalent N+0.50+ sites. In the first N+0.50+ site, N+0.50+ is bonded in a single-bond geometry to one S2- atom. The N–S bond length is 1.57 Å. In the second N+0.50+ site, N+0.50+ is bonded in a single-bond geometry to one S2- atom. The N–S bond length is 1.57 Å. There are two inequivalent Se1+ sites. In the first Se1+ site, Se1+ is bonded in a 1-coordinate geometry to one Cl1- atom. The Se–Cl bond length is 2.90 Å. In the second Se1+ site, Se1+ is bonded in a 1-coordinate geometry to one Cl1- atom. The Se–Cl bond length is 2.91 Å. S2- is bonded in a bent 120 degrees geometry to two N+0.50+ and two equivalent Cl1- atoms. There are one shorter (3.46 Å) and one longer (3.60 Å) S–Cl bond lengths. Cl1- is bonded in a 4-coordinate geometry to two Se1+ and two equivalent S2- atoms.},
doi = {10.17188/1278922},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

Dataset:

Save / Share: