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Title: Materials Data on SbS2NCl8 by Materials Project

Abstract

SbCl6NS2Cl2 is Modderite-like structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four NS2Cl2 clusters and four SbCl6 clusters. In each NS2Cl2 cluster, N1+ is bonded in a distorted bent 150 degrees geometry to two S2+ atoms. Both N–S bond lengths are 1.54 Å. There are two inequivalent S2+ sites. In the first S2+ site, S2+ is bonded in a distorted water-like geometry to one N1+ and one Cl1- atom. The S–Cl bond length is 2.03 Å. In the second S2+ site, S2+ is bonded in a distorted water-like geometry to one N1+ and one Cl1- atom. The S–Cl bond length is 2.01 Å. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one S2+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one S2+ atom. In each SbCl6 cluster, Sb3+ is bonded in an octahedral geometry to six Cl1- atoms. There are a spread of Sb–Cl bond distances ranging from 2.40–2.43 Å. There are six inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb3+ atom. In themore » second Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb3+ atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb3+ atom. In the fourth Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb3+ atom. In the fifth Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb3+ atom. In the sixth Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb3+ atom.« less

Publication Date:
Other Number(s):
mp-554625
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; SbS2NCl8; Cl-N-S-Sb
OSTI Identifier:
1267986
DOI:
10.17188/1267986

Citation Formats

The Materials Project. Materials Data on SbS2NCl8 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1267986.
The Materials Project. Materials Data on SbS2NCl8 by Materials Project. United States. doi:10.17188/1267986.
The Materials Project. 2020. "Materials Data on SbS2NCl8 by Materials Project". United States. doi:10.17188/1267986. https://www.osti.gov/servlets/purl/1267986. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1267986,
title = {Materials Data on SbS2NCl8 by Materials Project},
author = {The Materials Project},
abstractNote = {SbCl6NS2Cl2 is Modderite-like structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four NS2Cl2 clusters and four SbCl6 clusters. In each NS2Cl2 cluster, N1+ is bonded in a distorted bent 150 degrees geometry to two S2+ atoms. Both N–S bond lengths are 1.54 Å. There are two inequivalent S2+ sites. In the first S2+ site, S2+ is bonded in a distorted water-like geometry to one N1+ and one Cl1- atom. The S–Cl bond length is 2.03 Å. In the second S2+ site, S2+ is bonded in a distorted water-like geometry to one N1+ and one Cl1- atom. The S–Cl bond length is 2.01 Å. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one S2+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one S2+ atom. In each SbCl6 cluster, Sb3+ is bonded in an octahedral geometry to six Cl1- atoms. There are a spread of Sb–Cl bond distances ranging from 2.40–2.43 Å. There are six inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb3+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb3+ atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb3+ atom. In the fourth Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb3+ atom. In the fifth Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb3+ atom. In the sixth Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb3+ atom.},
doi = {10.17188/1267986},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

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