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Title: Materials Data on Sb2N3Cl7O by Materials Project

Abstract

Sb2N3OCl7 crystallizes in the orthorhombic Pnnm space group. The structure is three-dimensional. Sb5+ is bonded to one O2- and four Cl1- atoms to form a mixture of distorted edge and corner-sharing SbCl4O trigonal bipyramids. The Sb–O bond length is 1.97 Å. There are a spread of Sb–Cl bond distances ranging from 2.37–2.70 Å. There are four inequivalent N+0.33- sites. In the first N+0.33- site, N+0.33- is bonded in a linear geometry to two equivalent O2- atoms. Both N–O bond lengths are 2.69 Å. In the second N+0.33- site, N+0.33- is bonded in a square co-planar geometry to four equivalent Cl1- atoms. All N–Cl bond lengths are 3.22 Å. In the third N+0.33- site, N+0.33- is bonded in a 5-coordinate geometry to seven Cl1- atoms. There are a spread of N–Cl bond distances ranging from 3.39–3.66 Å. In the fourth N+0.33- site, N+0.33- is bonded in a distorted single-bond geometry to one Cl1- atom. The N–Cl bond length is 1.62 Å. O2- is bonded in a distorted bent 120 degrees geometry to two equivalent Sb5+ and one N+0.33- atom. There are five inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted L-shaped geometry to two equivalentmore » Sb5+ atoms. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to two N+0.33- atoms. In the third Cl1- site, Cl1- is bonded in a distorted linear geometry to two equivalent Sb5+ and two equivalent N+0.33- atoms. In the fourth Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb5+ and one N+0.33- atom. In the fifth Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Sb5+ and two N+0.33- atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-1179601
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; Sb2N3Cl7O; Cl-N-O-Sb
OSTI Identifier:
1740285
DOI:
https://doi.org/10.17188/1740285

Citation Formats

The Materials Project. Materials Data on Sb2N3Cl7O by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1740285.
The Materials Project. Materials Data on Sb2N3Cl7O by Materials Project. United States. doi:https://doi.org/10.17188/1740285
The Materials Project. 2020. "Materials Data on Sb2N3Cl7O by Materials Project". United States. doi:https://doi.org/10.17188/1740285. https://www.osti.gov/servlets/purl/1740285. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1740285,
title = {Materials Data on Sb2N3Cl7O by Materials Project},
author = {The Materials Project},
abstractNote = {Sb2N3OCl7 crystallizes in the orthorhombic Pnnm space group. The structure is three-dimensional. Sb5+ is bonded to one O2- and four Cl1- atoms to form a mixture of distorted edge and corner-sharing SbCl4O trigonal bipyramids. The Sb–O bond length is 1.97 Å. There are a spread of Sb–Cl bond distances ranging from 2.37–2.70 Å. There are four inequivalent N+0.33- sites. In the first N+0.33- site, N+0.33- is bonded in a linear geometry to two equivalent O2- atoms. Both N–O bond lengths are 2.69 Å. In the second N+0.33- site, N+0.33- is bonded in a square co-planar geometry to four equivalent Cl1- atoms. All N–Cl bond lengths are 3.22 Å. In the third N+0.33- site, N+0.33- is bonded in a 5-coordinate geometry to seven Cl1- atoms. There are a spread of N–Cl bond distances ranging from 3.39–3.66 Å. In the fourth N+0.33- site, N+0.33- is bonded in a distorted single-bond geometry to one Cl1- atom. The N–Cl bond length is 1.62 Å. O2- is bonded in a distorted bent 120 degrees geometry to two equivalent Sb5+ and one N+0.33- atom. There are five inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted L-shaped geometry to two equivalent Sb5+ atoms. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to two N+0.33- atoms. In the third Cl1- site, Cl1- is bonded in a distorted linear geometry to two equivalent Sb5+ and two equivalent N+0.33- atoms. In the fourth Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb5+ and one N+0.33- atom. In the fifth Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Sb5+ and two N+0.33- atoms.},
doi = {10.17188/1740285},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}