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Title: Materials Data on PtS4N3Cl by Materials Project

Abstract

PtN3S4Cl crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four PtN3S4Cl clusters. Pt2+ is bonded in a distorted square co-planar geometry to one N+2.33+, two equivalent S2-, and one Cl1- atom. The Pt–N bond length is 1.99 Å. Both Pt–S bond lengths are 2.26 Å. The Pt–Cl bond length is 2.33 Å. There are two inequivalent N+2.33+ sites. In the first N+2.33+ site, N+2.33+ is bonded in a bent 120 degrees geometry to two S2- atoms. There is one shorter (1.57 Å) and one longer (1.63 Å) N–S bond length. In the second N+2.33+ site, N+2.33+ is bonded in a distorted trigonal planar geometry to one Pt2+ and two equivalent S2- atoms. Both N–S bond lengths are 1.69 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted water-like geometry to one Pt2+ and one N+2.33+ atom. In the second S2- site, S2- is bonded in a water-like geometry to two N+2.33+ atoms. Cl1- is bonded in a distorted single-bond geometry to one Pt2+ atom.

Publication Date:
Other Number(s):
mp-557029
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; PtS4N3Cl; Cl-N-Pt-S
OSTI Identifier:
1269663
DOI:
10.17188/1269663

Citation Formats

The Materials Project. Materials Data on PtS4N3Cl by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1269663.
The Materials Project. Materials Data on PtS4N3Cl by Materials Project. United States. doi:10.17188/1269663.
The Materials Project. 2020. "Materials Data on PtS4N3Cl by Materials Project". United States. doi:10.17188/1269663. https://www.osti.gov/servlets/purl/1269663. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1269663,
title = {Materials Data on PtS4N3Cl by Materials Project},
author = {The Materials Project},
abstractNote = {PtN3S4Cl crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four PtN3S4Cl clusters. Pt2+ is bonded in a distorted square co-planar geometry to one N+2.33+, two equivalent S2-, and one Cl1- atom. The Pt–N bond length is 1.99 Å. Both Pt–S bond lengths are 2.26 Å. The Pt–Cl bond length is 2.33 Å. There are two inequivalent N+2.33+ sites. In the first N+2.33+ site, N+2.33+ is bonded in a bent 120 degrees geometry to two S2- atoms. There is one shorter (1.57 Å) and one longer (1.63 Å) N–S bond length. In the second N+2.33+ site, N+2.33+ is bonded in a distorted trigonal planar geometry to one Pt2+ and two equivalent S2- atoms. Both N–S bond lengths are 1.69 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted water-like geometry to one Pt2+ and one N+2.33+ atom. In the second S2- site, S2- is bonded in a water-like geometry to two N+2.33+ atoms. Cl1- is bonded in a distorted single-bond geometry to one Pt2+ atom.},
doi = {10.17188/1269663},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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