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Title: Materials Data on PtC2(SN2)2 by Materials Project

Abstract

PtC2(N2S)2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of two PtC2(N2S)2 clusters. Pt2+ is bonded in a 2-coordinate geometry to two N+1.50- and two S2- atoms. There is one shorter (1.79 Å) and one longer (1.80 Å) Pt–N bond length. There are one shorter (2.28 Å) and one longer (2.56 Å) Pt–S bond lengths. There are two inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a distorted linear geometry to one N+1.50- and one S2- atom. The C–N bond length is 1.18 Å. The C–S bond length is 1.66 Å. In the second C4+ site, C4+ is bonded in a distorted linear geometry to one N+1.50- and one S2- atom. The C–N bond length is 1.18 Å. The C–S bond length is 1.68 Å. There are four inequivalent N+1.50- sites. In the first N+1.50- site, N+1.50- is bonded in a distorted single-bond geometry to one Pt2+ and two equivalent S2- atoms. There are one shorter (2.65 Å) and one longer (3.60 Å) N–S bond lengths. In the second N+1.50- site, N+1.50- is bonded in a single-bond geometry to one C4+ atom. In the third N+1.50- site, N+1.50- is bonded inmore » a single-bond geometry to one C4+ atom. In the fourth N+1.50- site, N+1.50- is bonded in a single-bond geometry to one Pt2+ and one S2- atom. The N–S bond length is 2.77 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 1-coordinate geometry to one Pt2+, one C4+, and three N+1.50- atoms. In the second S2- site, S2- is bonded in a water-like geometry to one Pt2+ and one C4+ atom.« less

Publication Date:
Other Number(s):
mp-1197127
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; PtC2(SN2)2; C-N-Pt-S
OSTI Identifier:
1666967
DOI:
https://doi.org/10.17188/1666967

Citation Formats

The Materials Project. Materials Data on PtC2(SN2)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1666967.
The Materials Project. Materials Data on PtC2(SN2)2 by Materials Project. United States. doi:https://doi.org/10.17188/1666967
The Materials Project. 2020. "Materials Data on PtC2(SN2)2 by Materials Project". United States. doi:https://doi.org/10.17188/1666967. https://www.osti.gov/servlets/purl/1666967. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1666967,
title = {Materials Data on PtC2(SN2)2 by Materials Project},
author = {The Materials Project},
abstractNote = {PtC2(N2S)2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of two PtC2(N2S)2 clusters. Pt2+ is bonded in a 2-coordinate geometry to two N+1.50- and two S2- atoms. There is one shorter (1.79 Å) and one longer (1.80 Å) Pt–N bond length. There are one shorter (2.28 Å) and one longer (2.56 Å) Pt–S bond lengths. There are two inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a distorted linear geometry to one N+1.50- and one S2- atom. The C–N bond length is 1.18 Å. The C–S bond length is 1.66 Å. In the second C4+ site, C4+ is bonded in a distorted linear geometry to one N+1.50- and one S2- atom. The C–N bond length is 1.18 Å. The C–S bond length is 1.68 Å. There are four inequivalent N+1.50- sites. In the first N+1.50- site, N+1.50- is bonded in a distorted single-bond geometry to one Pt2+ and two equivalent S2- atoms. There are one shorter (2.65 Å) and one longer (3.60 Å) N–S bond lengths. In the second N+1.50- site, N+1.50- is bonded in a single-bond geometry to one C4+ atom. In the third N+1.50- site, N+1.50- is bonded in a single-bond geometry to one C4+ atom. In the fourth N+1.50- site, N+1.50- is bonded in a single-bond geometry to one Pt2+ and one S2- atom. The N–S bond length is 2.77 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 1-coordinate geometry to one Pt2+, one C4+, and three N+1.50- atoms. In the second S2- site, S2- is bonded in a water-like geometry to one Pt2+ and one C4+ atom.},
doi = {10.17188/1666967},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}