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Title: Materials Data on K2H4PtC6S6(N3O)2 by Materials Project

Abstract

K2PtC6H4S6(N3O)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. K1+ is bonded in a 10-coordinate geometry to six N3-, one H1+, and three equivalent O2- atoms. There are a spread of K–N bond distances ranging from 2.95–3.24 Å. The K–H bond length is 2.96 Å. There are a spread of K–O bond distances ranging from 2.86–3.10 Å. Pt4+ is bonded in an octahedral geometry to six S2- atoms. There are two shorter (2.42 Å) and four longer (2.44 Å) Pt–S bond lengths. There are three inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a distorted linear geometry to one N3- 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 N3- and one S2- atom. The C–N bond length is 1.18 Å. The C–S bond length is 1.66 Å. In the third C4+ site, C4+ is bonded in a distorted linear geometry to one N3- and one S2- atom. The C–N bond length is 1.18 Å. The C–S bond length is 1.66 Å. There are three inequivalent N3- sites. Inmore » the first N3- site, N3- is bonded in a distorted single-bond geometry to two equivalent K1+ and one C4+ atom. In the second N3- site, N3- is bonded in a single-bond geometry to two equivalent K1+ and one C4+ atom. In the third N3- site, N3- is bonded in a distorted single-bond geometry to two equivalent K1+ and one C4+ atom. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one K1+ and one O2- atom. The H–O bond length is 0.98 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a water-like geometry to one Pt4+ and one C4+ atom. In the second S2- site, S2- is bonded in a water-like geometry to one Pt4+ and one C4+ atom. In the third S2- site, S2- is bonded in a water-like geometry to one Pt4+ and one C4+ atom. O2- is bonded in a water-like geometry to three equivalent K1+ and two H1+ atoms.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-696056
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; K2H4PtC6S6(N3O)2; C-H-K-N-O-Pt-S
OSTI Identifier:
1284941
DOI:
10.17188/1284941

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on K2H4PtC6S6(N3O)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1284941.
Persson, Kristin, & Project, Materials. Materials Data on K2H4PtC6S6(N3O)2 by Materials Project. United States. doi:10.17188/1284941.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on K2H4PtC6S6(N3O)2 by Materials Project". United States. doi:10.17188/1284941. https://www.osti.gov/servlets/purl/1284941. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1284941,
title = {Materials Data on K2H4PtC6S6(N3O)2 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {K2PtC6H4S6(N3O)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. K1+ is bonded in a 10-coordinate geometry to six N3-, one H1+, and three equivalent O2- atoms. There are a spread of K–N bond distances ranging from 2.95–3.24 Å. The K–H bond length is 2.96 Å. There are a spread of K–O bond distances ranging from 2.86–3.10 Å. Pt4+ is bonded in an octahedral geometry to six S2- atoms. There are two shorter (2.42 Å) and four longer (2.44 Å) Pt–S bond lengths. There are three inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a distorted linear geometry to one N3- 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 N3- and one S2- atom. The C–N bond length is 1.18 Å. The C–S bond length is 1.66 Å. In the third C4+ site, C4+ is bonded in a distorted linear geometry to one N3- and one S2- atom. The C–N bond length is 1.18 Å. The C–S bond length is 1.66 Å. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted single-bond geometry to two equivalent K1+ and one C4+ atom. In the second N3- site, N3- is bonded in a single-bond geometry to two equivalent K1+ and one C4+ atom. In the third N3- site, N3- is bonded in a distorted single-bond geometry to two equivalent K1+ and one C4+ atom. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one K1+ and one O2- atom. The H–O bond length is 0.98 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a water-like geometry to one Pt4+ and one C4+ atom. In the second S2- site, S2- is bonded in a water-like geometry to one Pt4+ and one C4+ atom. In the third S2- site, S2- is bonded in a water-like geometry to one Pt4+ and one C4+ atom. O2- is bonded in a water-like geometry to three equivalent K1+ and two H1+ atoms.},
doi = {10.17188/1284941},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

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