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Title: Materials Data on K2PtC4(SN)4 by Materials Project

Abstract

K2PtC4(NS)4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. K1+ is bonded in a 6-coordinate geometry to three N3- and three S2- atoms. There are a spread of K–N bond distances ranging from 2.77–3.22 Å. There are a spread of K–S bond distances ranging from 3.27–3.67 Å. Pt2+ is bonded in a linear geometry to two equivalent N3- atoms. Both Pt–N bond lengths are 1.93 Å. There are two 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 1.19 Å. The C–S bond length is 1.63 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 1.22 Å. The C–S bond length is 1.58 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a 3-coordinate geometry to two equivalent K1+ and one C4+ atom. In the second N3- site, N3- is bonded in a 2-coordinate geometry to one K1+, one Pt2+, and one C4+ atom. There are two inequivalent S2- sites. In the first S2-more » site, S2- is bonded in a 2-coordinate geometry to two equivalent K1+ and one C4+ atom. In the second S2- site, S2- is bonded in a 2-coordinate geometry to one K1+ and one C4+ atom.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-616240
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; K2PtC4(SN)4; C-K-N-Pt-S
OSTI Identifier:
1277846
DOI:
10.17188/1277846

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on K2PtC4(SN)4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1277846.
Persson, Kristin, & Project, Materials. Materials Data on K2PtC4(SN)4 by Materials Project. United States. doi:10.17188/1277846.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on K2PtC4(SN)4 by Materials Project". United States. doi:10.17188/1277846. https://www.osti.gov/servlets/purl/1277846. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1277846,
title = {Materials Data on K2PtC4(SN)4 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {K2PtC4(NS)4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. K1+ is bonded in a 6-coordinate geometry to three N3- and three S2- atoms. There are a spread of K–N bond distances ranging from 2.77–3.22 Å. There are a spread of K–S bond distances ranging from 3.27–3.67 Å. Pt2+ is bonded in a linear geometry to two equivalent N3- atoms. Both Pt–N bond lengths are 1.93 Å. There are two 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 1.19 Å. The C–S bond length is 1.63 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 1.22 Å. The C–S bond length is 1.58 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a 3-coordinate geometry to two equivalent K1+ and one C4+ atom. In the second N3- site, N3- is bonded in a 2-coordinate geometry to one K1+, one Pt2+, and one C4+ atom. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 2-coordinate geometry to two equivalent K1+ and one C4+ atom. In the second S2- site, S2- is bonded in a 2-coordinate geometry to one K1+ and one C4+ atom.},
doi = {10.17188/1277846},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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