Materials Data on K2PtC4(SN)4 by Materials Project

doi:10.17188/1277846

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

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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 »« less

Authors:: The Materials Project

Publication Date:: Mon Jul 20 00:00:00 EDT 2020

Other Number(s):: mp-616240

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; K2PtC4(SN)4; C-K-N-Pt-S

OSTI Identifier:: 1277846

DOI:: https://doi.org/10.17188/1277846

Citation Formats


                    The Materials Project. Materials Data on K2PtC4(SN)4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1277846.

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                    The Materials Project. Materials Data on K2PtC4(SN)4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1277846

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                    The Materials Project. 2020.  
"Materials Data on K2PtC4(SN)4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1277846.  https://www.osti.gov/servlets/purl/1277846. Pub date:Mon Jul 20 00:00:00 EDT 2020

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@article{osti_1277846,

  title        = {Materials Data on K2PtC4(SN)4 by Materials Project},

  author       = {The Materials Project},

  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         = {Mon Jul 20 00:00:00 EDT 2020},

  month        = {Mon Jul 20 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1277846

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