Materials Data on PtC4(NCl3)2 by Materials Project

doi:10.17188/1683722

Title: Materials Data on PtC4(NCl3)2 by Materials Project

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Abstract

PtC4(NCl3)2 crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two PtC4(NCl3)2 ribbons oriented in the (1, 0, 0) direction. Pt2- is bonded in an octahedral geometry to six Cl1- atoms. All Pt–Cl bond lengths are 2.35 Å. C+3.50+ is bonded in a distorted single-bond geometry to one N3- and two equivalent Cl1- atoms. The C–N bond length is 1.25 Å. Both C–Cl bond lengths are 2.61 Å. N3- is bonded in a linear geometry to two equivalent C+3.50+ atoms. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted trigonal non-coplanar geometry to one Pt2- and two equivalent C+3.50+ atoms. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Pt2- atom.

Authors:: The Materials Project

Publication Date:: Sat May 02 00:00:00 EDT 2020

Other Number(s):: mp-1103760

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; PtC4(NCl3)2; C-Cl-N-Pt

OSTI Identifier:: 1683722

DOI:: https://doi.org/10.17188/1683722

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                    The Materials Project. Materials Data on PtC4(NCl3)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1683722.

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                    The Materials Project. Materials Data on PtC4(NCl3)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1683722

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                    The Materials Project. 2020.  
"Materials Data on PtC4(NCl3)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1683722.  https://www.osti.gov/servlets/purl/1683722. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1683722,

  title        = {Materials Data on PtC4(NCl3)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {PtC4(NCl3)2 crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two PtC4(NCl3)2 ribbons oriented in the (1, 0, 0) direction. Pt2- is bonded in an octahedral geometry to six Cl1- atoms. All Pt–Cl bond lengths are 2.35 Å. C+3.50+ is bonded in a distorted single-bond geometry to one N3- and two equivalent Cl1- atoms. The C–N bond length is 1.25 Å. Both C–Cl bond lengths are 2.61 Å. N3- is bonded in a linear geometry to two equivalent C+3.50+ atoms. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted trigonal non-coplanar geometry to one Pt2- and two equivalent C+3.50+ atoms. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Pt2- atom.},

  doi          = {10.17188/1683722},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat May 02 00:00:00 EDT 2020},

  month        = {Sat May 02 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1683722

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