Materials Data on PtC2(NO2)2 by Materials Project

doi:10.17188/1677404

Title: Materials Data on PtC2(NO2)2 by Materials Project

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Abstract

PtC2(NO2)2 crystallizes in the monoclinic P2_1/m space group. The structure is zero-dimensional and consists of two 41349-15-9 molecules. Pt6+ is bonded in a rectangular see-saw-like geometry to two equivalent N3- and two equivalent O2- atoms. Both Pt–N bond lengths are 1.79 Å. Both Pt–O bond lengths are 2.10 Å. C4+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.23 Å) and one longer (1.31 Å) C–O bond length. N3- is bonded in a distorted single-bond geometry to one Pt6+ atom. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Pt6+ and one C4+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one C4+ atom.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1209601

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; PtC2(NO2)2; C-N-O-Pt

OSTI Identifier:: 1677404

DOI:: https://doi.org/10.17188/1677404

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                    The Materials Project. Materials Data on PtC2(NO2)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1677404.

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                    The Materials Project. Materials Data on PtC2(NO2)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1677404

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                    The Materials Project. 2020.  
"Materials Data on PtC2(NO2)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1677404.  https://www.osti.gov/servlets/purl/1677404. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1677404,

  title        = {Materials Data on PtC2(NO2)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {PtC2(NO2)2 crystallizes in the monoclinic P2_1/m space group. The structure is zero-dimensional and consists of two 41349-15-9 molecules. Pt6+ is bonded in a rectangular see-saw-like geometry to two equivalent N3- and two equivalent O2- atoms. Both Pt–N bond lengths are 1.79 Å. Both Pt–O bond lengths are 2.10 Å. C4+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.23 Å) and one longer (1.31 Å) C–O bond length. N3- is bonded in a distorted single-bond geometry to one Pt6+ atom. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Pt6+ and one C4+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one C4+ atom.},

  doi          = {10.17188/1677404},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1677404

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