Materials Data on PtC2(ClO)2 by Materials Project

doi:10.17188/1272833

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

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Abstract

Pt(CO)2Cl2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four Pt(CO)2Cl2 clusters. Pt2- is bonded in a rectangular see-saw-like geometry to two C4+ and two Cl1- atoms. Both Pt–C bond lengths are 1.90 Å. There are one shorter (2.32 Å) and one longer (2.34 Å) Pt–Cl bond lengths. There are two inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a distorted linear geometry to one Pt2- and one O2- atom. The C–O bond length is 1.14 Å. In the second C4+ site, C4+ is bonded in a linear geometry to one Pt2- and one O2- atom. The C–O bond length is 1.15 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one C4+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one C4+ atom. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Pt2- atom. In the second Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Pt2- atom.

Publication Date:: 2020-07-20

Other Number(s):: mp-618423

DOE Contract Number:: AC02-05CH11231

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; C-Cl-O-Pt; PtC2(ClO)2; crystal structure

OSTI Identifier:: 1272833

DOI:: https://doi.org/10.17188/1272833

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                    Materials Data on PtC2(ClO)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1272833.

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                    Materials Data on PtC2(ClO)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1272833

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                    2020.  
"Materials Data on PtC2(ClO)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1272833.  https://www.osti.gov/servlets/purl/1272833. Pub date:Mon Jul 20 00:00:00 EDT 2020

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@article{osti_1272833,

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

  
  abstractNote = {Pt(CO)2Cl2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four Pt(CO)2Cl2 clusters. Pt2- is bonded in a rectangular see-saw-like geometry to two C4+ and two Cl1- atoms. Both Pt–C bond lengths are 1.90 Å. There are one shorter (2.32 Å) and one longer (2.34 Å) Pt–Cl bond lengths. There are two inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a distorted linear geometry to one Pt2- and one O2- atom. The C–O bond length is 1.14 Å. In the second C4+ site, C4+ is bonded in a linear geometry to one Pt2- and one O2- atom. The C–O bond length is 1.15 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one C4+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one C4+ atom. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Pt2- atom. In the second Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Pt2- atom.},

  doi          = {10.17188/1272833},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1272833

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