Materials Data on H12PtN6(ClO3)2 by Materials Project

doi:10.17188/1287517

Title: Materials Data on H12PtN6(ClO3)2 by Materials Project

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Abstract

Pt(NH3)4Cl2(NO3)2 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two nitric acid molecules and one Pt(NH3)4Cl2 cluster. In the Pt(NH3)4Cl2 cluster, Pt4+ is bonded in an octahedral geometry to four N+0.33- and two equivalent Cl1- atoms. There are two shorter (2.07 Å) and two longer (2.08 Å) Pt–N bond lengths. Both Pt–Cl bond lengths are 2.34 Å. There are two inequivalent N+0.33- sites. In the first N+0.33- site, N+0.33- is bonded in a distorted trigonal non-coplanar geometry to one Pt4+ and three H1+ atoms. There is one shorter (1.03 Å) and two longer (1.04 Å) N–H bond length. In the second N+0.33- site, N+0.33- is bonded in a distorted trigonal non-coplanar geometry to one Pt4+ and three H1+ atoms. There is two shorter (1.03 Å) and one longer (1.04 Å) N–H bond length. There are six inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one N+0.33- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one N+0.33- atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one N+0.33- atom. In the fourth H1+ site, H1+ ismore »« less

Publication Date:: Tue Jul 14 04:00:00 UTC 2020

Other Number(s):: mp-722864

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; Cl-H-N-O-Pt; H12PtN6(ClO3)2; crystal structure

OSTI Identifier:: 1287517

DOI:: https://doi.org/10.17188/1287517

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                    Materials Data on H12PtN6(ClO3)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1287517.

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                    Materials Data on H12PtN6(ClO3)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1287517

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                    2020.  
"Materials Data on H12PtN6(ClO3)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1287517.  https://www.osti.gov/servlets/purl/1287517. Pub date:Tue Jul 14 04:00:00 UTC 2020

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@article{osti_1287517,

  title        = {Materials Data on H12PtN6(ClO3)2 by Materials Project},

  
  abstractNote = {Pt(NH3)4Cl2(NO3)2 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two nitric acid molecules and one Pt(NH3)4Cl2 cluster. In the Pt(NH3)4Cl2 cluster, Pt4+ is bonded in an octahedral geometry to four N+0.33- and two equivalent Cl1- atoms. There are two shorter (2.07 Å) and two longer (2.08 Å) Pt–N bond lengths. Both Pt–Cl bond lengths are 2.34 Å. There are two inequivalent N+0.33- sites. In the first N+0.33- site, N+0.33- is bonded in a distorted trigonal non-coplanar geometry to one Pt4+ and three H1+ atoms. There is one shorter (1.03 Å) and two longer (1.04 Å) N–H bond length. In the second N+0.33- site, N+0.33- is bonded in a distorted trigonal non-coplanar geometry to one Pt4+ and three H1+ atoms. There is two shorter (1.03 Å) and one longer (1.04 Å) N–H bond length. There are six inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one N+0.33- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one N+0.33- atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one N+0.33- atom. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one N+0.33- atom. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one N+0.33- atom. In the sixth H1+ site, H1+ is bonded in a single-bond geometry to one N+0.33- atom. Cl1- is bonded in a single-bond geometry to one Pt4+ atom.},

  doi          = {10.17188/1287517},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Tue Jul 14 04:00:00 UTC 2020},

  month        = {Tue Jul 14 04:00:00 UTC 2020}

}

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DOI: https://doi.org/10.17188/1287517

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