Materials Data on H8PtN2(ClO)2 by Materials Project

doi:10.17188/1287426

Title: Materials Data on H8PtN2(ClO)2 by Materials Project

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Abstract

PtN2H8(OCl)2 crystallizes in the monoclinic P2_1/m space group. The structure is zero-dimensional and consists of two azane;dichloroplatinum(2+);dihydrate molecules. Pt4+ is bonded in an octahedral geometry to two equivalent N3-, two O2-, and two Cl1- atoms. Both Pt–N bond lengths are 2.07 Å. There are one shorter (2.02 Å) and one longer (2.03 Å) Pt–O bond lengths. Both Pt–Cl bond lengths are 2.36 Å. N3- 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. There are five inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the third H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. There are two inequivalent O2- sites. Inmore »« less

Authors:: The Materials Project

Publication Date:: Fri Jul 24 00:00:00 EDT 2020

Other Number(s):: mp-722189

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; H8PtN2(ClO)2; Cl-H-N-O-Pt

OSTI Identifier:: 1287426

DOI:: https://doi.org/10.17188/1287426

Citation Formats


                    The Materials Project. Materials Data on H8PtN2(ClO)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1287426.

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                    The Materials Project. Materials Data on H8PtN2(ClO)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1287426

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                    The Materials Project. 2020.  
"Materials Data on H8PtN2(ClO)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1287426.  https://www.osti.gov/servlets/purl/1287426. Pub date:Fri Jul 24 00:00:00 EDT 2020

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@article{osti_1287426,

  title        = {Materials Data on H8PtN2(ClO)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {PtN2H8(OCl)2 crystallizes in the monoclinic P2_1/m space group. The structure is zero-dimensional and consists of two azane;dichloroplatinum(2+);dihydrate molecules. Pt4+ is bonded in an octahedral geometry to two equivalent N3-, two O2-, and two Cl1- atoms. Both Pt–N bond lengths are 2.07 Å. There are one shorter (2.02 Å) and one longer (2.03 Å) Pt–O bond lengths. Both Pt–Cl bond lengths are 2.36 Å. N3- 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. There are five inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the third H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one Pt4+ and one H1+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Pt4+ and one H1+ atom. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Pt4+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Pt4+ atom.},

  doi          = {10.17188/1287426},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Fri Jul 24 00:00:00 EDT 2020},

  month        = {Fri Jul 24 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1287426

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