Materials Data on Na2H4PtC4Br2(N2O)2 by Materials Project

doi:10.17188/1286154

Title: Materials Data on Na2H4PtC4Br2(N2O)2 by Materials Project

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Abstract

Na2PtC4H4Br2(N2O)2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Na1+ is bonded to four N3- and two equivalent O2- atoms to form distorted face-sharing NaN4O2 octahedra. There are a spread of Na–N bond distances ranging from 2.52–2.72 Å. There are one shorter (2.42 Å) and one longer (2.44 Å) Na–O bond lengths. Pt2- is bonded in an octahedral geometry to four C+3.50+ and two Br1- atoms. All Pt–C bond lengths are 2.02 Å. There are one shorter (2.52 Å) and one longer (2.53 Å) Pt–Br bond lengths. There are two inequivalent C+3.50+ sites. In the first C+3.50+ site, C+3.50+ is bonded in a linear geometry to one Pt2- and one N3- atom. The C–N bond length is 1.17 Å. In the second C+3.50+ site, C+3.50+ is bonded in a linear geometry to one Pt2- and one N3- atom. The C–N bond length is 1.17 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a 1-coordinate geometry to two equivalent Na1+ and one C+3.50+ atom. In the second N3- site, N3- is bonded in a 1-coordinate geometry to two equivalent Na1+ and one C+3.50+ atom. There are two inequivalent H1+ sites.more »« less

Authors:: The Materials Project

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

Other Number(s):: mp-706285

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; Na2H4PtC4Br2(N2O)2; Br-C-H-N-Na-O-Pt

OSTI Identifier:: 1286154

DOI:: https://doi.org/10.17188/1286154

Citation Formats


                    The Materials Project. Materials Data on Na2H4PtC4Br2(N2O)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1286154.

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                    The Materials Project. Materials Data on Na2H4PtC4Br2(N2O)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1286154

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                    The Materials Project. 2020.  
"Materials Data on Na2H4PtC4Br2(N2O)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1286154.  https://www.osti.gov/servlets/purl/1286154. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1286154,

  title        = {Materials Data on Na2H4PtC4Br2(N2O)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Na2PtC4H4Br2(N2O)2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Na1+ is bonded to four N3- and two equivalent O2- atoms to form distorted face-sharing NaN4O2 octahedra. There are a spread of Na–N bond distances ranging from 2.52–2.72 Å. There are one shorter (2.42 Å) and one longer (2.44 Å) Na–O bond lengths. Pt2- is bonded in an octahedral geometry to four C+3.50+ and two Br1- atoms. All Pt–C bond lengths are 2.02 Å. There are one shorter (2.52 Å) and one longer (2.53 Å) Pt–Br bond lengths. There are two inequivalent C+3.50+ sites. In the first C+3.50+ site, C+3.50+ is bonded in a linear geometry to one Pt2- and one N3- atom. The C–N bond length is 1.17 Å. In the second C+3.50+ site, C+3.50+ is bonded in a linear geometry to one Pt2- and one N3- atom. The C–N bond length is 1.17 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a 1-coordinate geometry to two equivalent Na1+ and one C+3.50+ atom. In the second N3- site, N3- is bonded in a 1-coordinate geometry to two equivalent Na1+ and one C+3.50+ atom. There are two 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 0.98 Å. O2- is bonded in a distorted water-like geometry to two equivalent Na1+ and two H1+ atoms. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a single-bond geometry to one Pt2- atom. In the second Br1- site, Br1- is bonded in a single-bond geometry to one Pt2- atom.},

  doi          = {10.17188/1286154},

  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/10.17188/1286154

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