Materials Data on Pt5(N9Cl5)2 by Materials Project

doi:10.17188/1719891

Title: Materials Data on Pt5(N9Cl5)2 by Materials Project

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Abstract

Pt3(N5Cl)2(Pt(NCl)4)2 crystallizes in the tetragonal P4_2/nmc space group. The structure is two-dimensional and consists of four Pt(NCl)4 clusters and two Pt3(N5Cl)2 sheets oriented in the (0, 0, 1) direction. In each Pt(NCl)4 cluster, Pt+4.80+ is bonded in a tetrahedral geometry to four N+0.78- atoms. There is two shorter (1.75 Å) and two longer (2.22 Å) Pt–N bond length. There are two inequivalent N+0.78- sites. In the first N+0.78- site, N+0.78- is bonded in a single-bond geometry to one Pt+4.80+ atom. In the second N+0.78- site, N+0.78- is bonded in a trigonal non-coplanar geometry to one Pt+4.80+ and two equivalent Cl1- atoms. Both N–Cl bond lengths are 1.73 Å. Cl1- is bonded in a single-bond geometry to one N+0.78- atom. In each Pt3(N5Cl)2 sheet, there are two inequivalent Pt+4.80+ sites. In the first Pt+4.80+ site, Pt+4.80+ is bonded in a square co-planar geometry to four equivalent N+0.78- atoms. All Pt–N bond lengths are 1.94 Å. In the second Pt+4.80+ site, Pt+4.80+ is bonded in a distorted octahedral geometry to five N+0.78- and one Cl1- atom. There are a spread of Pt–N bond distances ranging from 1.84–2.04 Å. The Pt–Cl bond length is 2.51 Å. There are three inequivalent N+0.78- sites. Inmore »« less

Publication Date:: 2019-01-11

Other Number(s):: mp-1180051

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-N-Pt; Pt5(N9Cl5)2; crystal structure

OSTI Identifier:: 1719891

DOI:: https://doi.org/10.17188/1719891

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                    Materials Data on Pt5(N9Cl5)2 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1719891.

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                    Materials Data on Pt5(N9Cl5)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1719891

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                    2019.  
"Materials Data on Pt5(N9Cl5)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1719891.  https://www.osti.gov/servlets/purl/1719891. Pub date:Fri Jan 11 23:00:00 EST 2019

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@article{osti_1719891,

  title        = {Materials Data on Pt5(N9Cl5)2 by Materials Project},

  
  abstractNote = {Pt3(N5Cl)2(Pt(NCl)4)2 crystallizes in the tetragonal P4_2/nmc space group. The structure is two-dimensional and consists of four Pt(NCl)4 clusters and two Pt3(N5Cl)2 sheets oriented in the (0, 0, 1) direction. In each Pt(NCl)4 cluster, Pt+4.80+ is bonded in a tetrahedral geometry to four N+0.78- atoms. There is two shorter (1.75 Å) and two longer (2.22 Å) Pt–N bond length. There are two inequivalent N+0.78- sites. In the first N+0.78- site, N+0.78- is bonded in a single-bond geometry to one Pt+4.80+ atom. In the second N+0.78- site, N+0.78- is bonded in a trigonal non-coplanar geometry to one Pt+4.80+ and two equivalent Cl1- atoms. Both N–Cl bond lengths are 1.73 Å. Cl1- is bonded in a single-bond geometry to one N+0.78- atom. In each Pt3(N5Cl)2 sheet, there are two inequivalent Pt+4.80+ sites. In the first Pt+4.80+ site, Pt+4.80+ is bonded in a square co-planar geometry to four equivalent N+0.78- atoms. All Pt–N bond lengths are 1.94 Å. In the second Pt+4.80+ site, Pt+4.80+ is bonded in a distorted octahedral geometry to five N+0.78- and one Cl1- atom. There are a spread of Pt–N bond distances ranging from 1.84–2.04 Å. The Pt–Cl bond length is 2.51 Å. There are three inequivalent N+0.78- sites. In the first N+0.78- site, N+0.78- is bonded in a single-bond geometry to one Pt+4.80+ atom. In the second N+0.78- site, N+0.78- is bonded in a linear geometry to two Pt+4.80+ atoms. In the third N+0.78- site, N+0.78- is bonded in a single-bond geometry to one Pt+4.80+ atom. Cl1- is bonded in a 1-coordinate geometry to one Pt+4.80+ atom.},

  doi          = {10.17188/1719891},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

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DOI: https://doi.org/10.17188/1719891

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