Materials Data on RePtN5Cl8O by Materials Project

doi:10.17188/1746881

Title: Materials Data on RePtN5Cl8O by Materials Project

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Abstract

ReCl6PtN3OClN2Cl crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four hexachlororhenium molecules, four N2Cl clusters, and four PtN3OCl clusters. In each N2Cl cluster, N+0.20+ is bonded in a single-bond geometry to one Cl1- atom. The N–Cl bond length is 1.54 Å. Cl1- is bonded in a water-like geometry to two equivalent N+0.20+ atoms. In each PtN3OCl cluster, Pt2+ is bonded in a 4-coordinate geometry to three N+0.20+ and one Cl1- atom. There is one shorter (1.86 Å) and two longer (2.00 Å) Pt–N bond length. The Pt–Cl bond length is 2.41 Å. There are two inequivalent N+0.20+ sites. In the first N+0.20+ site, N+0.20+ is bonded in a single-bond geometry to one Pt2+ atom. In the second N+0.20+ site, N+0.20+ is bonded in a single-bond geometry to one Pt2+ and one O2- atom. The N–O bond length is 1.35 Å. O2- is bonded in a water-like geometry to two equivalent N+0.20+ atoms. Cl1- is bonded in a single-bond geometry to one Pt2+ atom.

Authors:: The Materials Project

Publication Date:: Wed Apr 29 00:00:00 EDT 2020

Other Number(s):: mp-1199902

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; RePtN5Cl8O; Cl-N-O-Pt-Re

OSTI Identifier:: 1746881

DOI:: https://doi.org/10.17188/1746881

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                    The Materials Project. Materials Data on RePtN5Cl8O by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1746881.

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                    The Materials Project. Materials Data on RePtN5Cl8O by Materials Project.  United States.  doi:https://doi.org/10.17188/1746881

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                    The Materials Project. 2020.  
"Materials Data on RePtN5Cl8O by Materials Project".  United States.  doi:https://doi.org/10.17188/1746881.  https://www.osti.gov/servlets/purl/1746881. Pub date:Wed Apr 29 00:00:00 EDT 2020

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@article{osti_1746881,

  title        = {Materials Data on RePtN5Cl8O by Materials Project},

  author       = {The Materials Project},

  abstractNote = {ReCl6PtN3OClN2Cl crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four hexachlororhenium molecules, four N2Cl clusters, and four PtN3OCl clusters. In each N2Cl cluster, N+0.20+ is bonded in a single-bond geometry to one Cl1- atom. The N–Cl bond length is 1.54 Å. Cl1- is bonded in a water-like geometry to two equivalent N+0.20+ atoms. In each PtN3OCl cluster, Pt2+ is bonded in a 4-coordinate geometry to three N+0.20+ and one Cl1- atom. There is one shorter (1.86 Å) and two longer (2.00 Å) Pt–N bond length. The Pt–Cl bond length is 2.41 Å. There are two inequivalent N+0.20+ sites. In the first N+0.20+ site, N+0.20+ is bonded in a single-bond geometry to one Pt2+ atom. In the second N+0.20+ site, N+0.20+ is bonded in a single-bond geometry to one Pt2+ and one O2- atom. The N–O bond length is 1.35 Å. O2- is bonded in a water-like geometry to two equivalent N+0.20+ atoms. Cl1- is bonded in a single-bond geometry to one Pt2+ atom.},

  doi          = {10.17188/1746881},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Apr 29 00:00:00 EDT 2020},

  month        = {Wed Apr 29 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1746881

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