Materials Data on Na2Pt(ClO)6 by Materials Project

doi:10.17188/1676520

Title: Materials Data on Na2Pt(ClO)6 by Materials Project

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Abstract

Na2Pt(OCl)6 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one Na2Pt(OCl)6 sheet oriented in the (-1, 1, 1) direction. Na is bonded in a 5-coordinate geometry to four O and one Cl atom. There are a spread of Na–O bond distances ranging from 2.30–2.99 Å. The Na–Cl bond length is 2.91 Å. Pt is bonded in an octahedral geometry to six Cl atoms. There are four shorter (2.35 Å) and two longer (2.41 Å) Pt–Cl bond lengths. There are three inequivalent O sites. In the first O site, O is bonded in a distorted trigonal planar geometry to two equivalent Na and one Cl atom. The O–Cl bond length is 1.59 Å. In the second O site, O is bonded in a bent 150 degrees geometry to one Na and one O atom. The O–O bond length is 1.23 Å. In the third O site, O is bonded in a bent 120 degrees geometry to one Na and one O atom. There are three inequivalent Cl sites. In the first Cl site, Cl is bonded in a bent 120 degrees geometry to one Pt and one O atom. In the second Cl site, Clmore »« less

Publication Date:: 2020-05-02

Other Number(s):: mp-1180244

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-Na-O-Pt; Na2Pt(ClO)6; crystal structure

OSTI Identifier:: 1676520

DOI:: https://doi.org/10.17188/1676520

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                    Materials Data on Na2Pt(ClO)6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1676520.

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                    Materials Data on Na2Pt(ClO)6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1676520

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                    2020.  
"Materials Data on Na2Pt(ClO)6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1676520.  https://www.osti.gov/servlets/purl/1676520. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1676520,

  title        = {Materials Data on Na2Pt(ClO)6 by Materials Project},

  
  abstractNote = {Na2Pt(OCl)6 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one Na2Pt(OCl)6 sheet oriented in the (-1, 1, 1) direction. Na is bonded in a 5-coordinate geometry to four O and one Cl atom. There are a spread of Na–O bond distances ranging from 2.30–2.99 Å. The Na–Cl bond length is 2.91 Å. Pt is bonded in an octahedral geometry to six Cl atoms. There are four shorter (2.35 Å) and two longer (2.41 Å) Pt–Cl bond lengths. There are three inequivalent O sites. In the first O site, O is bonded in a distorted trigonal planar geometry to two equivalent Na and one Cl atom. The O–Cl bond length is 1.59 Å. In the second O site, O is bonded in a bent 150 degrees geometry to one Na and one O atom. The O–O bond length is 1.23 Å. In the third O site, O is bonded in a bent 120 degrees geometry to one Na and one O atom. There are three inequivalent Cl sites. In the first Cl site, Cl is bonded in a bent 120 degrees geometry to one Pt and one O atom. In the second Cl site, Cl is bonded in a water-like geometry to one Na and one Pt atom. In the third Cl site, Cl is bonded in a single-bond geometry to one Pt atom.},

  doi          = {10.17188/1676520},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1676520

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