Materials Data on CaH6PtO6 by Materials Project

doi:10.17188/1734186

Title: Materials Data on CaH6PtO6 by Materials Project

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Abstract

CaPt(OH)6 crystallizes in the trigonal P-31c space group. The structure is three-dimensional. Ca2+ is bonded to six equivalent O2- atoms to form distorted CaO6 octahedra that share corners with six equivalent PtO6 octahedra. The corner-sharing octahedral tilt angles are 25°. All Ca–O bond lengths are 2.39 Å. Pt4+ is bonded to six equivalent O2- atoms to form PtO6 octahedra that share corners with six equivalent CaO6 octahedra. The corner-sharing octahedral tilt angles are 25°. All Pt–O bond lengths are 2.04 Å. 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 single-bond geometry to one Ca2+, one Pt4+, and one H1+ atom.

Publication Date:: 2020-05-02

Other Number(s):: mp-1213994

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; Ca-H-O-Pt; CaH6PtO6; crystal structure

OSTI Identifier:: 1734186

DOI:: https://doi.org/10.17188/1734186

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                    Materials Data on CaH6PtO6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1734186.

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                    Materials Data on CaH6PtO6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1734186

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                    2020.  
"Materials Data on CaH6PtO6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1734186.  https://www.osti.gov/servlets/purl/1734186. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1734186,

  title        = {Materials Data on CaH6PtO6 by Materials Project},

  
  abstractNote = {CaPt(OH)6 crystallizes in the trigonal P-31c space group. The structure is three-dimensional. Ca2+ is bonded to six equivalent O2- atoms to form distorted CaO6 octahedra that share corners with six equivalent PtO6 octahedra. The corner-sharing octahedral tilt angles are 25°. All Ca–O bond lengths are 2.39 Å. Pt4+ is bonded to six equivalent O2- atoms to form PtO6 octahedra that share corners with six equivalent CaO6 octahedra. The corner-sharing octahedral tilt angles are 25°. All Pt–O bond lengths are 2.04 Å. 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 single-bond geometry to one Ca2+, one Pt4+, and one H1+ atom.},

  doi          = {10.17188/1734186},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1734186

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