Materials Data on Cd(Pt3O4)3 by Materials Project

doi:10.17188/1709754

Title: Materials Data on Cd(Pt3O4)3 by Materials Project

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Abstract

Cd(Pt3O4)3 crystallizes in the orthorhombic Pmmm space group. The structure is three-dimensional. there are seven inequivalent Pt+2.44+ sites. In the first Pt+2.44+ site, Pt+2.44+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Pt–O bond lengths are 2.04 Å. In the second Pt+2.44+ site, Pt+2.44+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Pt–O bond lengths are 2.04 Å. In the third Pt+2.44+ site, Pt+2.44+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Pt–O bond lengths are 2.02 Å. In the fourth Pt+2.44+ site, Pt+2.44+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There are two shorter (2.01 Å) and two longer (2.05 Å) Pt–O bond lengths. In the fifth Pt+2.44+ site, Pt+2.44+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Pt–O bond lengths are 2.04 Å. In the sixth Pt+2.44+ site, Pt+2.44+ is bonded in a square co-planar geometry to four O2- atoms. All Pt–O bond lengths are 2.04 Å. In the seventh Pt+2.44+ site, Pt+2.44+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Pt–O bond lengths are 2.01 Å. Cd2+ ismore »« less

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1227215

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; Cd(Pt3O4)3; Cd-O-Pt

OSTI Identifier:: 1709754

DOI:: https://doi.org/10.17188/1709754

Citation Formats


                    The Materials Project. Materials Data on Cd(Pt3O4)3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1709754.

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                    The Materials Project. Materials Data on Cd(Pt3O4)3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1709754

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                    The Materials Project. 2020.  
"Materials Data on Cd(Pt3O4)3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1709754.  https://www.osti.gov/servlets/purl/1709754. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1709754,

  title        = {Materials Data on Cd(Pt3O4)3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Cd(Pt3O4)3 crystallizes in the orthorhombic Pmmm space group. The structure is three-dimensional. there are seven inequivalent Pt+2.44+ sites. In the first Pt+2.44+ site, Pt+2.44+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Pt–O bond lengths are 2.04 Å. In the second Pt+2.44+ site, Pt+2.44+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Pt–O bond lengths are 2.04 Å. In the third Pt+2.44+ site, Pt+2.44+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Pt–O bond lengths are 2.02 Å. In the fourth Pt+2.44+ site, Pt+2.44+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There are two shorter (2.01 Å) and two longer (2.05 Å) Pt–O bond lengths. In the fifth Pt+2.44+ site, Pt+2.44+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Pt–O bond lengths are 2.04 Å. In the sixth Pt+2.44+ site, Pt+2.44+ is bonded in a square co-planar geometry to four O2- atoms. All Pt–O bond lengths are 2.04 Å. In the seventh Pt+2.44+ site, Pt+2.44+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Pt–O bond lengths are 2.01 Å. Cd2+ is bonded in a body-centered cubic geometry to eight O2- atoms. All Cd–O bond lengths are 2.40 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to three Pt+2.44+ and one Cd2+ atom to form a mixture of edge and corner-sharing OCdPt3 trigonal pyramids. In the second O2- site, O2- is bonded to three Pt+2.44+ and one Cd2+ atom to form a mixture of edge and corner-sharing OCdPt3 trigonal pyramids. In the third O2- site, O2- is bonded in a trigonal planar geometry to three Pt+2.44+ atoms.},

  doi          = {10.17188/1709754},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1709754

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