Materials Data on Tl2Pt2O7 by Materials Project

doi:10.17188/1189759

Title: Materials Data on Tl2Pt2O7 by Materials Project

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Abstract

Tl2Pt2O7 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Pt6+ is bonded to six equivalent O2- atoms to form corner-sharing PtO6 octahedra. The corner-sharing octahedral tilt angles are 51°. All Pt–O bond lengths are 2.02 Å. Tl1+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are two shorter (2.24 Å) and six longer (2.50 Å) Tl–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Pt6+ and two equivalent Tl1+ atoms to form a mixture of distorted corner and edge-sharing OTl2Pt2 tetrahedra. In the second O2- site, O2- is bonded to four equivalent Tl1+ atoms to form OTl4 tetrahedra that share corners with sixteen OTl4 tetrahedra and edges with six equivalent OTl2Pt2 tetrahedra.

Authors:: The Materials Project

Publication Date:: Thu May 11 00:00:00 EDT 2017

Other Number(s):: mp-13801

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; Tl2Pt2O7; O-Pt-Tl

OSTI Identifier:: 1189759

DOI:: https://doi.org/10.17188/1189759

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                    The Materials Project. Materials Data on Tl2Pt2O7 by Materials Project.  United States: N. p., 2017. 
        Web.  doi:10.17188/1189759.

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                    The Materials Project. Materials Data on Tl2Pt2O7 by Materials Project.  United States.  doi:https://doi.org/10.17188/1189759

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                    The Materials Project. 2017.  
"Materials Data on Tl2Pt2O7 by Materials Project".  United States.  doi:https://doi.org/10.17188/1189759.  https://www.osti.gov/servlets/purl/1189759. Pub date:Thu May 11 00:00:00 EDT 2017

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@article{osti_1189759,

  title        = {Materials Data on Tl2Pt2O7 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Tl2Pt2O7 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Pt6+ is bonded to six equivalent O2- atoms to form corner-sharing PtO6 octahedra. The corner-sharing octahedral tilt angles are 51°. All Pt–O bond lengths are 2.02 Å. Tl1+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are two shorter (2.24 Å) and six longer (2.50 Å) Tl–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Pt6+ and two equivalent Tl1+ atoms to form a mixture of distorted corner and edge-sharing OTl2Pt2 tetrahedra. In the second O2- site, O2- is bonded to four equivalent Tl1+ atoms to form OTl4 tetrahedra that share corners with sixteen OTl4 tetrahedra and edges with six equivalent OTl2Pt2 tetrahedra.},

  doi          = {10.17188/1189759},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu May 11 00:00:00 EDT 2017},

  month        = {Thu May 11 00:00:00 EDT 2017}

}

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DOI: https://doi.org/10.17188/1189759

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