Materials Data on Ba4Pd3BrO6 by Materials Project

doi:10.17188/1738604

Title: Materials Data on Ba4Pd3BrO6 by Materials Project

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Abstract

Ba4Pd3O6Br crystallizes in the cubic Im-3m space group. The structure is three-dimensional. Ba is bonded to six equivalent O and two equivalent Br atoms to form a mixture of corner and face-sharing BaBr2O6 hexagonal bipyramids. All Ba–O bond lengths are 2.90 Å. Both Ba–Br bond lengths are 3.55 Å. Pd is bonded in a square co-planar geometry to four equivalent O atoms. All Pd–O bond lengths are 2.05 Å. O is bonded to four equivalent Ba and two equivalent Pd atoms to form a mixture of corner and face-sharing OBa4Pd2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°. Br is bonded in a body-centered cubic geometry to eight equivalent Ba atoms.

Authors:: The Materials Project

Publication Date:: Sat May 02 00:00:00 EDT 2020

Other Number(s):: mp-1147711

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; Ba4Pd3BrO6; Ba-Br-O-Pd

OSTI Identifier:: 1738604

DOI:: https://doi.org/10.17188/1738604

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                    The Materials Project. Materials Data on Ba4Pd3BrO6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1738604.

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                    The Materials Project. Materials Data on Ba4Pd3BrO6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1738604

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                    The Materials Project. 2020.  
"Materials Data on Ba4Pd3BrO6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1738604.  https://www.osti.gov/servlets/purl/1738604. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1738604,

  title        = {Materials Data on Ba4Pd3BrO6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ba4Pd3O6Br crystallizes in the cubic Im-3m space group. The structure is three-dimensional. Ba is bonded to six equivalent O and two equivalent Br atoms to form a mixture of corner and face-sharing BaBr2O6 hexagonal bipyramids. All Ba–O bond lengths are 2.90 Å. Both Ba–Br bond lengths are 3.55 Å. Pd is bonded in a square co-planar geometry to four equivalent O atoms. All Pd–O bond lengths are 2.05 Å. O is bonded to four equivalent Ba and two equivalent Pd atoms to form a mixture of corner and face-sharing OBa4Pd2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°. Br is bonded in a body-centered cubic geometry to eight equivalent Ba atoms.},

  doi          = {10.17188/1738604},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat May 02 00:00:00 EDT 2020},

  month        = {Sat May 02 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1738604

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