Materials Data on Sr4PdO6 by Materials Project

doi:10.17188/1204236

Title: Materials Data on Sr4PdO6 by Materials Project

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Abstract

Sr4PdO6 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. All Sr–O bond lengths are 2.48 Å. In the second Sr2+ site, Sr2+ is bonded in a 8-coordinate geometry to eight equivalent O2- atoms. There are a spread of Sr–O bond distances ranging from 2.62–2.78 Å. Pd4+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Pd–O bond lengths are 2.09 Å. O2- is bonded to five Sr2+ and one Pd4+ atom to form a mixture of distorted face, edge, and corner-sharing OSr5Pd octahedra. The corner-sharing octahedra tilt angles range from 0–63°.

Authors:: The Materials Project

Publication Date:: Tue Jul 14 00:00:00 EDT 2020

Other Number(s):: mp-29775

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; Sr4PdO6; O-Pd-Sr

OSTI Identifier:: 1204236

DOI:: https://doi.org/10.17188/1204236

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                    The Materials Project. Materials Data on Sr4PdO6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1204236.

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                    The Materials Project. Materials Data on Sr4PdO6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1204236

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                    The Materials Project. 2020.  
"Materials Data on Sr4PdO6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1204236.  https://www.osti.gov/servlets/purl/1204236. Pub date:Tue Jul 14 00:00:00 EDT 2020

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@article{osti_1204236,

  title        = {Materials Data on Sr4PdO6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Sr4PdO6 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. All Sr–O bond lengths are 2.48 Å. In the second Sr2+ site, Sr2+ is bonded in a 8-coordinate geometry to eight equivalent O2- atoms. There are a spread of Sr–O bond distances ranging from 2.62–2.78 Å. Pd4+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Pd–O bond lengths are 2.09 Å. O2- is bonded to five Sr2+ and one Pd4+ atom to form a mixture of distorted face, edge, and corner-sharing OSr5Pd octahedra. The corner-sharing octahedra tilt angles range from 0–63°.},

  doi          = {10.17188/1204236},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Tue Jul 14 00:00:00 EDT 2020},

  month        = {Tue Jul 14 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1204236

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