Materials Data on Bi2Pd3PtO8 by Materials Project

doi:10.17188/1655611

Title: Materials Data on Bi2Pd3PtO8 by Materials Project

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Abstract

PtPd3Bi2O8 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Pt4+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of Pt–O bond distances ranging from 2.09–2.25 Å. There are three inequivalent Pd2+ sites. In the first Pd2+ site, Pd2+ is bonded in a linear geometry to two equivalent O2- atoms. Both Pd–O bond lengths are 1.26 Å. In the second Pd2+ site, Pd2+ is bonded in a linear geometry to two equivalent O2- atoms. Both Pd–O bond lengths are 1.65 Å. In the third Pd2+ site, Pd2+ is bonded in a square co-planar geometry to four O2- atoms. There are two shorter (1.97 Å) and two longer (2.31 Å) Pd–O bond lengths. Bi3+ is bonded in a 2-coordinate geometry to three O2- atoms. There are a spread of Bi–O bond distances ranging from 1.91–2.75 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted T-shaped geometry to two Pd2+ and one Bi3+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to one Pt4+, one Pd2+, and one O2- atom. The O–O bond length is 1.56 Å. In the thirdmore »« less

Authors:: The Materials Project

Publication Date:: 2019-01-13

Other Number(s):: mp-1227497

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; Bi2Pd3PtO8; Bi-O-Pd-Pt

OSTI Identifier:: 1655611

DOI:: https://doi.org/10.17188/1655611

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                    The Materials Project. Materials Data on Bi2Pd3PtO8 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1655611.

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                    The Materials Project. Materials Data on Bi2Pd3PtO8 by Materials Project.  United States.  doi:https://doi.org/10.17188/1655611

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                    The Materials Project. 2019.  
"Materials Data on Bi2Pd3PtO8 by Materials Project".  United States.  doi:https://doi.org/10.17188/1655611.  https://www.osti.gov/servlets/purl/1655611. Pub date:Sun Jan 13 00:00:00 EST 2019

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@article{osti_1655611,

  title        = {Materials Data on Bi2Pd3PtO8 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {PtPd3Bi2O8 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Pt4+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of Pt–O bond distances ranging from 2.09–2.25 Å. There are three inequivalent Pd2+ sites. In the first Pd2+ site, Pd2+ is bonded in a linear geometry to two equivalent O2- atoms. Both Pd–O bond lengths are 1.26 Å. In the second Pd2+ site, Pd2+ is bonded in a linear geometry to two equivalent O2- atoms. Both Pd–O bond lengths are 1.65 Å. In the third Pd2+ site, Pd2+ is bonded in a square co-planar geometry to four O2- atoms. There are two shorter (1.97 Å) and two longer (2.31 Å) Pd–O bond lengths. Bi3+ is bonded in a 2-coordinate geometry to three O2- atoms. There are a spread of Bi–O bond distances ranging from 1.91–2.75 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted T-shaped geometry to two Pd2+ and one Bi3+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to one Pt4+, one Pd2+, and one O2- atom. The O–O bond length is 1.56 Å. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one Pt4+, one Bi3+, and one O2- atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to one Pt4+, one Pd2+, and one Bi3+ atom.},

  doi          = {10.17188/1655611},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

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DOI: https://doi.org/10.17188/1655611

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