Materials Data on Bi(PdO2)2 by Materials Project

doi:10.17188/1750798

Title: Materials Data on Bi(PdO2)2 by Materials Project

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Abstract

BiPd2O4 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are four inequivalent Pd3+ sites. In the first Pd3+ site, Pd3+ is bonded in a square co-planar geometry to four O2- atoms. There are two shorter (1.94 Å) and two longer (2.29 Å) Pd–O bond lengths. In the second Pd3+ site, Pd3+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of Pd–O bond distances ranging from 2.11–2.25 Å. In the third Pd3+ site, Pd3+ is bonded in a linear geometry to two equivalent O2- atoms. Both Pd–O bond lengths are 1.24 Å. In the fourth Pd3+ site, Pd3+ is bonded in a linear geometry to two equivalent O2- atoms. Both Pd–O bond lengths are 1.66 Å. Bi2+ is bonded in a 2-coordinate geometry to three O2- atoms. There are a spread of Bi–O bond distances ranging from 1.95–2.77 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted T-shaped geometry to two Pd3+ and one Bi2+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two Pd3+ and one Bi2+ atom. In the third O2- site, O2-more »« less

Authors:: The Materials Project

Publication Date:: Wed Jul 18 00:00:00 EDT 2018

Other Number(s):: mp-1104660

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; Bi(PdO2)2; Bi-O-Pd

OSTI Identifier:: 1750798

DOI:: https://doi.org/10.17188/1750798

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                    The Materials Project. Materials Data on Bi(PdO2)2 by Materials Project.  United States: N. p., 2018. 
        Web.  doi:10.17188/1750798.

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                    The Materials Project. Materials Data on Bi(PdO2)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1750798

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                    The Materials Project. 2018.  
"Materials Data on Bi(PdO2)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1750798.  https://www.osti.gov/servlets/purl/1750798. Pub date:Wed Jul 18 00:00:00 EDT 2018

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@article{osti_1750798,

  title        = {Materials Data on Bi(PdO2)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {BiPd2O4 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are four inequivalent Pd3+ sites. In the first Pd3+ site, Pd3+ is bonded in a square co-planar geometry to four O2- atoms. There are two shorter (1.94 Å) and two longer (2.29 Å) Pd–O bond lengths. In the second Pd3+ site, Pd3+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of Pd–O bond distances ranging from 2.11–2.25 Å. In the third Pd3+ site, Pd3+ is bonded in a linear geometry to two equivalent O2- atoms. Both Pd–O bond lengths are 1.24 Å. In the fourth Pd3+ site, Pd3+ is bonded in a linear geometry to two equivalent O2- atoms. Both Pd–O bond lengths are 1.66 Å. Bi2+ is bonded in a 2-coordinate geometry to three O2- atoms. There are a spread of Bi–O bond distances ranging from 1.95–2.77 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted T-shaped geometry to two Pd3+ and one Bi2+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two Pd3+ and one Bi2+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one Pd3+, one Bi2+, and one O2- atom. The O–O bond length is 1.59 Å. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to two Pd3+ and one O2- atom.},

  doi          = {10.17188/1750798},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 18 00:00:00 EDT 2018},

  month        = {Wed Jul 18 00:00:00 EDT 2018}

}

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DOI: https://doi.org/10.17188/1750798

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Materials Data on Bi(PdO2)2 by Materials Project

Dataset The Materials Project

BiPd2O4 crystallizes in the tetragonal P4/nmm space group. The structure is two-dimensional and consists of one BiPd2O4 sheet oriented in the (0, 0, 1) direction. Pd3+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Pd–O bond lengths are 2.01 Å. Bi2+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. All Bi–O bond lengths are 2.25 Å. O2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Pd3+ and one Bi2+ atom.
Materials Data on Gd(PdO2)2 by Materials Project

Dataset The Materials Project

Gd(PdO2)2 crystallizes in the tetragonal I4_1/a space group. The structure is three-dimensional. Gd is bonded in a 8-coordinate geometry to eight equivalent O atoms. There are four shorter (2.37 Å) and four longer (2.50 Å) Gd–O bond lengths. Pd is bonded in a square co-planar geometry to four equivalent O atoms. There are two shorter (2.03 Å) and two longer (2.04 Å) Pd–O bond lengths. O is bonded to two equivalent Gd and two equivalent Pd atoms to form a mixture of edge and corner-sharing OGd2Pd2 tetrahedra.
Materials Data on Nd(PdO2)2 by Materials Project

Dataset The Materials Project

Nd(PdO2)2 crystallizes in the tetragonal I4_1/a space group. The structure is three-dimensional. Nd2+ is bonded in a 8-coordinate geometry to eight equivalent O2- atoms. There are four shorter (2.44 Å) and four longer (2.53 Å) Nd–O bond lengths. Pd3+ is bonded in a square co-planar geometry to four equivalent O2- atoms. There are two shorter (2.03 Å) and two longer (2.04 Å) Pd–O bond lengths. O2- is bonded to two equivalent Nd2+ and two equivalent Pd3+ atoms to form a mixture of distorted edge and corner-sharing ONd2Pd2 tetrahedra.
Materials Data on Y(PdO2)2 by Materials Project

Dataset The Materials Project

Y(PdO2)2 crystallizes in the tetragonal I4_1/a space group. The structure is three-dimensional. Y is bonded in a 8-coordinate geometry to eight equivalent O atoms. There are four shorter (2.34 Å) and four longer (2.46 Å) Y–O bond lengths. Pd is bonded in a square co-planar geometry to four equivalent O atoms. There are two shorter (2.03 Å) and two longer (2.05 Å) Pd–O bond lengths. O is bonded to two equivalent Y and two equivalent Pd atoms to form a mixture of edge and corner-sharing OY2Pd2 tetrahedra.
Materials Data on Pr(PdO2)2 by Materials Project

Dataset The Materials Project

Pr(PdO2)2 crystallizes in the tetragonal I4_1/a space group. The structure is three-dimensional. Pr4+ is bonded in a 8-coordinate geometry to eight equivalent O2- atoms. There are four shorter (2.46 Å) and four longer (2.55 Å) Pr–O bond lengths. Pd2+ is bonded in a square co-planar geometry to four equivalent O2- atoms. There are two shorter (2.03 Å) and two longer (2.04 Å) Pd–O bond lengths. O2- is bonded to two equivalent Pr4+ and two equivalent Pd2+ atoms to form a mixture of distorted edge and corner-sharing OPr2Pd2 tetrahedra.

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