Materials Data on PdO2 by Materials Project

doi:10.17188/1350473

Title: Materials Data on PdO2 by Materials Project

Dataset
Other Related Research

Abstract

PdO2 is Hydrophilite structured and crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. Pd4+ is bonded to six equivalent O2- atoms to form a mixture of edge and corner-sharing PdO6 octahedra. The corner-sharing octahedral tilt angles are 52°. There are two shorter (2.00 Å) and four longer (2.03 Å) Pd–O bond lengths. O2- is bonded in a trigonal planar geometry to three equivalent Pd4+ atoms.

Publication Date:: 2020-07-16

Other Number(s):: mp-1018886

DOE Contract Number:: AC02-05CH11231

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; O-Pd; PdO2; crystal structure

OSTI Identifier:: 1350473

DOI:: https://doi.org/10.17188/1350473

Citation Formats


                    Materials Data on PdO2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1350473.

Copy to clipboard


                    Materials Data on PdO2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1350473

Copy to clipboard


                    2020.  
"Materials Data on PdO2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1350473.  https://www.osti.gov/servlets/purl/1350473. Pub date:Thu Jul 16 00:00:00 EDT 2020

Copy to clipboard


                    
@article{osti_1350473,

  title        = {Materials Data on PdO2 by Materials Project},

  
  abstractNote = {PdO2 is Hydrophilite structured and crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. Pd4+ is bonded to six equivalent O2- atoms to form a mixture of edge and corner-sharing PdO6 octahedra. The corner-sharing octahedral tilt angles are 52°. There are two shorter (2.00 Å) and four longer (2.03 Å) Pd–O bond lengths. O2- is bonded in a trigonal planar geometry to three equivalent Pd4+ atoms.},

  doi          = {10.17188/1350473},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1350473

Save / Share:

Export Metadata

Save to My Library

Similar records in DOE Data Explorer and OSTI.GOV collections:

Materials Data on PdO2 by Materials Project

Dataset

PdO2 is Fluorite structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Pd4+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Pd–O bond lengths are 2.18 Å. O2- is bonded to four equivalent Pd4+ atoms to form a mixture of corner and edge-sharing OPd4 tetrahedra.
Materials Data on Ba(PdO2)2 by Materials Project

Dataset

Ba(PdO2)2 crystallizes in the tetragonal I4_1/a space group. The structure is three-dimensional. Ba2+ is bonded in a 8-coordinate geometry to eight equivalent O2- atoms. There are four shorter (2.74 Å) and four longer (2.80 Å) Ba–O bond lengths. Pd3+ is bonded in a square co-planar geometry to four equivalent O2- atoms. There is two shorter (1.99 Å) and two longer (2.00 Å) Pd–O bond length. O2- is bonded to two equivalent Ba2+ and two equivalent Pd3+ atoms to form a mixture of distorted corner and edge-sharing OBa2Pd2 tetrahedra.
Materials Data on Bi(PdO2)2 by Materials Project

Dataset

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 Pr(PdO2)2 by Materials Project

Dataset

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.
Materials Data on Nd(PdO2)2 by Materials Project

Dataset

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.

Similar Records