Materials Data on PdO by Materials Project

doi:10.17188/1187315

Title: Materials Data on PdO by Materials Project

Dataset
Other Related Research

Abstract

PdO is Halite, Rock Salt structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Pd2+ is bonded to six equivalent O2- atoms to form a mixture of corner and edge-sharing PdO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are four shorter (2.27 Å) and two longer (2.29 Å) Pd–O bond lengths. O2- is bonded to six equivalent Pd2+ atoms to form a mixture of corner and edge-sharing OPd6 octahedra. The corner-sharing octahedral tilt angles are 0°.

Authors:: The Materials Project

Publication Date:: 2020-07-15

Other Number(s):: mp-10728

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; PdO; O-Pd

OSTI Identifier:: 1187315

DOI:: https://doi.org/10.17188/1187315

Citation Formats


                    The Materials Project. Materials Data on PdO by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1187315.

Copy to clipboard


                    The Materials Project. Materials Data on PdO by Materials Project.  United States.  doi:https://doi.org/10.17188/1187315

Copy to clipboard


                    The Materials Project. 2020.  
"Materials Data on PdO by Materials Project".  United States.  doi:https://doi.org/10.17188/1187315.  https://www.osti.gov/servlets/purl/1187315. Pub date:Wed Jul 15 00:00:00 EDT 2020

Copy to clipboard


                    
@article{osti_1187315,

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

  author       = {The Materials Project},

  abstractNote = {PdO is Halite, Rock Salt structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Pd2+ is bonded to six equivalent O2- atoms to form a mixture of corner and edge-sharing PdO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are four shorter (2.27 Å) and two longer (2.29 Å) Pd–O bond lengths. O2- is bonded to six equivalent Pd2+ atoms to form a mixture of corner and edge-sharing OPd6 octahedra. The corner-sharing octahedral tilt angles are 0°.},

  doi          = {10.17188/1187315},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1187315

Save / Share:

Export Metadata

Save to My Library

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

Materials Data on PdO by Materials Project

Dataset The Materials Project

PdO crystallizes in the tetragonal P4_2/mmc space group. The structure is three-dimensional. Pd2+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Pd–O bond lengths are 2.06 Å. O2- is bonded to four equivalent Pd2+ atoms to form a mixture of edge and corner-sharing OPd4 tetrahedra.
Materials Data on PdO by Materials Project

Dataset The Materials Project

PdO is Tetraauricupride structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Pd2+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Pd–O bond lengths are 2.44 Å. O2- is bonded in a body-centered cubic geometry to eight equivalent Pd2+ atoms.
Replication Data for: Reduction of Oxidized Pd/Ag(111) Surfaces by H2: Sensitivity to PdO Island Size and Dispersion

Dataset Karatok, Mustafa ; Egle, Tobias ; Mehar, Vikram ; ...

The data underlying this published work have been made publicly available in this repository as part of the IMASC Data Management Plan. This work was supported as part of the Integrated Mesoscale Architectures for Sustainable Catalysis (IMASC), an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science, Basic Energy Sciences under Award # DE-SC0012573.
Materials Data on LiMg9B20 by Materials Project

Dataset The Materials Project

LiMg9B20 is hexagonal omega structure-derived structured and crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Li is bonded to twelve B atoms to form LiB12 cuboctahedra that share edges with twelve MgB12 cuboctahedra and faces with eight MgB12 cuboctahedra. There are a spread of Li–B bond distances ranging from 2.48–2.50 Å. There are five inequivalent Mg sites. In the first Mg site, Mg is bonded to twelve B atoms to form MgB12 cuboctahedra that share edges with twelve MgB12 cuboctahedra, faces with two equivalent LiB12 cuboctahedra, and faces with six MgB12 cuboctahedra. There are a spread ofmore »« less
Materials Data on Y(CoB)2 by Materials Project

Dataset The Materials Project

YCo2B2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Y3+ is bonded in a body-centered cubic geometry to eight equivalent B3- atoms. All Y–B bond lengths are 2.89 Å. Co+1.50+ is bonded to four equivalent B3- atoms to form a mixture of distorted edge and corner-sharing CoB4 tetrahedra. All Co–B bond lengths are 2.00 Å. B3- is bonded in a 4-coordinate geometry to four equivalent Y3+ and four equivalent Co+1.50+ atoms.

Similar Records