Materials Data on RuO2 by Materials Project

doi:10.17188/1307989

Title: Materials Data on RuO2 by Materials Project

Dataset
Other Related Research

Abstract

RuO2 is Hydrophilite-like structured and crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. Ru4+ is bonded to six equivalent O2- atoms to form a mixture of edge and corner-sharing RuO6 octahedra. The corner-sharing octahedral tilt angles are 52°. There is two shorter (1.96 Å) and four longer (2.01 Å) Ru–O bond length. O2- is bonded in a trigonal planar geometry to three equivalent Ru4+ atoms.

Publication Date:: Sat May 02 00:00:00 EDT 2020

Other Number(s):: mp-825

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-Ru; RuO2; crystal structure

OSTI Identifier:: 1307989

DOI:: https://doi.org/10.17188/1307989

Citation Formats


                    Materials Data on RuO2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1307989.

Copy to clipboard


                    Materials Data on RuO2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1307989

Copy to clipboard


                    2020.  
"Materials Data on RuO2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1307989.  https://www.osti.gov/servlets/purl/1307989. Pub date:Sat May 02 00:00:00 EDT 2020

Copy to clipboard


                    
@article{osti_1307989,

  title        = {Materials Data on RuO2 by Materials Project},

  
  abstractNote = {RuO2 is Hydrophilite-like structured and crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. Ru4+ is bonded to six equivalent O2- atoms to form a mixture of edge and corner-sharing RuO6 octahedra. The corner-sharing octahedral tilt angles are 52°. There is two shorter (1.96 Å) and four longer (2.01 Å) Ru–O bond length. O2- is bonded in a trigonal planar geometry to three equivalent Ru4+ atoms.},

  doi          = {10.17188/1307989},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat May 02 00:00:00 EDT 2020},

  month        = {Sat May 02 00:00:00 EDT 2020}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1307989

Save / Share:

Export Metadata

Save to My Library

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

Materials Data on RuO2 by Materials Project

Dataset

RuO2 is Fluorite structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ru4+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Ru–O bond lengths are 2.10 Å. O2- is bonded to four equivalent Ru4+ atoms to form a mixture of edge and corner-sharing ORu4 tetrahedra.
Materials Data on RuO2 by Materials Project

Dataset

RuO2 crystallizes in the cubic Pa-3 space group. The structure is three-dimensional. Ru4+ is bonded to six equivalent O2- atoms to form corner-sharing RuO6 octahedra. The corner-sharing octahedral tilt angles are 61°. All Ru–O bond lengths are 2.01 Å. O2- is bonded in a trigonal planar geometry to three equivalent Ru4+ atoms.
Materials Data on K(RuO2)4 by Materials Project

Dataset

KRu4O8 crystallizes in the tetragonal I4/m space group. The structure is three-dimensional. K1+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All K–O bond lengths are 2.96 Å. Ru+3.75+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing RuO6 octahedra. The corner-sharing octahedral tilt angles are 53°. There are a spread of Ru–O bond distances ranging from 1.95–2.07 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to three equivalent Ru+3.75+ atoms. In the second O2- site, O2- is bondedmore »« less
Materials Data on NaLi2(RuO2)6 by Materials Project

Dataset

NaLi2(RuO2)6 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Na1+ is bonded in a distorted hexagonal planar geometry to six O2- atoms. There are two shorter (2.55 Å) and four longer (2.57 Å) Na–O bond lengths. Li1+ is bonded to six O2- atoms to form distorted LiO6 pentagonal pyramids that share corners with twelve RuO6 octahedra, edges with three RuO6 octahedra, and faces with two equivalent LiO6 pentagonal pyramids. The corner-sharing octahedra tilt angles range from 33–68°. There are two shorter (2.17 Å) and four longer (2.18 Å) Li–O bond lengths. There are three inequivalent Ru+3.50+ sites.more »« less
Materials Data on Ba(RuO2)6 by Materials Project

Dataset

BaRu6O12 crystallizes in the tetragonal P4/n space group. The structure is three-dimensional. there are two inequivalent Ba2+ sites. In the first Ba2+ site, Ba2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are four shorter (2.75 Å) and four longer (3.11 Å) Ba–O bond lengths. In the second Ba2+ site, Ba2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are four shorter (2.73 Å) and four longer (3.11 Å) Ba–O bond lengths. There are three inequivalent Ru+3.67+ sites. In the first Ru+3.67+ site, Ru+3.67+ is bonded to six O2- atoms to form a mixturemore »« less

Similar Records