Materials Data on K(RuO2)4 by Materials Project

doi:10.17188/1272388

Title: Materials Data on K(RuO2)4 by Materials Project

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Abstract

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 bonded in a 5-coordinate geometry to two equivalent K1+ and three equivalent Ru+3.75+ atoms.

Publication Date:: Thu Jul 16 04:00:00 UTC 2020

Other Number(s):: mp-5628

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; K(RuO2)4; K-O-Ru; crystal structure

OSTI Identifier:: 1272388

DOI:: https://doi.org/10.17188/1272388

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                    Materials Data on K(RuO2)4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1272388.

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                    Materials Data on K(RuO2)4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1272388

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                    2020.  
"Materials Data on K(RuO2)4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1272388.  https://www.osti.gov/servlets/purl/1272388. Pub date:Thu Jul 16 04:00:00 UTC 2020

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@article{osti_1272388,

  title        = {Materials Data on K(RuO2)4 by Materials Project},

  
  abstractNote = {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 bonded in a 5-coordinate geometry to two equivalent K1+ and three equivalent Ru+3.75+ atoms.},

  doi          = {10.17188/1272388},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 16 04:00:00 UTC 2020},

  month        = {Thu Jul 16 04:00:00 UTC 2020}

}

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DOI: https://doi.org/10.17188/1272388

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