Materials Data on Ir2Ru2O5 by Materials Project

doi:10.17188/1684572

Title: Materials Data on Ir2Ru2O5 by Materials Project

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Abstract

RuRuIr2O5 crystallizes in the tetragonal P4/mmm space group. The structure is two-dimensional and consists of one ruthenium molecule and one RuIr2O5 sheet oriented in the (0, 0, 1) direction. In the RuIr2O5 sheet, Ru2+ is bonded to twelve O2- atoms to form a mixture of face and corner-sharing RuO12 cuboctahedra. There are eight shorter (2.31 Å) and four longer (2.42 Å) Ru–O bond lengths. Ir3+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. All Ir–O bond lengths are 2.09 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Ru2+ and two equivalent Ir3+ atoms to form a mixture of distorted edge and corner-sharing OIr2Ru2 tetrahedra. In the second O2- site, O2- is bonded in a distorted square co-planar geometry to four equivalent Ru2+ atoms.

Authors:: The Materials Project

Publication Date:: 2019-01-11

Other Number(s):: mp-1184803

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; Ir2Ru2O5; Ir-O-Ru

OSTI Identifier:: 1684572

DOI:: https://doi.org/10.17188/1684572

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                    The Materials Project. Materials Data on Ir2Ru2O5 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1684572.

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                    The Materials Project. Materials Data on Ir2Ru2O5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1684572

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                    The Materials Project. 2019.  
"Materials Data on Ir2Ru2O5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1684572.  https://www.osti.gov/servlets/purl/1684572. Pub date:Fri Jan 11 00:00:00 EST 2019

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@article{osti_1684572,

  title        = {Materials Data on Ir2Ru2O5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {RuRuIr2O5 crystallizes in the tetragonal P4/mmm space group. The structure is two-dimensional and consists of one ruthenium molecule and one RuIr2O5 sheet oriented in the (0, 0, 1) direction. In the RuIr2O5 sheet, Ru2+ is bonded to twelve O2- atoms to form a mixture of face and corner-sharing RuO12 cuboctahedra. There are eight shorter (2.31 Å) and four longer (2.42 Å) Ru–O bond lengths. Ir3+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. All Ir–O bond lengths are 2.09 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Ru2+ and two equivalent Ir3+ atoms to form a mixture of distorted edge and corner-sharing OIr2Ru2 tetrahedra. In the second O2- site, O2- is bonded in a distorted square co-planar geometry to four equivalent Ru2+ atoms.},

  doi          = {10.17188/1684572},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

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DOI: https://doi.org/10.17188/1684572

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