Materials Data on LaCu3(RuO3)4 by Materials Project

doi:10.17188/1283708

Title: Materials Data on LaCu3(RuO3)4 by Materials Project

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Abstract

LaCu3(RuO3)4 crystallizes in the cubic Im-3 space group. The structure is three-dimensional. La3+ is bonded to twelve equivalent O2- atoms to form LaO12 cuboctahedra that share faces with eight equivalent RuO6 octahedra. All La–O bond lengths are 2.65 Å. Ru+4.50+ is bonded to six equivalent O2- atoms to form RuO6 octahedra that share corners with six equivalent RuO6 octahedra and faces with two equivalent LaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 42°. All Ru–O bond lengths are 2.02 Å. Cu1+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Cu–O bond lengths are 1.96 Å. O2- is bonded in a 4-coordinate geometry to one La3+, two equivalent Ru+4.50+, and one Cu1+ atom.

Authors:: The Materials Project

Publication Date:: Sat Jul 18 00:00:00 EDT 2020

Other Number(s):: mp-680690

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; LaCu3(RuO3)4; Cu-La-O-Ru

OSTI Identifier:: 1283708

DOI:: https://doi.org/10.17188/1283708

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                    The Materials Project. Materials Data on LaCu3(RuO3)4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1283708.

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                    The Materials Project. Materials Data on LaCu3(RuO3)4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1283708

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                    The Materials Project. 2020.  
"Materials Data on LaCu3(RuO3)4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1283708.  https://www.osti.gov/servlets/purl/1283708. Pub date:Sat Jul 18 00:00:00 EDT 2020

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@article{osti_1283708,

  title        = {Materials Data on LaCu3(RuO3)4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {LaCu3(RuO3)4 crystallizes in the cubic Im-3 space group. The structure is three-dimensional. La3+ is bonded to twelve equivalent O2- atoms to form LaO12 cuboctahedra that share faces with eight equivalent RuO6 octahedra. All La–O bond lengths are 2.65 Å. Ru+4.50+ is bonded to six equivalent O2- atoms to form RuO6 octahedra that share corners with six equivalent RuO6 octahedra and faces with two equivalent LaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 42°. All Ru–O bond lengths are 2.02 Å. Cu1+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Cu–O bond lengths are 1.96 Å. O2- is bonded in a 4-coordinate geometry to one La3+, two equivalent Ru+4.50+, and one Cu1+ atom.},

  doi          = {10.17188/1283708},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat Jul 18 00:00:00 EDT 2020},

  month        = {Sat Jul 18 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1283708

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