Materials Data on Eu3IrO7 by Materials Project

doi:10.17188/1192816

Title: Materials Data on Eu3IrO7 by Materials Project

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Abstract

Eu3IrO7 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Eu3+ sites. In the first Eu3+ site, Eu3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are four shorter (2.38 Å) and four longer (2.75 Å) Eu–O bond lengths. In the second Eu3+ site, Eu3+ is bonded to seven O2- atoms to form distorted EuO7 pentagonal bipyramids that share corners with two equivalent IrO6 octahedra, corners with three equivalent EuO7 pentagonal bipyramids, edges with two equivalent IrO6 octahedra, and edges with two equivalent EuO7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 37°. There are a spread of Eu–O bond distances ranging from 2.27–2.64 Å. Ir5+ is bonded to six O2- atoms to form IrO6 octahedra that share corners with two equivalent IrO6 octahedra, corners with four equivalent EuO7 pentagonal bipyramids, and edges with four equivalent EuO7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 39°. There is four shorter (1.96 Å) and two longer (2.00 Å) Ir–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Eu3+ and two equivalent Ir5+ atoms. In the secondmore »« less

Authors:: The Materials Project

Publication Date:: Wed Jul 15 00:00:00 EDT 2020

Other Number(s):: mp-17981

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; Eu3IrO7; Eu-Ir-O

OSTI Identifier:: 1192816

DOI:: https://doi.org/10.17188/1192816

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                    The Materials Project. Materials Data on Eu3IrO7 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1192816.

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                    The Materials Project. Materials Data on Eu3IrO7 by Materials Project.  United States.  doi:https://doi.org/10.17188/1192816

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                    The Materials Project. 2020.  
"Materials Data on Eu3IrO7 by Materials Project".  United States.  doi:https://doi.org/10.17188/1192816.  https://www.osti.gov/servlets/purl/1192816. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1192816,

  title        = {Materials Data on Eu3IrO7 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Eu3IrO7 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Eu3+ sites. In the first Eu3+ site, Eu3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are four shorter (2.38 Å) and four longer (2.75 Å) Eu–O bond lengths. In the second Eu3+ site, Eu3+ is bonded to seven O2- atoms to form distorted EuO7 pentagonal bipyramids that share corners with two equivalent IrO6 octahedra, corners with three equivalent EuO7 pentagonal bipyramids, edges with two equivalent IrO6 octahedra, and edges with two equivalent EuO7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 37°. There are a spread of Eu–O bond distances ranging from 2.27–2.64 Å. Ir5+ is bonded to six O2- atoms to form IrO6 octahedra that share corners with two equivalent IrO6 octahedra, corners with four equivalent EuO7 pentagonal bipyramids, and edges with four equivalent EuO7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 39°. There is four shorter (1.96 Å) and two longer (2.00 Å) Ir–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Eu3+ and two equivalent Ir5+ atoms. In the second O2- site, O2- is bonded to four Eu3+ atoms to form a mixture of edge and corner-sharing OEu4 tetrahedra. In the third O2- site, O2- is bonded in a 4-coordinate geometry to three Eu3+ and one Ir5+ atom.},

  doi          = {10.17188/1192816},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 15 00:00:00 EDT 2020},

  month        = {Wed Jul 15 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1192816

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