Materials Data on Eu2BaCoO5 by Materials Project

doi:10.17188/1267144

Title: Materials Data on Eu2BaCoO5 by Materials Project

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Abstract

BaEu2CoO5 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Ba2+ is bonded in a distorted q6 geometry to ten O2- atoms. There are eight shorter (2.95 Å) and two longer (2.99 Å) Ba–O bond lengths. Eu3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Eu–O bond distances ranging from 2.38–2.49 Å. Co2+ is bonded to six O2- atoms to form corner-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are two shorter (1.89 Å) and four longer (2.19 Å) Co–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Ba2+, three equivalent Eu3+, and one Co2+ atom to form a mixture of distorted edge, face, and corner-sharing OBa2Eu3Co octahedra. The corner-sharing octahedra tilt angles range from 0–68°. In the second O2- site, O2- is bonded in a 6-coordinate geometry to two equivalent Ba2+, two equivalent Eu3+, and two equivalent Co2+ atoms.

Authors:: The Materials Project

Publication Date:: 2017-06-23

Other Number(s):: mp-546182

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; Eu2BaCoO5; Ba-Co-Eu-O

OSTI Identifier:: 1267144

DOI:: https://doi.org/10.17188/1267144

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                    The Materials Project. Materials Data on Eu2BaCoO5 by Materials Project.  United States: N. p., 2017. 
        Web.  doi:10.17188/1267144.

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                    The Materials Project. Materials Data on Eu2BaCoO5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1267144

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                    The Materials Project. 2017.  
"Materials Data on Eu2BaCoO5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1267144.  https://www.osti.gov/servlets/purl/1267144. Pub date:Fri Jun 23 00:00:00 EDT 2017

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@article{osti_1267144,

  title        = {Materials Data on Eu2BaCoO5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {BaEu2CoO5 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Ba2+ is bonded in a distorted q6 geometry to ten O2- atoms. There are eight shorter (2.95 Å) and two longer (2.99 Å) Ba–O bond lengths. Eu3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Eu–O bond distances ranging from 2.38–2.49 Å. Co2+ is bonded to six O2- atoms to form corner-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are two shorter (1.89 Å) and four longer (2.19 Å) Co–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Ba2+, three equivalent Eu3+, and one Co2+ atom to form a mixture of distorted edge, face, and corner-sharing OBa2Eu3Co octahedra. The corner-sharing octahedra tilt angles range from 0–68°. In the second O2- site, O2- is bonded in a 6-coordinate geometry to two equivalent Ba2+, two equivalent Eu3+, and two equivalent Co2+ atoms.},

  doi          = {10.17188/1267144},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2017},

  month        = {6}

}

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DOI: https://doi.org/10.17188/1267144

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