Materials Data on BaDy2CoO5 by Materials Project

doi:10.17188/1193988

Title: Materials Data on BaDy2CoO5 by Materials Project

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Abstract

Dy2BaCoO5 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 two shorter (2.91 Å) and eight longer (2.98 Å) Ba–O bond lengths. Dy3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Dy–O bond distances ranging from 2.26–2.43 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 (2.25 Å) Co–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 6-coordinate geometry to two equivalent Ba2+, three equivalent Dy3+, and one Co2+ atom. In the second O2- site, O2- is bonded in a 6-coordinate geometry to two equivalent Ba2+, two equivalent Dy3+, and two equivalent Co2+ atoms.

Authors:: The Materials Project

Publication Date:: Thu Jul 16 00:00:00 EDT 2020

Other Number(s):: mp-19164

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; BaDy2CoO5; Ba-Co-Dy-O

OSTI Identifier:: 1193988

DOI:: https://doi.org/10.17188/1193988

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                    The Materials Project. Materials Data on BaDy2CoO5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1193988.

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                    The Materials Project. Materials Data on BaDy2CoO5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1193988

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                    The Materials Project. 2020.  
"Materials Data on BaDy2CoO5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1193988.  https://www.osti.gov/servlets/purl/1193988. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1193988,

  title        = {Materials Data on BaDy2CoO5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Dy2BaCoO5 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 two shorter (2.91 Å) and eight longer (2.98 Å) Ba–O bond lengths. Dy3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Dy–O bond distances ranging from 2.26–2.43 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 (2.25 Å) Co–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 6-coordinate geometry to two equivalent Ba2+, three equivalent Dy3+, and one Co2+ atom. In the second O2- site, O2- is bonded in a 6-coordinate geometry to two equivalent Ba2+, two equivalent Dy3+, and two equivalent Co2+ atoms.},

  doi          = {10.17188/1193988},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 16 00:00:00 EDT 2020},

  month        = {Thu Jul 16 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1193988

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