Materials Data on BaCuO2 by Materials Project

doi:10.17188/1272676

Title: Materials Data on BaCuO2 by Materials Project

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Abstract

BaCuO2 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Ba2+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Ba–O bond lengths are 2.79 Å. Cu2+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Cu–O bond lengths are 2.01 Å. O2- is bonded to four equivalent Ba2+ and two equivalent Cu2+ atoms to form a mixture of distorted face, edge, and corner-sharing OBa4Cu2 octahedra. The corner-sharing octahedra tilt angles range from 0–61°.

Authors:: The Materials Project

Publication Date:: 2020-07-20

Other Number(s):: mp-752398

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; BaCuO2; Ba-Cu-O

OSTI Identifier:: 1272676

DOI:: https://doi.org/10.17188/1272676

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                    The Materials Project. Materials Data on BaCuO2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1272676.

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                    The Materials Project. Materials Data on BaCuO2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1272676

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                    The Materials Project. 2020.  
"Materials Data on BaCuO2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1272676.  https://www.osti.gov/servlets/purl/1272676. Pub date:Mon Jul 20 00:00:00 EDT 2020

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@article{osti_1272676,

  title        = {Materials Data on BaCuO2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {BaCuO2 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Ba2+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Ba–O bond lengths are 2.79 Å. Cu2+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Cu–O bond lengths are 2.01 Å. O2- is bonded to four equivalent Ba2+ and two equivalent Cu2+ atoms to form a mixture of distorted face, edge, and corner-sharing OBa4Cu2 octahedra. The corner-sharing octahedra tilt angles range from 0–61°.},

  doi          = {10.17188/1272676},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1272676

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