Materials Data on MgCu2O3 by Materials Project

doi:10.17188/1201425

Title: Materials Data on MgCu2O3 by Materials Project

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Abstract

MgCu2O3 crystallizes in the orthorhombic Pmmn space group. The structure is three-dimensional. Mg2+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing MgO6 octahedra. The corner-sharing octahedral tilt angles are 20°. There are a spread of Mg–O bond distances ranging from 2.06–2.19 Å. Cu2+ is bonded in a 4-coordinate geometry to five O2- atoms. There are a spread of Cu–O bond distances ranging from 1.91–2.62 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 6-coordinate geometry to two equivalent Mg2+ and four equivalent Cu2+ atoms. In the second O2- site, O2- is bonded to two equivalent Mg2+ and three equivalent Cu2+ atoms to form a mixture of corner and edge-sharing OMg2Cu3 trigonal bipyramids.

Authors:: The Materials Project

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

Other Number(s):: mp-27226

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; MgCu2O3; Cu-Mg-O

OSTI Identifier:: 1201425

DOI:: https://doi.org/10.17188/1201425

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                    The Materials Project. Materials Data on MgCu2O3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1201425.

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                    The Materials Project. Materials Data on MgCu2O3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1201425

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                    The Materials Project. 2020.  
"Materials Data on MgCu2O3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1201425.  https://www.osti.gov/servlets/purl/1201425. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1201425,

  title        = {Materials Data on MgCu2O3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {MgCu2O3 crystallizes in the orthorhombic Pmmn space group. The structure is three-dimensional. Mg2+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing MgO6 octahedra. The corner-sharing octahedral tilt angles are 20°. There are a spread of Mg–O bond distances ranging from 2.06–2.19 Å. Cu2+ is bonded in a 4-coordinate geometry to five O2- atoms. There are a spread of Cu–O bond distances ranging from 1.91–2.62 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 6-coordinate geometry to two equivalent Mg2+ and four equivalent Cu2+ atoms. In the second O2- site, O2- is bonded to two equivalent Mg2+ and three equivalent Cu2+ atoms to form a mixture of corner and edge-sharing OMg2Cu3 trigonal bipyramids.},

  doi          = {10.17188/1201425},

  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/10.17188/1201425

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