Materials Data on Mn2Co2O5 by Materials Project

doi:10.17188/1314661

Title: Materials Data on Mn2Co2O5 by Materials Project

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Abstract

Mn2Co2O5 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are two inequivalent Mn2+ sites. In the first Mn2+ site, Mn2+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Mn–O bond lengths are 2.27 Å. In the second Mn2+ site, Mn2+ is bonded in a distorted square co-planar geometry to four equivalent O2- atoms. All Mn–O bond lengths are 2.58 Å. Co3+ is bonded to five O2- atoms to form corner-sharing CoO5 square pyramids. There is four shorter (1.86 Å) and one longer (1.90 Å) Co–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Mn2+ and two equivalent Co3+ atoms. In the second O2- site, O2- is bonded to four equivalent Mn2+ and two equivalent Co3+ atoms to form a mixture of distorted edge and corner-sharing OMn4Co2 octahedra. The corner-sharing octahedral tilt angles are 0°.

Authors:: The Materials Project

Publication Date:: 2020-07-22

Other Number(s):: mp-974861

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; Mn2Co2O5; Co-Mn-O

OSTI Identifier:: 1314661

DOI:: https://doi.org/10.17188/1314661

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                    The Materials Project. Materials Data on Mn2Co2O5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1314661.

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                    The Materials Project. Materials Data on Mn2Co2O5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1314661

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                    The Materials Project. 2020.  
"Materials Data on Mn2Co2O5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1314661.  https://www.osti.gov/servlets/purl/1314661. Pub date:Wed Jul 22 00:00:00 EDT 2020

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@article{osti_1314661,

  title        = {Materials Data on Mn2Co2O5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Mn2Co2O5 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are two inequivalent Mn2+ sites. In the first Mn2+ site, Mn2+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Mn–O bond lengths are 2.27 Å. In the second Mn2+ site, Mn2+ is bonded in a distorted square co-planar geometry to four equivalent O2- atoms. All Mn–O bond lengths are 2.58 Å. Co3+ is bonded to five O2- atoms to form corner-sharing CoO5 square pyramids. There is four shorter (1.86 Å) and one longer (1.90 Å) Co–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Mn2+ and two equivalent Co3+ atoms. In the second O2- site, O2- is bonded to four equivalent Mn2+ and two equivalent Co3+ atoms to form a mixture of distorted edge and corner-sharing OMn4Co2 octahedra. The corner-sharing octahedral tilt angles are 0°.},

  doi          = {10.17188/1314661},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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