Materials Data on Mn2CoAs by Materials Project

doi:10.17188/1349827

Title: Materials Data on Mn2CoAs by Materials Project

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Abstract

Mn2CoAs crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are two inequivalent Mn sites. In the first Mn site, Mn is bonded to four equivalent Mn and four equivalent As atoms to form distorted edge-sharing MnMn4As4 tetrahedra. All Mn–Mn bond lengths are 2.49 Å. All Mn–As bond lengths are 2.49 Å. In the second Mn site, Mn is bonded in a 4-coordinate geometry to four equivalent Mn, four equivalent Co, and six equivalent As atoms. All Mn–Co bond lengths are 2.49 Å. All Mn–As bond lengths are 2.87 Å. Co is bonded in a distorted body-centered cubic geometry to four equivalent Mn and four equivalent As atoms. All Co–As bond lengths are 2.49 Å. As is bonded in a distorted body-centered cubic geometry to ten Mn and four equivalent Co atoms.

Authors:: The Materials Project

Publication Date:: Fri Jul 24 00:00:00 EDT 2020

Other Number(s):: mp-1017515

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; Mn2CoAs; As-Co-Mn

OSTI Identifier:: 1349827

DOI:: https://doi.org/10.17188/1349827

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                    The Materials Project. Materials Data on Mn2CoAs by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1349827.

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                    The Materials Project. Materials Data on Mn2CoAs by Materials Project.  United States.  doi:https://doi.org/10.17188/1349827

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                    The Materials Project. 2020.  
"Materials Data on Mn2CoAs by Materials Project".  United States.  doi:https://doi.org/10.17188/1349827.  https://www.osti.gov/servlets/purl/1349827. Pub date:Fri Jul 24 00:00:00 EDT 2020

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@article{osti_1349827,

  title        = {Materials Data on Mn2CoAs by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Mn2CoAs crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are two inequivalent Mn sites. In the first Mn site, Mn is bonded to four equivalent Mn and four equivalent As atoms to form distorted edge-sharing MnMn4As4 tetrahedra. All Mn–Mn bond lengths are 2.49 Å. All Mn–As bond lengths are 2.49 Å. In the second Mn site, Mn is bonded in a 4-coordinate geometry to four equivalent Mn, four equivalent Co, and six equivalent As atoms. All Mn–Co bond lengths are 2.49 Å. All Mn–As bond lengths are 2.87 Å. Co is bonded in a distorted body-centered cubic geometry to four equivalent Mn and four equivalent As atoms. All Co–As bond lengths are 2.49 Å. As is bonded in a distorted body-centered cubic geometry to ten Mn and four equivalent Co atoms.},

  doi          = {10.17188/1349827},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Fri Jul 24 00:00:00 EDT 2020},

  month        = {Fri Jul 24 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1349827

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