Materials Data on MnCo3 by Materials Project

doi:10.17188/1759435

Title: Materials Data on MnCo3 by Materials Project

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Abstract

Co3Mn is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Mn is bonded to twelve equivalent Co atoms to form MnCo12 cuboctahedra that share corners with six equivalent MnCo12 cuboctahedra, corners with twelve equivalent CoMn4Co8 cuboctahedra, edges with eighteen equivalent CoMn4Co8 cuboctahedra, faces with eight equivalent MnCo12 cuboctahedra, and faces with twelve equivalent CoMn4Co8 cuboctahedra. There are six shorter (2.43 Å) and six longer (2.47 Å) Mn–Co bond lengths. Co is bonded to four equivalent Mn and eight equivalent Co atoms to form distorted CoMn4Co8 cuboctahedra that share corners with four equivalent MnCo12 cuboctahedra, corners with fourteen equivalent CoMn4Co8 cuboctahedra, edges with six equivalent MnCo12 cuboctahedra, edges with twelve equivalent CoMn4Co8 cuboctahedra, faces with four equivalent MnCo12 cuboctahedra, and faces with sixteen equivalent CoMn4Co8 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.44–2.48 Å.

Authors:: The Materials Project

Publication Date:: 2020-09-03

Other Number(s):: mp-1186063

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; MnCo3; Co-Mn

OSTI Identifier:: 1759435

DOI:: https://doi.org/10.17188/1759435

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                    The Materials Project. Materials Data on MnCo3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1759435.

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                    The Materials Project. Materials Data on MnCo3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1759435

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                    The Materials Project. 2020.  
"Materials Data on MnCo3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1759435.  https://www.osti.gov/servlets/purl/1759435. Pub date:Thu Sep 03 00:00:00 EDT 2020

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@article{osti_1759435,

  title        = {Materials Data on MnCo3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Co3Mn is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Mn is bonded to twelve equivalent Co atoms to form MnCo12 cuboctahedra that share corners with six equivalent MnCo12 cuboctahedra, corners with twelve equivalent CoMn4Co8 cuboctahedra, edges with eighteen equivalent CoMn4Co8 cuboctahedra, faces with eight equivalent MnCo12 cuboctahedra, and faces with twelve equivalent CoMn4Co8 cuboctahedra. There are six shorter (2.43 Å) and six longer (2.47 Å) Mn–Co bond lengths. Co is bonded to four equivalent Mn and eight equivalent Co atoms to form distorted CoMn4Co8 cuboctahedra that share corners with four equivalent MnCo12 cuboctahedra, corners with fourteen equivalent CoMn4Co8 cuboctahedra, edges with six equivalent MnCo12 cuboctahedra, edges with twelve equivalent CoMn4Co8 cuboctahedra, faces with four equivalent MnCo12 cuboctahedra, and faces with sixteen equivalent CoMn4Co8 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.44–2.48 Å.},

  doi          = {10.17188/1759435},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {9}

}

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