Materials Data on Mn3AlN by Materials Project

doi:10.17188/1706801

Title: Materials Data on Mn3AlN by Materials Project

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Abstract

Mn3AlN is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Mn is bonded in a linear geometry to four equivalent Al and two equivalent N atoms. All Mn–Al bond lengths are 2.67 Å. Both Mn–N bond lengths are 1.88 Å. Al is bonded to twelve equivalent Mn atoms to form AlMn12 cuboctahedra that share corners with twelve equivalent AlMn12 cuboctahedra, faces with six equivalent AlMn12 cuboctahedra, and faces with eight equivalent NMn6 octahedra. N is bonded to six equivalent Mn atoms to form NMn6 octahedra that share corners with six equivalent NMn6 octahedra and faces with eight equivalent AlMn12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1207055

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; Mn3AlN; Al-Mn-N

OSTI Identifier:: 1706801

DOI:: https://doi.org/10.17188/1706801

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                    The Materials Project. Materials Data on Mn3AlN by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1706801.

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                    The Materials Project. Materials Data on Mn3AlN by Materials Project.  United States.  doi:https://doi.org/10.17188/1706801

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                    The Materials Project. 2020.  
"Materials Data on Mn3AlN by Materials Project".  United States.  doi:https://doi.org/10.17188/1706801.  https://www.osti.gov/servlets/purl/1706801. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1706801,

  title        = {Materials Data on Mn3AlN by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Mn3AlN is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Mn is bonded in a linear geometry to four equivalent Al and two equivalent N atoms. All Mn–Al bond lengths are 2.67 Å. Both Mn–N bond lengths are 1.88 Å. Al is bonded to twelve equivalent Mn atoms to form AlMn12 cuboctahedra that share corners with twelve equivalent AlMn12 cuboctahedra, faces with six equivalent AlMn12 cuboctahedra, and faces with eight equivalent NMn6 octahedra. N is bonded to six equivalent Mn atoms to form NMn6 octahedra that share corners with six equivalent NMn6 octahedra and faces with eight equivalent AlMn12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.},

  doi          = {10.17188/1706801},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1706801

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