Materials Data on Mn2ZnAs2 by Materials Project

doi:10.17188/1308036

Title: Materials Data on Mn2ZnAs2 by Materials Project

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Abstract

ZnMn2As2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Mn2+ is bonded to four equivalent As3- atoms to form MnAs4 tetrahedra that share corners with six equivalent ZnAs6 octahedra, corners with six equivalent MnAs4 tetrahedra, edges with three equivalent ZnAs6 octahedra, and edges with three equivalent MnAs4 tetrahedra. The corner-sharing octahedra tilt angles range from 14–56°. There are one shorter (2.43 Å) and three longer (2.44 Å) Mn–As bond lengths. Zn2+ is bonded to six equivalent As3- atoms to form ZnAs6 octahedra that share corners with twelve equivalent MnAs4 tetrahedra, edges with six equivalent ZnAs6 octahedra, and edges with six equivalent MnAs4 tetrahedra. All Zn–As bond lengths are 2.77 Å. As3- is bonded to four equivalent Mn2+ and three equivalent Zn2+ atoms to form a mixture of distorted corner and edge-sharing AsMn4Zn3 pentagonal bipyramids.

Authors:: The Materials Project

Publication Date:: 2020-07-16

Other Number(s):: mp-8322

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; Mn2ZnAs2; As-Mn-Zn

OSTI Identifier:: 1308036

DOI:: https://doi.org/10.17188/1308036

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                    The Materials Project. Materials Data on Mn2ZnAs2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1308036.

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                    The Materials Project. Materials Data on Mn2ZnAs2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1308036

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                    The Materials Project. 2020.  
"Materials Data on Mn2ZnAs2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1308036.  https://www.osti.gov/servlets/purl/1308036. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1308036,

  title        = {Materials Data on Mn2ZnAs2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {ZnMn2As2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Mn2+ is bonded to four equivalent As3- atoms to form MnAs4 tetrahedra that share corners with six equivalent ZnAs6 octahedra, corners with six equivalent MnAs4 tetrahedra, edges with three equivalent ZnAs6 octahedra, and edges with three equivalent MnAs4 tetrahedra. The corner-sharing octahedra tilt angles range from 14–56°. There are one shorter (2.43 Å) and three longer (2.44 Å) Mn–As bond lengths. Zn2+ is bonded to six equivalent As3- atoms to form ZnAs6 octahedra that share corners with twelve equivalent MnAs4 tetrahedra, edges with six equivalent ZnAs6 octahedra, and edges with six equivalent MnAs4 tetrahedra. All Zn–As bond lengths are 2.77 Å. As3- is bonded to four equivalent Mn2+ and three equivalent Zn2+ atoms to form a mixture of distorted corner and edge-sharing AsMn4Zn3 pentagonal bipyramids.},

  doi          = {10.17188/1308036},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1308036

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