Materials Data on Mn3Zn by Materials Project

doi:10.17188/1314034

Title: Materials Data on Mn3Zn by Materials Project

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Abstract

Mn3Zn is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Mn sites. In the first Mn site, Mn is bonded to eight Mn and four equivalent Zn atoms to form MnMn8Zn4 cuboctahedra that share corners with twelve equivalent MnMn8Zn4 cuboctahedra, edges with eight equivalent ZnMn12 cuboctahedra, edges with sixteen MnMn8Zn4 cuboctahedra, faces with four equivalent ZnMn12 cuboctahedra, and faces with fourteen MnMn8Zn4 cuboctahedra. There are four shorter (2.48 Å) and four longer (2.59 Å) Mn–Mn bond lengths. All Mn–Zn bond lengths are 2.59 Å. In the second Mn site, Mn is bonded to eight equivalent Mn and four equivalent Zn atoms to form MnMn8Zn4 cuboctahedra that share corners with four equivalent MnMn8Zn4 cuboctahedra, corners with eight equivalent ZnMn12 cuboctahedra, edges with twenty-four MnMn8Zn4 cuboctahedra, faces with six equivalent ZnMn12 cuboctahedra, and faces with twelve MnMn8Zn4 cuboctahedra. All Mn–Zn bond lengths are 2.48 Å. Zn is bonded to twelve Mn atoms to form ZnMn12 cuboctahedra that share corners with four equivalent ZnMn12 cuboctahedra, corners with eight equivalent MnMn8Zn4 cuboctahedra, edges with eight equivalent ZnMn12 cuboctahedra, edges with sixteen equivalent MnMn8Zn4 cuboctahedra, faces with four equivalent ZnMn12 cuboctahedra, and faces withmore » fourteen MnMn8Zn4 cuboctahedra.« less

Authors:: The Materials Project

Publication Date:: Thu Jul 23 00:00:00 EDT 2020

Other Number(s):: mp-973181

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; Mn3Zn; Mn-Zn

OSTI Identifier:: 1314034

DOI:: https://doi.org/10.17188/1314034

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                    The Materials Project. Materials Data on Mn3Zn by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1314034.

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                    The Materials Project. Materials Data on Mn3Zn by Materials Project.  United States.  doi:https://doi.org/10.17188/1314034

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                    The Materials Project. 2020.  
"Materials Data on Mn3Zn by Materials Project".  United States.  doi:https://doi.org/10.17188/1314034.  https://www.osti.gov/servlets/purl/1314034. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1314034,

  title        = {Materials Data on Mn3Zn by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Mn3Zn is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Mn sites. In the first Mn site, Mn is bonded to eight Mn and four equivalent Zn atoms to form MnMn8Zn4 cuboctahedra that share corners with twelve equivalent MnMn8Zn4 cuboctahedra, edges with eight equivalent ZnMn12 cuboctahedra, edges with sixteen MnMn8Zn4 cuboctahedra, faces with four equivalent ZnMn12 cuboctahedra, and faces with fourteen MnMn8Zn4 cuboctahedra. There are four shorter (2.48 Å) and four longer (2.59 Å) Mn–Mn bond lengths. All Mn–Zn bond lengths are 2.59 Å. In the second Mn site, Mn is bonded to eight equivalent Mn and four equivalent Zn atoms to form MnMn8Zn4 cuboctahedra that share corners with four equivalent MnMn8Zn4 cuboctahedra, corners with eight equivalent ZnMn12 cuboctahedra, edges with twenty-four MnMn8Zn4 cuboctahedra, faces with six equivalent ZnMn12 cuboctahedra, and faces with twelve MnMn8Zn4 cuboctahedra. All Mn–Zn bond lengths are 2.48 Å. Zn is bonded to twelve Mn atoms to form ZnMn12 cuboctahedra that share corners with four equivalent ZnMn12 cuboctahedra, corners with eight equivalent MnMn8Zn4 cuboctahedra, edges with eight equivalent ZnMn12 cuboctahedra, edges with sixteen equivalent MnMn8Zn4 cuboctahedra, faces with four equivalent ZnMn12 cuboctahedra, and faces with fourteen MnMn8Zn4 cuboctahedra.},

  doi          = {10.17188/1314034},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 23 00:00:00 EDT 2020},

  month        = {Thu Jul 23 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1314034

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