Materials Data on MnZn3 by Materials Project

doi:10.17188/1746340

Title: Materials Data on MnZn3 by Materials Project

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Abstract

MnZn3 crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Mn is bonded to six equivalent Mn and six equivalent Zn atoms to form MnMn6Zn6 cuboctahedra that share corners with six equivalent MnMn6Zn6 cuboctahedra, corners with twelve equivalent ZnZn12 cuboctahedra, edges with six equivalent MnMn6Zn6 cuboctahedra, edges with twelve equivalent ZnMn3Zn9 cuboctahedra, faces with six equivalent MnMn6Zn6 cuboctahedra, and faces with fourteen ZnZn12 cuboctahedra. All Mn–Mn bond lengths are 2.72 Å. All Mn–Zn bond lengths are 2.64 Å. There are two inequivalent Zn sites. In the first Zn site, Zn is bonded to twelve Zn atoms to form ZnZn12 cuboctahedra that share corners with six equivalent ZnZn12 cuboctahedra, corners with twelve equivalent MnMn6Zn6 cuboctahedra, edges with eighteen ZnZn12 cuboctahedra, faces with two equivalent MnMn6Zn6 cuboctahedra, and faces with eighteen ZnZn12 cuboctahedra. There are six shorter (2.72 Å) and six longer (2.76 Å) Zn–Zn bond lengths. In the second Zn site, Zn is bonded to three equivalent Mn and nine Zn atoms to form ZnMn3Zn9 cuboctahedra that share corners with eighteen equivalent ZnMn3Zn9 cuboctahedra, edges with six equivalent MnMn6Zn6 cuboctahedra, edges with twelve ZnZn12 cuboctahedra, faces with six equivalent MnMn6Zn6 cuboctahedra, and faces with fourteen ZnZn12 cuboctahedra. All Zn–Znmore » bond lengths are 2.72 Å.« less

Authors:: The Materials Project

Publication Date:: Sun May 03 00:00:00 EDT 2020

Other Number(s):: mp-1221532

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; MnZn3; Mn-Zn

OSTI Identifier:: 1746340

DOI:: https://doi.org/10.17188/1746340

Citation Formats


                    The Materials Project. Materials Data on MnZn3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1746340.

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                    The Materials Project. Materials Data on MnZn3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1746340

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                    The Materials Project. 2020.  
"Materials Data on MnZn3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1746340.  https://www.osti.gov/servlets/purl/1746340. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1746340,

  title        = {Materials Data on MnZn3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {MnZn3 crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Mn is bonded to six equivalent Mn and six equivalent Zn atoms to form MnMn6Zn6 cuboctahedra that share corners with six equivalent MnMn6Zn6 cuboctahedra, corners with twelve equivalent ZnZn12 cuboctahedra, edges with six equivalent MnMn6Zn6 cuboctahedra, edges with twelve equivalent ZnMn3Zn9 cuboctahedra, faces with six equivalent MnMn6Zn6 cuboctahedra, and faces with fourteen ZnZn12 cuboctahedra. All Mn–Mn bond lengths are 2.72 Å. All Mn–Zn bond lengths are 2.64 Å. There are two inequivalent Zn sites. In the first Zn site, Zn is bonded to twelve Zn atoms to form ZnZn12 cuboctahedra that share corners with six equivalent ZnZn12 cuboctahedra, corners with twelve equivalent MnMn6Zn6 cuboctahedra, edges with eighteen ZnZn12 cuboctahedra, faces with two equivalent MnMn6Zn6 cuboctahedra, and faces with eighteen ZnZn12 cuboctahedra. There are six shorter (2.72 Å) and six longer (2.76 Å) Zn–Zn bond lengths. In the second Zn site, Zn is bonded to three equivalent Mn and nine Zn atoms to form ZnMn3Zn9 cuboctahedra that share corners with eighteen equivalent ZnMn3Zn9 cuboctahedra, edges with six equivalent MnMn6Zn6 cuboctahedra, edges with twelve ZnZn12 cuboctahedra, faces with six equivalent MnMn6Zn6 cuboctahedra, and faces with fourteen ZnZn12 cuboctahedra. All Zn–Zn bond lengths are 2.72 Å.},

  doi          = {10.17188/1746340},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sun May 03 00:00:00 EDT 2020},

  month        = {Sun May 03 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1746340

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