Materials Data on Mn2(Ni7B2)3 by Materials Project

doi:10.17188/1732577

Title: Materials Data on Mn2(Ni7B2)3 by Materials Project

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Abstract

Mn2(Ni7B2)3 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Mn is bonded in a distorted tetrahedral geometry to four equivalent Ni atoms. All Mn–Ni bond lengths are 2.36 Å. There are three inequivalent Ni sites. In the first Ni site, Ni is bonded in a cuboctahedral geometry to twelve equivalent Ni atoms. All Ni–Ni bond lengths are 2.50 Å. In the second Ni site, Ni is bonded to one Mn and three equivalent B atoms to form a mixture of edge and corner-sharing NiMnB3 tetrahedra. All Ni–B bond lengths are 2.10 Å. In the third Ni site, Ni is bonded in a distorted bent 150 degrees geometry to one Ni and two equivalent B atoms. Both Ni–B bond lengths are 2.05 Å. B is bonded in a 8-coordinate geometry to eight Ni atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1193061

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; Mn2(Ni7B2)3; B-Mn-Ni

OSTI Identifier:: 1732577

DOI:: https://doi.org/10.17188/1732577

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                    The Materials Project. Materials Data on Mn2(Ni7B2)3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1732577.

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                    The Materials Project. Materials Data on Mn2(Ni7B2)3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1732577

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                    The Materials Project. 2020.  
"Materials Data on Mn2(Ni7B2)3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1732577.  https://www.osti.gov/servlets/purl/1732577. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1732577,

  title        = {Materials Data on Mn2(Ni7B2)3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Mn2(Ni7B2)3 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Mn is bonded in a distorted tetrahedral geometry to four equivalent Ni atoms. All Mn–Ni bond lengths are 2.36 Å. There are three inequivalent Ni sites. In the first Ni site, Ni is bonded in a cuboctahedral geometry to twelve equivalent Ni atoms. All Ni–Ni bond lengths are 2.50 Å. In the second Ni site, Ni is bonded to one Mn and three equivalent B atoms to form a mixture of edge and corner-sharing NiMnB3 tetrahedra. All Ni–B bond lengths are 2.10 Å. In the third Ni site, Ni is bonded in a distorted bent 150 degrees geometry to one Ni and two equivalent B atoms. Both Ni–B bond lengths are 2.05 Å. B is bonded in a 8-coordinate geometry to eight Ni atoms.},

  doi          = {10.17188/1732577},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1732577

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