Materials Data on MgNi3B2 by Materials Project

doi:10.17188/1276253

Title: Materials Data on MgNi3B2 by Materials Project

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Abstract

MgNi3B2 crystallizes in the hexagonal P6_422 space group. The structure is three-dimensional. Mg2+ is bonded in a square co-planar geometry to four equivalent B3- atoms. All Mg–B bond lengths are 2.62 Å. There are two inequivalent Ni+1.33+ sites. In the first Ni+1.33+ site, Ni+1.33+ is bonded in a 4-coordinate geometry to four equivalent B3- atoms. There are two shorter (2.01 Å) and two longer (2.05 Å) Ni–B bond lengths. In the second Ni+1.33+ site, Ni+1.33+ is bonded in a square co-planar geometry to four equivalent B3- atoms. All Ni–B bond lengths are 2.23 Å. B3- is bonded in a 9-coordinate geometry to two equivalent Mg2+, six Ni+1.33+, and one B3- atom. The B–B bond length is 1.89 Å.

Authors:: The Materials Project

Publication Date:: Tue Jul 14 00:00:00 EDT 2020

Other Number(s):: mp-571428

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; MgNi3B2; B-Mg-Ni

OSTI Identifier:: 1276253

DOI:: https://doi.org/10.17188/1276253

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                    The Materials Project. Materials Data on MgNi3B2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1276253.

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                    The Materials Project. Materials Data on MgNi3B2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1276253

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                    The Materials Project. 2020.  
"Materials Data on MgNi3B2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1276253.  https://www.osti.gov/servlets/purl/1276253. Pub date:Tue Jul 14 00:00:00 EDT 2020

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@article{osti_1276253,

  title        = {Materials Data on MgNi3B2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {MgNi3B2 crystallizes in the hexagonal P6_422 space group. The structure is three-dimensional. Mg2+ is bonded in a square co-planar geometry to four equivalent B3- atoms. All Mg–B bond lengths are 2.62 Å. There are two inequivalent Ni+1.33+ sites. In the first Ni+1.33+ site, Ni+1.33+ is bonded in a 4-coordinate geometry to four equivalent B3- atoms. There are two shorter (2.01 Å) and two longer (2.05 Å) Ni–B bond lengths. In the second Ni+1.33+ site, Ni+1.33+ is bonded in a square co-planar geometry to four equivalent B3- atoms. All Ni–B bond lengths are 2.23 Å. B3- is bonded in a 9-coordinate geometry to two equivalent Mg2+, six Ni+1.33+, and one B3- atom. The B–B bond length is 1.89 Å.},

  doi          = {10.17188/1276253},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Tue Jul 14 00:00:00 EDT 2020},

  month        = {Tue Jul 14 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1276253

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