Materials Data on Mn2Nb by Materials Project

doi:10.17188/1182420

Title: Materials Data on Mn2Nb by Materials Project

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Abstract

NbMn2 is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Nb is bonded in a 12-coordinate geometry to four equivalent Nb and twelve Mn atoms. There are three shorter (2.95 Å) and one longer (2.97 Å) Nb–Nb bond lengths. There are a spread of Nb–Mn bond distances ranging from 2.81–2.83 Å. There are two inequivalent Mn sites. In the first Mn site, Mn is bonded to six equivalent Nb and six Mn atoms to form a mixture of corner, edge, and face-sharing MnMn6Nb6 cuboctahedra. There are a spread of Mn–Mn bond distances ranging from 2.34–2.48 Å. In the second Mn site, Mn is bonded to six equivalent Nb and six equivalent Mn atoms to form a mixture of corner, edge, and face-sharing MnMn6Nb6 cuboctahedra.

Authors:: The Materials Project

Publication Date:: 2020-07-16

Other Number(s):: mp-12659

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; Mn2Nb; Mn-Nb

OSTI Identifier:: 1182420

DOI:: https://doi.org/10.17188/1182420

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                    The Materials Project. Materials Data on Mn2Nb by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1182420.

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                    The Materials Project. Materials Data on Mn2Nb by Materials Project.  United States.  doi:https://doi.org/10.17188/1182420

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                    The Materials Project. 2020.  
"Materials Data on Mn2Nb by Materials Project".  United States.  doi:https://doi.org/10.17188/1182420.  https://www.osti.gov/servlets/purl/1182420. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1182420,

  title        = {Materials Data on Mn2Nb by Materials Project},

  author       = {The Materials Project},

  abstractNote = {NbMn2 is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Nb is bonded in a 12-coordinate geometry to four equivalent Nb and twelve Mn atoms. There are three shorter (2.95 Å) and one longer (2.97 Å) Nb–Nb bond lengths. There are a spread of Nb–Mn bond distances ranging from 2.81–2.83 Å. There are two inequivalent Mn sites. In the first Mn site, Mn is bonded to six equivalent Nb and six Mn atoms to form a mixture of corner, edge, and face-sharing MnMn6Nb6 cuboctahedra. There are a spread of Mn–Mn bond distances ranging from 2.34–2.48 Å. In the second Mn site, Mn is bonded to six equivalent Nb and six equivalent Mn atoms to form a mixture of corner, edge, and face-sharing MnMn6Nb6 cuboctahedra.},

  doi          = {10.17188/1182420},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1182420

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