Materials Data on ScMn2 by Materials Project

doi:10.17188/1195519

Title: Materials Data on ScMn2 by Materials Project

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Abstract

Mn2Sc is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Sc is bonded in a 12-coordinate geometry to four equivalent Sc and twelve Mn atoms. There are three shorter (3.00 Å) and one longer (3.01 Å) Sc–Sc bond lengths. All Sc–Mn bond lengths are 2.87 Å. There are two inequivalent Mn sites. In the first Mn site, Mn is bonded to six equivalent Sc and six equivalent Mn atoms to form a mixture of face, edge, and corner-sharing MnSc6Mn6 cuboctahedra. All Mn–Mn bond lengths are 2.48 Å. In the second Mn site, Mn is bonded to six equivalent Sc and six Mn atoms to form a mixture of face, edge, and corner-sharing MnSc6Mn6 cuboctahedra. There are two shorter (2.38 Å) and two longer (2.51 Å) Mn–Mn bond lengths.

Authors:: The Materials Project

Publication Date:: Wed May 10 00:00:00 EDT 2017

Other Number(s):: mp-2039

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; ScMn2; Mn-Sc

OSTI Identifier:: 1195519

DOI:: https://doi.org/10.17188/1195519

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                    The Materials Project. Materials Data on ScMn2 by Materials Project.  United States: N. p., 2017. 
        Web.  doi:10.17188/1195519.

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                    The Materials Project. Materials Data on ScMn2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1195519

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                    The Materials Project. 2017.  
"Materials Data on ScMn2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1195519.  https://www.osti.gov/servlets/purl/1195519. Pub date:Wed May 10 00:00:00 EDT 2017

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@article{osti_1195519,

  title        = {Materials Data on ScMn2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Mn2Sc is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Sc is bonded in a 12-coordinate geometry to four equivalent Sc and twelve Mn atoms. There are three shorter (3.00 Å) and one longer (3.01 Å) Sc–Sc bond lengths. All Sc–Mn bond lengths are 2.87 Å. There are two inequivalent Mn sites. In the first Mn site, Mn is bonded to six equivalent Sc and six equivalent Mn atoms to form a mixture of face, edge, and corner-sharing MnSc6Mn6 cuboctahedra. All Mn–Mn bond lengths are 2.48 Å. In the second Mn site, Mn is bonded to six equivalent Sc and six Mn atoms to form a mixture of face, edge, and corner-sharing MnSc6Mn6 cuboctahedra. There are two shorter (2.38 Å) and two longer (2.51 Å) Mn–Mn bond lengths.},

  doi          = {10.17188/1195519},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed May 10 00:00:00 EDT 2017},

  month        = {Wed May 10 00:00:00 EDT 2017}

}

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DOI: https://doi.org/10.17188/1195519

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