Materials Data on Sc2MnC by Materials Project

doi:10.17188/1317515

Title: Materials Data on Sc2MnC by Materials Project

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Abstract

Sc2MnC crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are two inequivalent Sc sites. In the first Sc site, Sc is bonded to four equivalent Sc and four equivalent C atoms to form distorted edge-sharing ScSc4C4 tetrahedra. All Sc–Sc bond lengths are 2.56 Å. All Sc–C bond lengths are 2.56 Å. In the second Sc site, Sc is bonded in a 4-coordinate geometry to four equivalent Sc, four equivalent Mn, and six equivalent C atoms. All Sc–Mn bond lengths are 2.56 Å. All Sc–C bond lengths are 2.96 Å. Mn is bonded in a distorted body-centered cubic geometry to four equivalent Sc and four equivalent C atoms. All Mn–C bond lengths are 2.56 Å. C is bonded in a distorted body-centered cubic geometry to ten Sc and four equivalent Mn atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-23

Other Number(s):: mp-999256

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; Sc2MnC; C-Mn-Sc

OSTI Identifier:: 1317515

DOI:: https://doi.org/10.17188/1317515

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                    The Materials Project. Materials Data on Sc2MnC by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1317515.

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                    The Materials Project. Materials Data on Sc2MnC by Materials Project.  United States.  doi:https://doi.org/10.17188/1317515

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                    The Materials Project. 2020.  
"Materials Data on Sc2MnC by Materials Project".  United States.  doi:https://doi.org/10.17188/1317515.  https://www.osti.gov/servlets/purl/1317515. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1317515,

  title        = {Materials Data on Sc2MnC by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Sc2MnC crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are two inequivalent Sc sites. In the first Sc site, Sc is bonded to four equivalent Sc and four equivalent C atoms to form distorted edge-sharing ScSc4C4 tetrahedra. All Sc–Sc bond lengths are 2.56 Å. All Sc–C bond lengths are 2.56 Å. In the second Sc site, Sc is bonded in a 4-coordinate geometry to four equivalent Sc, four equivalent Mn, and six equivalent C atoms. All Sc–Mn bond lengths are 2.56 Å. All Sc–C bond lengths are 2.96 Å. Mn is bonded in a distorted body-centered cubic geometry to four equivalent Sc and four equivalent C atoms. All Mn–C bond lengths are 2.56 Å. C is bonded in a distorted body-centered cubic geometry to ten Sc and four equivalent Mn atoms.},

  doi          = {10.17188/1317515},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1317515

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