Materials Data on Mn20(WC2)3 by Materials Project

doi:10.17188/1698912

Title: Materials Data on Mn20(WC2)3 by Materials Project

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Abstract

Mn20(WC2)3 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent W sites. In the first W site, W is bonded in a cuboctahedral geometry to twelve equivalent Mn atoms. All W–Mn bond lengths are 2.54 Å. In the second W site, W is bonded in a distorted tetrahedral geometry to four equivalent Mn atoms. All W–Mn bond lengths are 2.45 Å. There are two inequivalent Mn sites. In the first Mn site, Mn is bonded to one W and three equivalent C atoms to form a mixture of distorted edge and corner-sharing MnWC3 tetrahedra. All Mn–C bond lengths are 2.08 Å. In the second Mn site, Mn is bonded in a distorted bent 150 degrees geometry to one W and two equivalent C atoms. Both Mn–C bond lengths are 2.10 Å. C is bonded in a 8-coordinate geometry to eight Mn atoms.

Publication Date:: 2020-06-05

Other Number(s):: mp-1193083

DOE Contract Number:: AC02-05CH11231

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; C-Mn-W; Mn20(WC2)3; crystal structure

OSTI Identifier:: 1698912

DOI:: https://doi.org/10.17188/1698912

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                    Materials Data on Mn20(WC2)3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1698912.

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                    Materials Data on Mn20(WC2)3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1698912

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                    2020.  
"Materials Data on Mn20(WC2)3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1698912.  https://www.osti.gov/servlets/purl/1698912. Pub date:Fri Jun 05 00:00:00 EDT 2020

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@article{osti_1698912,

  title        = {Materials Data on Mn20(WC2)3 by Materials Project},

  
  abstractNote = {Mn20(WC2)3 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent W sites. In the first W site, W is bonded in a cuboctahedral geometry to twelve equivalent Mn atoms. All W–Mn bond lengths are 2.54 Å. In the second W site, W is bonded in a distorted tetrahedral geometry to four equivalent Mn atoms. All W–Mn bond lengths are 2.45 Å. There are two inequivalent Mn sites. In the first Mn site, Mn is bonded to one W and three equivalent C atoms to form a mixture of distorted edge and corner-sharing MnWC3 tetrahedra. All Mn–C bond lengths are 2.08 Å. In the second Mn site, Mn is bonded in a distorted bent 150 degrees geometry to one W and two equivalent C atoms. Both Mn–C bond lengths are 2.10 Å. C is bonded in a 8-coordinate geometry to eight Mn atoms.},

  doi          = {10.17188/1698912},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {6}

}

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DOI: https://doi.org/10.17188/1698912

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