Materials Data on Mn3SiW2 by Materials Project

doi:10.17188/1666683

Title: Materials Data on Mn3SiW2 by Materials Project

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Abstract

W2Mn3Si crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. W is bonded in a 12-coordinate geometry to nine equivalent Mn and three equivalent Si atoms. There are three shorter (2.77 Å) and six longer (2.79 Å) W–Mn bond lengths. All W–Si bond lengths are 2.80 Å. Mn is bonded to six equivalent W, four equivalent Mn, and two equivalent Si atoms to form distorted MnMn4Si2W6 cuboctahedra that share corners with four equivalent SiMn6W6 cuboctahedra, corners with fourteen equivalent MnMn4Si2W6 cuboctahedra, edges with six equivalent MnMn4Si2W6 cuboctahedra, faces with six equivalent SiMn6W6 cuboctahedra, and faces with twelve equivalent MnMn4Si2W6 cuboctahedra. There are two shorter (2.32 Å) and two longer (2.46 Å) Mn–Mn bond lengths. Both Mn–Si bond lengths are 2.40 Å. Si is bonded to six equivalent W and six equivalent Mn atoms to form SiMn6W6 cuboctahedra that share corners with twelve equivalent MnMn4Si2W6 cuboctahedra, edges with six equivalent SiMn6W6 cuboctahedra, faces with two equivalent SiMn6W6 cuboctahedra, and faces with eighteen equivalent MnMn4Si2W6 cuboctahedra.

Authors:: The Materials Project

Publication Date:: Wed Jul 22 00:00:00 EDT 2020

Other Number(s):: mp-1221815

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; Mn3SiW2; Mn-Si-W

OSTI Identifier:: 1666683

DOI:: https://doi.org/10.17188/1666683

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                    The Materials Project. Materials Data on Mn3SiW2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1666683.

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                    The Materials Project. Materials Data on Mn3SiW2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1666683

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                    The Materials Project. 2020.  
"Materials Data on Mn3SiW2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1666683.  https://www.osti.gov/servlets/purl/1666683. Pub date:Wed Jul 22 00:00:00 EDT 2020

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@article{osti_1666683,

  title        = {Materials Data on Mn3SiW2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {W2Mn3Si crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. W is bonded in a 12-coordinate geometry to nine equivalent Mn and three equivalent Si atoms. There are three shorter (2.77 Å) and six longer (2.79 Å) W–Mn bond lengths. All W–Si bond lengths are 2.80 Å. Mn is bonded to six equivalent W, four equivalent Mn, and two equivalent Si atoms to form distorted MnMn4Si2W6 cuboctahedra that share corners with four equivalent SiMn6W6 cuboctahedra, corners with fourteen equivalent MnMn4Si2W6 cuboctahedra, edges with six equivalent MnMn4Si2W6 cuboctahedra, faces with six equivalent SiMn6W6 cuboctahedra, and faces with twelve equivalent MnMn4Si2W6 cuboctahedra. There are two shorter (2.32 Å) and two longer (2.46 Å) Mn–Mn bond lengths. Both Mn–Si bond lengths are 2.40 Å. Si is bonded to six equivalent W and six equivalent Mn atoms to form SiMn6W6 cuboctahedra that share corners with twelve equivalent MnMn4Si2W6 cuboctahedra, edges with six equivalent SiMn6W6 cuboctahedra, faces with two equivalent SiMn6W6 cuboctahedra, and faces with eighteen equivalent MnMn4Si2W6 cuboctahedra.},

  doi          = {10.17188/1666683},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 22 00:00:00 EDT 2020},

  month        = {Wed Jul 22 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1666683

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