Materials Data on MnSiNi by Materials Project

doi:10.17188/1196140

Title: Materials Data on MnSiNi by Materials Project

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Abstract

MnNiSi crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Mn2+ is bonded to five equivalent Si4- atoms to form distorted MnSi5 trigonal bipyramids that share corners with eight equivalent NiSi4 tetrahedra, corners with eight equivalent MnSi5 trigonal bipyramids, edges with six equivalent NiSi4 tetrahedra, and edges with six equivalent MnSi5 trigonal bipyramids. There are three shorter (2.47 Å) and two longer (2.56 Å) Mn–Si bond lengths. Ni2+ is bonded to four equivalent Si4- atoms to form NiSi4 tetrahedra that share corners with eight equivalent NiSi4 tetrahedra, corners with eight equivalent MnSi5 trigonal bipyramids, edges with two equivalent NiSi4 tetrahedra, and edges with six equivalent MnSi5 trigonal bipyramids. There are a spread of Ni–Si bond distances ranging from 2.25–2.30 Å. Si4- is bonded in a 9-coordinate geometry to five equivalent Mn2+ and four equivalent Ni2+ atoms.

Authors:: The Materials Project

Publication Date:: Thu Jul 16 00:00:00 EDT 2020

Other Number(s):: mp-20949

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; MnSiNi; Mn-Ni-Si

OSTI Identifier:: 1196140

DOI:: https://doi.org/10.17188/1196140

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                    The Materials Project. Materials Data on MnSiNi by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1196140.

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                    The Materials Project. Materials Data on MnSiNi by Materials Project.  United States.  doi:https://doi.org/10.17188/1196140

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                    The Materials Project. 2020.  
"Materials Data on MnSiNi by Materials Project".  United States.  doi:https://doi.org/10.17188/1196140.  https://www.osti.gov/servlets/purl/1196140. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1196140,

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

  author       = {The Materials Project},

  abstractNote = {MnNiSi crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Mn2+ is bonded to five equivalent Si4- atoms to form distorted MnSi5 trigonal bipyramids that share corners with eight equivalent NiSi4 tetrahedra, corners with eight equivalent MnSi5 trigonal bipyramids, edges with six equivalent NiSi4 tetrahedra, and edges with six equivalent MnSi5 trigonal bipyramids. There are three shorter (2.47 Å) and two longer (2.56 Å) Mn–Si bond lengths. Ni2+ is bonded to four equivalent Si4- atoms to form NiSi4 tetrahedra that share corners with eight equivalent NiSi4 tetrahedra, corners with eight equivalent MnSi5 trigonal bipyramids, edges with two equivalent NiSi4 tetrahedra, and edges with six equivalent MnSi5 trigonal bipyramids. There are a spread of Ni–Si bond distances ranging from 2.25–2.30 Å. Si4- is bonded in a 9-coordinate geometry to five equivalent Mn2+ and four equivalent Ni2+ atoms.},

  doi          = {10.17188/1196140},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 16 00:00:00 EDT 2020},

  month        = {Thu Jul 16 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1196140

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