Materials Data on ZrMnSi by Materials Project

doi:10.17188/1197442

Title: Materials Data on ZrMnSi by Materials Project

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Abstract

ZrMnSi crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Zr2+ is bonded to five equivalent Si4- atoms to form distorted ZrSi5 trigonal bipyramids that share corners with eight equivalent MnSi4 tetrahedra, corners with eight equivalent ZrSi5 trigonal bipyramids, edges with six equivalent MnSi4 tetrahedra, and edges with six equivalent ZrSi5 trigonal bipyramids. There are a spread of Zr–Si bond distances ranging from 2.73–2.82 Å. Mn2+ is bonded to four equivalent Si4- atoms to form MnSi4 tetrahedra that share corners with eight equivalent MnSi4 tetrahedra, corners with eight equivalent ZrSi5 trigonal bipyramids, edges with two equivalent MnSi4 tetrahedra, and edges with six equivalent ZrSi5 trigonal bipyramids. There are a spread of Mn–Si bond distances ranging from 2.40–2.57 Å. Si4- is bonded in a 9-coordinate geometry to five equivalent Zr2+ and four equivalent Mn2+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-16

Other Number(s):: mp-22227

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; ZrMnSi; Mn-Si-Zr

OSTI Identifier:: 1197442

DOI:: https://doi.org/10.17188/1197442

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                    The Materials Project. Materials Data on ZrMnSi by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1197442.

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                    The Materials Project. Materials Data on ZrMnSi by Materials Project.  United States.  doi:https://doi.org/10.17188/1197442

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                    The Materials Project. 2020.  
"Materials Data on ZrMnSi by Materials Project".  United States.  doi:https://doi.org/10.17188/1197442.  https://www.osti.gov/servlets/purl/1197442. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1197442,

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

  author       = {The Materials Project},

  abstractNote = {ZrMnSi crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Zr2+ is bonded to five equivalent Si4- atoms to form distorted ZrSi5 trigonal bipyramids that share corners with eight equivalent MnSi4 tetrahedra, corners with eight equivalent ZrSi5 trigonal bipyramids, edges with six equivalent MnSi4 tetrahedra, and edges with six equivalent ZrSi5 trigonal bipyramids. There are a spread of Zr–Si bond distances ranging from 2.73–2.82 Å. Mn2+ is bonded to four equivalent Si4- atoms to form MnSi4 tetrahedra that share corners with eight equivalent MnSi4 tetrahedra, corners with eight equivalent ZrSi5 trigonal bipyramids, edges with two equivalent MnSi4 tetrahedra, and edges with six equivalent ZrSi5 trigonal bipyramids. There are a spread of Mn–Si bond distances ranging from 2.40–2.57 Å. Si4- is bonded in a 9-coordinate geometry to five equivalent Zr2+ and four equivalent Mn2+ atoms.},

  doi          = {10.17188/1197442},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1197442

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