Materials Data on LaY(MnSi)4 by Materials Project

doi:10.17188/1681728

Title: Materials Data on LaY(MnSi)4 by Materials Project

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Abstract

LaY(MnSi)4 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. La3+ is bonded in a body-centered cubic geometry to eight equivalent Si4- atoms. All La–Si bond lengths are 3.12 Å. Y3+ is bonded in a distorted body-centered cubic geometry to eight equivalent Si4- atoms. All Y–Si bond lengths are 3.06 Å. Mn+2.50+ is bonded to four Si4- atoms to form a mixture of edge and corner-sharing MnSi4 tetrahedra. There are two shorter (2.37 Å) and two longer (2.38 Å) Mn–Si bond lengths. There are two inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 9-coordinate geometry to four equivalent La3+, four equivalent Mn+2.50+, and one Si4- atom. The Si–Si bond length is 2.75 Å. In the second Si4- site, Si4- is bonded in a 9-coordinate geometry to four equivalent Y3+, four equivalent Mn+2.50+, and one Si4- atom. The Si–Si bond length is 2.50 Å.

Publication Date:: 2020-05-02

Other Number(s):: mp-1222755

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; La-Mn-Si-Y; LaY(MnSi)4; crystal structure

OSTI Identifier:: 1681728

DOI:: https://doi.org/10.17188/1681728

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                    Materials Data on LaY(MnSi)4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1681728.

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                    Materials Data on LaY(MnSi)4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1681728

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                    2020.  
"Materials Data on LaY(MnSi)4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1681728.  https://www.osti.gov/servlets/purl/1681728. Pub date:Sat May 02 04:00:00 UTC 2020

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@article{osti_1681728,

  title        = {Materials Data on LaY(MnSi)4 by Materials Project},

  
  abstractNote = {LaY(MnSi)4 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. La3+ is bonded in a body-centered cubic geometry to eight equivalent Si4- atoms. All La–Si bond lengths are 3.12 Å. Y3+ is bonded in a distorted body-centered cubic geometry to eight equivalent Si4- atoms. All Y–Si bond lengths are 3.06 Å. Mn+2.50+ is bonded to four Si4- atoms to form a mixture of edge and corner-sharing MnSi4 tetrahedra. There are two shorter (2.37 Å) and two longer (2.38 Å) Mn–Si bond lengths. There are two inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 9-coordinate geometry to four equivalent La3+, four equivalent Mn+2.50+, and one Si4- atom. The Si–Si bond length is 2.75 Å. In the second Si4- site, Si4- is bonded in a 9-coordinate geometry to four equivalent Y3+, four equivalent Mn+2.50+, and one Si4- atom. The Si–Si bond length is 2.50 Å.},

  doi          = {10.17188/1681728},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1681728

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