Materials Data on LaCe(MnSi)4 by Materials Project

doi:10.17188/1718594

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

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Abstract

CeLa(MnSi)4 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Ce3+ is bonded in a body-centered cubic geometry to eight equivalent Si4- atoms. All Ce–Si bond lengths are 3.09 Å. La3+ is bonded in a body-centered cubic geometry to eight equivalent Si4- atoms. All La–Si bond lengths are 3.12 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 (2.38 Å) and two longer (2.39 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 Ce3+, four equivalent Mn+2.50+, and one Si4- atom. The Si–Si bond length is 2.55 Å. In the second 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 2.72 Å.

Authors:: The Materials Project

Publication Date:: Fri Jun 05 00:00:00 EDT 2020

Other Number(s):: mp-1222964

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; LaCe(MnSi)4; Ce-La-Mn-Si

OSTI Identifier:: 1718594

DOI:: https://doi.org/10.17188/1718594

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                    The Materials Project. Materials Data on LaCe(MnSi)4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1718594.

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                    The Materials Project. Materials Data on LaCe(MnSi)4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1718594

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                    The Materials Project. 2020.  
"Materials Data on LaCe(MnSi)4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1718594.  https://www.osti.gov/servlets/purl/1718594. Pub date:Fri Jun 05 00:00:00 EDT 2020

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@article{osti_1718594,

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

  author       = {The Materials Project},

  abstractNote = {CeLa(MnSi)4 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Ce3+ is bonded in a body-centered cubic geometry to eight equivalent Si4- atoms. All Ce–Si bond lengths are 3.09 Å. La3+ is bonded in a body-centered cubic geometry to eight equivalent Si4- atoms. All La–Si bond lengths are 3.12 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 (2.38 Å) and two longer (2.39 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 Ce3+, four equivalent Mn+2.50+, and one Si4- atom. The Si–Si bond length is 2.55 Å. In the second 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 2.72 Å.},

  doi          = {10.17188/1718594},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Fri Jun 05 00:00:00 EDT 2020},

  month        = {Fri Jun 05 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1718594

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