Materials Data on Yb(AlSi)2 by Materials Project

doi:10.17188/1187094

Title: Materials Data on Yb(AlSi)2 by Materials Project

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Abstract

YbAl2Si2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Yb2+ is bonded to six equivalent Si4- atoms to form YbSi6 octahedra that share corners with twelve equivalent AlSi4 tetrahedra, edges with six equivalent YbSi6 octahedra, and edges with six equivalent AlSi4 tetrahedra. All Yb–Si bond lengths are 3.02 Å. Al3+ is bonded to four equivalent Si4- atoms to form AlSi4 tetrahedra that share corners with six equivalent YbSi6 octahedra, corners with six equivalent AlSi4 tetrahedra, edges with three equivalent YbSi6 octahedra, and edges with three equivalent AlSi4 tetrahedra. The corner-sharing octahedra tilt angles range from 20–52°. There are three shorter (2.51 Å) and one longer (2.61 Å) Al–Si bond lengths. Si4- is bonded to three equivalent Yb2+ and four equivalent Al3+ atoms to form a mixture of distorted edge and corner-sharing SiYb3Al4 pentagonal bipyramids.

Publication Date:: Sun Apr 26 00:00:00 EDT 2020

Other Number(s):: mp-10405

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; Al-Si-Yb; Yb(AlSi)2; crystal structure

OSTI Identifier:: 1187094

DOI:: https://doi.org/10.17188/1187094

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                    Materials Data on Yb(AlSi)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1187094.

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                    Materials Data on Yb(AlSi)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1187094

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                    2020.  
"Materials Data on Yb(AlSi)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1187094.  https://www.osti.gov/servlets/purl/1187094. Pub date:Sun Apr 26 00:00:00 EDT 2020

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@article{osti_1187094,

  title        = {Materials Data on Yb(AlSi)2 by Materials Project},

  
  abstractNote = {YbAl2Si2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Yb2+ is bonded to six equivalent Si4- atoms to form YbSi6 octahedra that share corners with twelve equivalent AlSi4 tetrahedra, edges with six equivalent YbSi6 octahedra, and edges with six equivalent AlSi4 tetrahedra. All Yb–Si bond lengths are 3.02 Å. Al3+ is bonded to four equivalent Si4- atoms to form AlSi4 tetrahedra that share corners with six equivalent YbSi6 octahedra, corners with six equivalent AlSi4 tetrahedra, edges with three equivalent YbSi6 octahedra, and edges with three equivalent AlSi4 tetrahedra. The corner-sharing octahedra tilt angles range from 20–52°. There are three shorter (2.51 Å) and one longer (2.61 Å) Al–Si bond lengths. Si4- is bonded to three equivalent Yb2+ and four equivalent Al3+ atoms to form a mixture of distorted edge and corner-sharing SiYb3Al4 pentagonal bipyramids.},

  doi          = {10.17188/1187094},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sun Apr 26 00:00:00 EDT 2020},

  month        = {Sun Apr 26 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1187094

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