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.

Authors:: The Materials Project

Publication Date:: 2020-04-26

Other Number(s):: mp-10405

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

OSTI Identifier:: 1187094

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

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

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

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                    The Materials Project. 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},

  author       = {The 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         = {2020},

  month        = {4}

}

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

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