Materials Data on Ho(AlSi)2 by Materials Project

doi:10.17188/1685256

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

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Abstract

Ho(AlSi)2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Ho is bonded to six equivalent Si atoms to form distorted HoSi6 octahedra that share corners with twelve equivalent AlSi4 tetrahedra, edges with six equivalent HoSi6 octahedra, and edges with six equivalent AlSi4 tetrahedra. All Ho–Si bond lengths are 2.96 Å. Al is bonded to four equivalent Si atoms to form distorted AlSi4 tetrahedra that share corners with six equivalent HoSi6 octahedra, corners with six equivalent AlSi4 tetrahedra, edges with three equivalent HoSi6 octahedra, and edges with three equivalent AlSi4 tetrahedra. The corner-sharing octahedra tilt angles range from 20–55°. There are three shorter (2.51 Å) and one longer (2.52 Å) Al–Si bond lengths. Si is bonded to three equivalent Ho and four equivalent Al atoms to form a mixture of distorted edge and corner-sharing SiHo3Al4 pentagonal bipyramids.

Publication Date:: 2019-01-12

Other Number(s):: mp-1206416

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-Ho-Si; Ho(AlSi)2; crystal structure

OSTI Identifier:: 1685256

DOI:: https://doi.org/10.17188/1685256

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                    Materials Data on Ho(AlSi)2 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1685256.

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                    Materials Data on Ho(AlSi)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1685256

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                    2019.  
"Materials Data on Ho(AlSi)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1685256.  https://www.osti.gov/servlets/purl/1685256. Pub date:Sat Jan 12 04:00:00 UTC 2019

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@article{osti_1685256,

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

  
  abstractNote = {Ho(AlSi)2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Ho is bonded to six equivalent Si atoms to form distorted HoSi6 octahedra that share corners with twelve equivalent AlSi4 tetrahedra, edges with six equivalent HoSi6 octahedra, and edges with six equivalent AlSi4 tetrahedra. All Ho–Si bond lengths are 2.96 Å. Al is bonded to four equivalent Si atoms to form distorted AlSi4 tetrahedra that share corners with six equivalent HoSi6 octahedra, corners with six equivalent AlSi4 tetrahedra, edges with three equivalent HoSi6 octahedra, and edges with three equivalent AlSi4 tetrahedra. The corner-sharing octahedra tilt angles range from 20–55°. There are three shorter (2.51 Å) and one longer (2.52 Å) Al–Si bond lengths. Si is bonded to three equivalent Ho and four equivalent Al atoms to form a mixture of distorted edge and corner-sharing SiHo3Al4 pentagonal bipyramids.},

  doi          = {10.17188/1685256},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

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DOI: https://doi.org/10.17188/1685256

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