Materials Data on Y(AlGe)2 by Materials Project

doi:10.17188/1187177

Title: Materials Data on Y(AlGe)2 by Materials Project

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Abstract

Al2Ge2Y crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Y is bonded to six equivalent Ge atoms to form distorted YGe6 octahedra that share corners with twelve equivalent AlGe4 tetrahedra, edges with six equivalent YGe6 octahedra, and edges with six equivalent AlGe4 tetrahedra. All Y–Ge bond lengths are 3.01 Å. Al is bonded to four equivalent Ge atoms to form distorted AlGe4 tetrahedra that share corners with six equivalent YGe6 octahedra, corners with six equivalent AlGe4 tetrahedra, edges with three equivalent YGe6 octahedra, and edges with three equivalent AlGe4 tetrahedra. The corner-sharing octahedra tilt angles range from 20–55°. There are three shorter (2.56 Å) and one longer (2.57 Å) Al–Ge bond lengths. Ge is bonded to three equivalent Y and four equivalent Al atoms to form a mixture of distorted edge and corner-sharing GeY3Al4 pentagonal bipyramids.

Authors:: The Materials Project

Publication Date:: Wed Jul 15 00:00:00 EDT 2020

Other Number(s):: mp-10521

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; Y(AlGe)2; Al-Ge-Y

OSTI Identifier:: 1187177

DOI:: https://doi.org/10.17188/1187177

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                    The Materials Project. Materials Data on Y(AlGe)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1187177.

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                    The Materials Project. Materials Data on Y(AlGe)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1187177

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                    The Materials Project. 2020.  
"Materials Data on Y(AlGe)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1187177.  https://www.osti.gov/servlets/purl/1187177. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1187177,

  title        = {Materials Data on Y(AlGe)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Al2Ge2Y crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Y is bonded to six equivalent Ge atoms to form distorted YGe6 octahedra that share corners with twelve equivalent AlGe4 tetrahedra, edges with six equivalent YGe6 octahedra, and edges with six equivalent AlGe4 tetrahedra. All Y–Ge bond lengths are 3.01 Å. Al is bonded to four equivalent Ge atoms to form distorted AlGe4 tetrahedra that share corners with six equivalent YGe6 octahedra, corners with six equivalent AlGe4 tetrahedra, edges with three equivalent YGe6 octahedra, and edges with three equivalent AlGe4 tetrahedra. The corner-sharing octahedra tilt angles range from 20–55°. There are three shorter (2.56 Å) and one longer (2.57 Å) Al–Ge bond lengths. Ge is bonded to three equivalent Y and four equivalent Al atoms to form a mixture of distorted edge and corner-sharing GeY3Al4 pentagonal bipyramids.},

  doi          = {10.17188/1187177},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 15 00:00:00 EDT 2020},

  month        = {Wed Jul 15 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1187177

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