Materials Data on Y2AlGe3 by Materials Project

doi:10.17188/1203049

Title: Materials Data on Y2AlGe3 by Materials Project

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Abstract

Y2AlGe3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Y sites. In the first Y site, Y is bonded in a 7-coordinate geometry to two equivalent Al and nine Ge atoms. Both Y–Al bond lengths are 3.35 Å. There are a spread of Y–Ge bond distances ranging from 2.97–3.34 Å. In the second Y site, Y is bonded in a 7-coordinate geometry to seven Ge atoms. There are a spread of Y–Ge bond distances ranging from 2.97–3.06 Å. Al is bonded to two equivalent Y and four Ge atoms to form distorted edge-sharing AlY2Ge4 tetrahedra. There are three shorter (2.57 Å) and one longer (2.70 Å) Al–Ge bond lengths. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 8-coordinate geometry to six Y and two equivalent Ge atoms. There are one shorter (2.58 Å) and one longer (2.69 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a 9-coordinate geometry to six Y, one Al, and two equivalent Ge atoms. In the third Ge site, Ge is bonded in a 7-coordinate geometry to four Y and three equivalent Al atoms.

Authors:: The Materials Project

Publication Date:: Mon Jul 20 00:00:00 EDT 2020

Other Number(s):: mp-28997

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; Y2AlGe3; Al-Ge-Y

OSTI Identifier:: 1203049

DOI:: https://doi.org/10.17188/1203049

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                    The Materials Project. Materials Data on Y2AlGe3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1203049.

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                    The Materials Project. Materials Data on Y2AlGe3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1203049

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                    The Materials Project. 2020.  
"Materials Data on Y2AlGe3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1203049.  https://www.osti.gov/servlets/purl/1203049. Pub date:Mon Jul 20 00:00:00 EDT 2020

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@article{osti_1203049,

  title        = {Materials Data on Y2AlGe3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Y2AlGe3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Y sites. In the first Y site, Y is bonded in a 7-coordinate geometry to two equivalent Al and nine Ge atoms. Both Y–Al bond lengths are 3.35 Å. There are a spread of Y–Ge bond distances ranging from 2.97–3.34 Å. In the second Y site, Y is bonded in a 7-coordinate geometry to seven Ge atoms. There are a spread of Y–Ge bond distances ranging from 2.97–3.06 Å. Al is bonded to two equivalent Y and four Ge atoms to form distorted edge-sharing AlY2Ge4 tetrahedra. There are three shorter (2.57 Å) and one longer (2.70 Å) Al–Ge bond lengths. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 8-coordinate geometry to six Y and two equivalent Ge atoms. There are one shorter (2.58 Å) and one longer (2.69 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a 9-coordinate geometry to six Y, one Al, and two equivalent Ge atoms. In the third Ge site, Ge is bonded in a 7-coordinate geometry to four Y and three equivalent Al atoms.},

  doi          = {10.17188/1203049},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Mon Jul 20 00:00:00 EDT 2020},

  month        = {Mon Jul 20 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1203049

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