Materials Data on Y2Mg by Materials Project

doi:10.17188/1710815

Title: Materials Data on Y2Mg by Materials Project

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Abstract

MgY2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Mg is bonded in a 6-coordinate geometry to four equivalent Mg and six Y atoms. All Mg–Mg bond lengths are 3.48 Å. There are a spread of Mg–Y bond distances ranging from 3.36–3.39 Å. There are two inequivalent Y sites. In the first Y site, Y is bonded to four equivalent Mg and eight Y atoms to form distorted YY8Mg4 cuboctahedra that share corners with twelve YY10Mg2 cuboctahedra, edges with fifteen YY8Mg4 cuboctahedra, and faces with twelve YY8Mg4 cuboctahedra. There are a spread of Y–Y bond distances ranging from 3.49–3.72 Å. In the second Y site, Y is bonded to two equivalent Mg and ten Y atoms to form a mixture of distorted face, edge, and corner-sharing YY10Mg2 cuboctahedra. There are two shorter (3.49 Å) and two longer (3.72 Å) Y–Y bond lengths.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1094424

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; Y2Mg; Mg-Y

OSTI Identifier:: 1710815

DOI:: https://doi.org/10.17188/1710815

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                    The Materials Project. Materials Data on Y2Mg by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1710815.

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                    The Materials Project. Materials Data on Y2Mg by Materials Project.  United States.  doi:https://doi.org/10.17188/1710815

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                    The Materials Project. 2020.  
"Materials Data on Y2Mg by Materials Project".  United States.  doi:https://doi.org/10.17188/1710815.  https://www.osti.gov/servlets/purl/1710815. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1710815,

  title        = {Materials Data on Y2Mg by Materials Project},

  author       = {The Materials Project},

  abstractNote = {MgY2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Mg is bonded in a 6-coordinate geometry to four equivalent Mg and six Y atoms. All Mg–Mg bond lengths are 3.48 Å. There are a spread of Mg–Y bond distances ranging from 3.36–3.39 Å. There are two inequivalent Y sites. In the first Y site, Y is bonded to four equivalent Mg and eight Y atoms to form distorted YY8Mg4 cuboctahedra that share corners with twelve YY10Mg2 cuboctahedra, edges with fifteen YY8Mg4 cuboctahedra, and faces with twelve YY8Mg4 cuboctahedra. There are a spread of Y–Y bond distances ranging from 3.49–3.72 Å. In the second Y site, Y is bonded to two equivalent Mg and ten Y atoms to form a mixture of distorted face, edge, and corner-sharing YY10Mg2 cuboctahedra. There are two shorter (3.49 Å) and two longer (3.72 Å) Y–Y bond lengths.},

  doi          = {10.17188/1710815},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1710815

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Materials Data on Y2Mg by Materials Project

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