Materials Data on Eu2Si3Au by Materials Project

doi:10.17188/1722330

Title: Materials Data on Eu2Si3Au by Materials Project

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Abstract

Eu2AuSi3 is hexagonal omega structure-derived structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Eu+2.50+ is bonded to three equivalent Au1- and nine Si+1.33- atoms to form a mixture of face and edge-sharing EuSi9Au3 cuboctahedra. All Eu–Au bond lengths are 3.28 Å. There are three shorter (3.28 Å) and six longer (3.31 Å) Eu–Si bond lengths. Au1- is bonded in a distorted trigonal planar geometry to six equivalent Eu+2.50+ and three equivalent Si+1.33- atoms. All Au–Si bond lengths are 2.44 Å. There are three inequivalent Si+1.33- sites. In the first Si+1.33- site, Si+1.33- is bonded in a 9-coordinate geometry to six equivalent Eu+2.50+ and three equivalent Si+1.33- atoms. All Si–Si bond lengths are 2.44 Å. In the second Si+1.33- site, Si+1.33- is bonded in a distorted trigonal planar geometry to six equivalent Eu+2.50+ and three equivalent Au1- atoms. In the third Si+1.33- site, Si+1.33- is bonded in a 9-coordinate geometry to six equivalent Eu+2.50+ and three equivalent Si+1.33- atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-04

Other Number(s):: mp-1225441

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; Eu2Si3Au; Au-Eu-Si

OSTI Identifier:: 1722330

DOI:: https://doi.org/10.17188/1722330

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                    The Materials Project. Materials Data on Eu2Si3Au by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1722330.

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                    The Materials Project. Materials Data on Eu2Si3Au by Materials Project.  United States.  doi:https://doi.org/10.17188/1722330

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                    The Materials Project. 2020.  
"Materials Data on Eu2Si3Au by Materials Project".  United States.  doi:https://doi.org/10.17188/1722330.  https://www.osti.gov/servlets/purl/1722330. Pub date:Mon May 04 00:00:00 EDT 2020

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@article{osti_1722330,

  title        = {Materials Data on Eu2Si3Au by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Eu2AuSi3 is hexagonal omega structure-derived structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Eu+2.50+ is bonded to three equivalent Au1- and nine Si+1.33- atoms to form a mixture of face and edge-sharing EuSi9Au3 cuboctahedra. All Eu–Au bond lengths are 3.28 Å. There are three shorter (3.28 Å) and six longer (3.31 Å) Eu–Si bond lengths. Au1- is bonded in a distorted trigonal planar geometry to six equivalent Eu+2.50+ and three equivalent Si+1.33- atoms. All Au–Si bond lengths are 2.44 Å. There are three inequivalent Si+1.33- sites. In the first Si+1.33- site, Si+1.33- is bonded in a 9-coordinate geometry to six equivalent Eu+2.50+ and three equivalent Si+1.33- atoms. All Si–Si bond lengths are 2.44 Å. In the second Si+1.33- site, Si+1.33- is bonded in a distorted trigonal planar geometry to six equivalent Eu+2.50+ and three equivalent Au1- atoms. In the third Si+1.33- site, Si+1.33- is bonded in a 9-coordinate geometry to six equivalent Eu+2.50+ and three equivalent Si+1.33- atoms.},

  doi          = {10.17188/1722330},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1722330

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