Materials Data on Y2Si3Rh by Materials Project

doi:10.17188/1651793

Title: Materials Data on Y2Si3Rh by Materials Project

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Abstract

Y2RhSi3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Y sites. In the first Y site, Y is bonded to twelve equivalent Si atoms to form YSi12 cuboctahedra that share edges with twelve equivalent YSi8Rh4 cuboctahedra and faces with eight YSi12 cuboctahedra. All Y–Si bond lengths are 3.09 Å. In the second Y site, Y is bonded to four equivalent Rh and eight equivalent Si atoms to form a mixture of distorted edge and face-sharing YSi8Rh4 cuboctahedra. There are two shorter (3.03 Å) and two longer (3.17 Å) Y–Rh bond lengths. There are four shorter (3.04 Å) and four longer (3.13 Å) Y–Si bond lengths. Rh is bonded in a 3-coordinate geometry to six equivalent Y and three equivalent Si atoms. All Rh–Si bond lengths are 2.37 Å. Si is bonded in a 1-coordinate geometry to six Y, one Rh, and two equivalent Si atoms. Both Si–Si bond lengths are 2.37 Å.

Authors:: The Materials Project

Publication Date:: 2020-07-24

Other Number(s):: mp-1190773

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; Y2Si3Rh; Rh-Si-Y

OSTI Identifier:: 1651793

DOI:: https://doi.org/10.17188/1651793

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                    The Materials Project. Materials Data on Y2Si3Rh by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1651793.

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                    The Materials Project. Materials Data on Y2Si3Rh by Materials Project.  United States.  doi:https://doi.org/10.17188/1651793

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                    The Materials Project. 2020.  
"Materials Data on Y2Si3Rh by Materials Project".  United States.  doi:https://doi.org/10.17188/1651793.  https://www.osti.gov/servlets/purl/1651793. Pub date:Fri Jul 24 00:00:00 EDT 2020

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@article{osti_1651793,

  title        = {Materials Data on Y2Si3Rh by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Y2RhSi3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Y sites. In the first Y site, Y is bonded to twelve equivalent Si atoms to form YSi12 cuboctahedra that share edges with twelve equivalent YSi8Rh4 cuboctahedra and faces with eight YSi12 cuboctahedra. All Y–Si bond lengths are 3.09 Å. In the second Y site, Y is bonded to four equivalent Rh and eight equivalent Si atoms to form a mixture of distorted edge and face-sharing YSi8Rh4 cuboctahedra. There are two shorter (3.03 Å) and two longer (3.17 Å) Y–Rh bond lengths. There are four shorter (3.04 Å) and four longer (3.13 Å) Y–Si bond lengths. Rh is bonded in a 3-coordinate geometry to six equivalent Y and three equivalent Si atoms. All Rh–Si bond lengths are 2.37 Å. Si is bonded in a 1-coordinate geometry to six Y, one Rh, and two equivalent Si atoms. Both Si–Si bond lengths are 2.37 Å.},

  doi          = {10.17188/1651793},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1651793

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