Materials Data on ErGa3Os by Materials Project

doi:10.17188/1693078

Title: Materials Data on ErGa3Os by Materials Project

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Abstract

ErOsGa3 crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Er is bonded in a 8-coordinate geometry to four equivalent Os and ten Ga atoms. All Er–Os bond lengths are 3.20 Å. There are eight shorter (2.95 Å) and two longer (3.20 Å) Er–Ga bond lengths. Os is bonded to four equivalent Er and eight equivalent Ga atoms to form distorted OsEr4Ga8 cuboctahedra that share corners with four equivalent OsEr4Ga8 cuboctahedra, edges with four equivalent GaEr6 octahedra, and faces with eight equivalent OsEr4Ga8 cuboctahedra. All Os–Ga bond lengths are 2.66 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded to six equivalent Er atoms to form GaEr6 octahedra that share corners with six equivalent GaEr6 octahedra and edges with twelve equivalent OsEr4Ga8 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. In the second Ga site, Ga is bonded in a 6-coordinate geometry to three equivalent Er, three equivalent Os, and three equivalent Ga atoms. All Ga–Ga bond lengths are 2.71 Å.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1213036

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; ErGa3Os; Er-Ga-Os

OSTI Identifier:: 1693078

DOI:: https://doi.org/10.17188/1693078

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                    The Materials Project. Materials Data on ErGa3Os by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1693078.

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                    The Materials Project. Materials Data on ErGa3Os by Materials Project.  United States.  doi:https://doi.org/10.17188/1693078

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                    The Materials Project. 2020.  
"Materials Data on ErGa3Os by Materials Project".  United States.  doi:https://doi.org/10.17188/1693078.  https://www.osti.gov/servlets/purl/1693078. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1693078,

  title        = {Materials Data on ErGa3Os by Materials Project},

  author       = {The Materials Project},

  abstractNote = {ErOsGa3 crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Er is bonded in a 8-coordinate geometry to four equivalent Os and ten Ga atoms. All Er–Os bond lengths are 3.20 Å. There are eight shorter (2.95 Å) and two longer (3.20 Å) Er–Ga bond lengths. Os is bonded to four equivalent Er and eight equivalent Ga atoms to form distorted OsEr4Ga8 cuboctahedra that share corners with four equivalent OsEr4Ga8 cuboctahedra, edges with four equivalent GaEr6 octahedra, and faces with eight equivalent OsEr4Ga8 cuboctahedra. All Os–Ga bond lengths are 2.66 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded to six equivalent Er atoms to form GaEr6 octahedra that share corners with six equivalent GaEr6 octahedra and edges with twelve equivalent OsEr4Ga8 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. In the second Ga site, Ga is bonded in a 6-coordinate geometry to three equivalent Er, three equivalent Os, and three equivalent Ga atoms. All Ga–Ga bond lengths are 2.71 Å.},

  doi          = {10.17188/1693078},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1693078

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