Materials Data on TbGa3Ru by Materials Project

doi:10.17188/1715105

Title: Materials Data on TbGa3Ru by Materials Project

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Abstract

TbRuGa3 crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Tb is bonded in a 8-coordinate geometry to four equivalent Ru and ten Ga atoms. All Tb–Ru bond lengths are 3.23 Å. There are eight shorter (2.98 Å) and two longer (3.23 Å) Tb–Ga bond lengths. Ru is bonded to four equivalent Tb and eight equivalent Ga atoms to form distorted RuTb4Ga8 cuboctahedra that share corners with four equivalent RuTb4Ga8 cuboctahedra, edges with four equivalent GaTb6 octahedra, and faces with eight equivalent RuTb4Ga8 cuboctahedra. All Ru–Ga bond lengths are 2.68 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded to six equivalent Tb atoms to form GaTb6 octahedra that share corners with six equivalent GaTb6 octahedra and edges with twelve equivalent RuTb4Ga8 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. In the second Ga site, Ga is bonded in a 9-coordinate geometry to three equivalent Tb, three equivalent Ru, and three equivalent Ga atoms. All Ga–Ga bond lengths are 2.72 Å.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1104461

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; TbGa3Ru; Ga-Ru-Tb

OSTI Identifier:: 1715105

DOI:: https://doi.org/10.17188/1715105

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                    The Materials Project. Materials Data on TbGa3Ru by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1715105.

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                    The Materials Project. Materials Data on TbGa3Ru by Materials Project.  United States.  doi:https://doi.org/10.17188/1715105

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                    The Materials Project. 2020.  
"Materials Data on TbGa3Ru by Materials Project".  United States.  doi:https://doi.org/10.17188/1715105.  https://www.osti.gov/servlets/purl/1715105. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1715105,

  title        = {Materials Data on TbGa3Ru by Materials Project},

  author       = {The Materials Project},

  abstractNote = {TbRuGa3 crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Tb is bonded in a 8-coordinate geometry to four equivalent Ru and ten Ga atoms. All Tb–Ru bond lengths are 3.23 Å. There are eight shorter (2.98 Å) and two longer (3.23 Å) Tb–Ga bond lengths. Ru is bonded to four equivalent Tb and eight equivalent Ga atoms to form distorted RuTb4Ga8 cuboctahedra that share corners with four equivalent RuTb4Ga8 cuboctahedra, edges with four equivalent GaTb6 octahedra, and faces with eight equivalent RuTb4Ga8 cuboctahedra. All Ru–Ga bond lengths are 2.68 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded to six equivalent Tb atoms to form GaTb6 octahedra that share corners with six equivalent GaTb6 octahedra and edges with twelve equivalent RuTb4Ga8 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. In the second Ga site, Ga is bonded in a 9-coordinate geometry to three equivalent Tb, three equivalent Ru, and three equivalent Ga atoms. All Ga–Ga bond lengths are 2.72 Å.},

  doi          = {10.17188/1715105},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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