Materials Data on TmGa3Ru by Materials Project

doi:10.17188/1192500

Title: Materials Data on TmGa3Ru by Materials Project

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Abstract

TmRuGa3 crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Tm is bonded in a 8-coordinate geometry to four equivalent Ru and ten Ga atoms. All Tm–Ru bond lengths are 3.20 Å. There are eight shorter (2.93 Å) and two longer (3.20 Å) Tm–Ga bond lengths. Ru is bonded to four equivalent Tm and eight equivalent Ga atoms to form distorted RuTm4Ga8 cuboctahedra that share corners with four equivalent RuTm4Ga8 cuboctahedra, edges with four equivalent GaTm6 octahedra, and faces with eight equivalent RuTm4Ga8 cuboctahedra. All Ru–Ga bond lengths are 2.66 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded to six equivalent Tm atoms to form GaTm6 octahedra that share corners with six equivalent GaTm6 octahedra and edges with twelve equivalent RuTm4Ga8 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 Tm and three equivalent Ru atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-15

Other Number(s):: mp-17424

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; TmGa3Ru; Ga-Ru-Tm

OSTI Identifier:: 1192500

DOI:: https://doi.org/10.17188/1192500

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                    The Materials Project. Materials Data on TmGa3Ru by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1192500.

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                    The Materials Project. Materials Data on TmGa3Ru by Materials Project.  United States.  doi:https://doi.org/10.17188/1192500

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                    The Materials Project. 2020.  
"Materials Data on TmGa3Ru by Materials Project".  United States.  doi:https://doi.org/10.17188/1192500.  https://www.osti.gov/servlets/purl/1192500. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1192500,

  title        = {Materials Data on TmGa3Ru by Materials Project},

  author       = {The Materials Project},

  abstractNote = {TmRuGa3 crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Tm is bonded in a 8-coordinate geometry to four equivalent Ru and ten Ga atoms. All Tm–Ru bond lengths are 3.20 Å. There are eight shorter (2.93 Å) and two longer (3.20 Å) Tm–Ga bond lengths. Ru is bonded to four equivalent Tm and eight equivalent Ga atoms to form distorted RuTm4Ga8 cuboctahedra that share corners with four equivalent RuTm4Ga8 cuboctahedra, edges with four equivalent GaTm6 octahedra, and faces with eight equivalent RuTm4Ga8 cuboctahedra. All Ru–Ga bond lengths are 2.66 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded to six equivalent Tm atoms to form GaTm6 octahedra that share corners with six equivalent GaTm6 octahedra and edges with twelve equivalent RuTm4Ga8 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 Tm and three equivalent Ru atoms.},

  doi          = {10.17188/1192500},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1192500

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