Materials Data on Tb4Ga6FeGe6 by Materials Project

doi:10.17188/1278984

Title: Materials Data on Tb4Ga6FeGe6 by Materials Project

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Abstract

Tb4FeGa6Ge6 crystallizes in the cubic Im-3m space group. The structure is three-dimensional. Tb is bonded to six equivalent Ga and six equivalent Ge atoms to form TbGa6Ge6 cuboctahedra that share corners with twelve equivalent TbGa6Ge6 cuboctahedra, corners with twelve equivalent GaTb4Ge4 cuboctahedra, edges with six equivalent GaTb4Ge4 cuboctahedra, faces with six equivalent TbGa6Ge6 cuboctahedra, and faces with two equivalent FeGe6 octahedra. All Tb–Ga bond lengths are 3.04 Å. All Tb–Ge bond lengths are 3.06 Å. Fe is bonded to six equivalent Ge atoms to form FeGe6 octahedra that share corners with twenty-four equivalent GaTb4Ge4 cuboctahedra and faces with eight equivalent TbGa6Ge6 cuboctahedra. All Fe–Ge bond lengths are 2.48 Å. Ga is bonded to four equivalent Tb and four equivalent Ge atoms to form distorted GaTb4Ge4 cuboctahedra that share corners with eight equivalent TbGa6Ge6 cuboctahedra, corners with twelve equivalent GaTb4Ge4 cuboctahedra, corners with four equivalent FeGe6 octahedra, edges with two equivalent GaTb4Ge4 cuboctahedra, edges with four equivalent TbGa6Ge6 cuboctahedra, and faces with four equivalent GaTb4Ge4 cuboctahedra. The corner-sharing octahedral tilt angles are 50°. All Ga–Ge bond lengths are 2.82 Å. Ge is bonded in a 9-coordinate geometry to four equivalent Tb, one Fe, and four equivalent Ga atoms.

Authors:: The Materials Project

Publication Date:: Sat Jul 18 00:00:00 EDT 2020

Other Number(s):: mp-630372

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; Tb4Ga6FeGe6; Fe-Ga-Ge-Tb

OSTI Identifier:: 1278984

DOI:: https://doi.org/10.17188/1278984

Citation Formats


                    The Materials Project. Materials Data on Tb4Ga6FeGe6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1278984.

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                    The Materials Project. Materials Data on Tb4Ga6FeGe6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1278984

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                    The Materials Project. 2020.  
"Materials Data on Tb4Ga6FeGe6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1278984.  https://www.osti.gov/servlets/purl/1278984. Pub date:Sat Jul 18 00:00:00 EDT 2020

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@article{osti_1278984,

  title        = {Materials Data on Tb4Ga6FeGe6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Tb4FeGa6Ge6 crystallizes in the cubic Im-3m space group. The structure is three-dimensional. Tb is bonded to six equivalent Ga and six equivalent Ge atoms to form TbGa6Ge6 cuboctahedra that share corners with twelve equivalent TbGa6Ge6 cuboctahedra, corners with twelve equivalent GaTb4Ge4 cuboctahedra, edges with six equivalent GaTb4Ge4 cuboctahedra, faces with six equivalent TbGa6Ge6 cuboctahedra, and faces with two equivalent FeGe6 octahedra. All Tb–Ga bond lengths are 3.04 Å. All Tb–Ge bond lengths are 3.06 Å. Fe is bonded to six equivalent Ge atoms to form FeGe6 octahedra that share corners with twenty-four equivalent GaTb4Ge4 cuboctahedra and faces with eight equivalent TbGa6Ge6 cuboctahedra. All Fe–Ge bond lengths are 2.48 Å. Ga is bonded to four equivalent Tb and four equivalent Ge atoms to form distorted GaTb4Ge4 cuboctahedra that share corners with eight equivalent TbGa6Ge6 cuboctahedra, corners with twelve equivalent GaTb4Ge4 cuboctahedra, corners with four equivalent FeGe6 octahedra, edges with two equivalent GaTb4Ge4 cuboctahedra, edges with four equivalent TbGa6Ge6 cuboctahedra, and faces with four equivalent GaTb4Ge4 cuboctahedra. The corner-sharing octahedral tilt angles are 50°. All Ga–Ge bond lengths are 2.82 Å. Ge is bonded in a 9-coordinate geometry to four equivalent Tb, one Fe, and four equivalent Ga atoms.},

  doi          = {10.17188/1278984},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat Jul 18 00:00:00 EDT 2020},

  month        = {Sat Jul 18 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1278984

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