Materials Data on Tm2Ga8Co by Materials Project

doi:10.17188/1743812

Title: Materials Data on Tm2Ga8Co by Materials Project

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Abstract

Tm2CoGa8 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Tm is bonded to twelve Ga atoms to form TmGa12 cuboctahedra that share corners with eight equivalent TmGa12 cuboctahedra, edges with twelve GaTm4Ga8 cuboctahedra, faces with five equivalent TmGa12 cuboctahedra, and faces with eight GaTm4Ga8 cuboctahedra. There are a spread of Tm–Ga bond distances ranging from 2.96–3.01 Å. Co is bonded in a body-centered cubic geometry to eight Ga atoms. All Co–Ga bond lengths are 2.47 Å. There are six inequivalent Ga sites. In the first Ga site, Ga is bonded to four equivalent Tm and eight Ga atoms to form distorted GaTm4Ga8 cuboctahedra that share corners with four equivalent GaTm4Ga8 cuboctahedra, edges with eight equivalent TmGa12 cuboctahedra, edges with eight equivalent GaTm4Ga8 cuboctahedra, faces with four equivalent TmGa12 cuboctahedra, and faces with twelve GaTm4Ga8 cuboctahedra. There are four shorter (2.98 Å) and four longer (2.99 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded to four equivalent Tm and eight Ga atoms to form distorted GaTm4Ga8 cuboctahedra that share corners with eight equivalent GaTm4Ga8 cuboctahedra, edges with four equivalent TmGa12 cuboctahedra, edges with eight equivalent GaTm4Ga8 cuboctahedra, faces with four equivalent TmGa12 cuboctahedra, andmore »« less

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1102278

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; Tm2Ga8Co; Co-Ga-Tm

OSTI Identifier:: 1743812

DOI:: https://doi.org/10.17188/1743812

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                    The Materials Project. Materials Data on Tm2Ga8Co by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1743812.

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                    The Materials Project. Materials Data on Tm2Ga8Co by Materials Project.  United States.  doi:https://doi.org/10.17188/1743812

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                    The Materials Project. 2020.  
"Materials Data on Tm2Ga8Co by Materials Project".  United States.  doi:https://doi.org/10.17188/1743812.  https://www.osti.gov/servlets/purl/1743812. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1743812,

  title        = {Materials Data on Tm2Ga8Co by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Tm2CoGa8 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Tm is bonded to twelve Ga atoms to form TmGa12 cuboctahedra that share corners with eight equivalent TmGa12 cuboctahedra, edges with twelve GaTm4Ga8 cuboctahedra, faces with five equivalent TmGa12 cuboctahedra, and faces with eight GaTm4Ga8 cuboctahedra. There are a spread of Tm–Ga bond distances ranging from 2.96–3.01 Å. Co is bonded in a body-centered cubic geometry to eight Ga atoms. All Co–Ga bond lengths are 2.47 Å. There are six inequivalent Ga sites. In the first Ga site, Ga is bonded to four equivalent Tm and eight Ga atoms to form distorted GaTm4Ga8 cuboctahedra that share corners with four equivalent GaTm4Ga8 cuboctahedra, edges with eight equivalent TmGa12 cuboctahedra, edges with eight equivalent GaTm4Ga8 cuboctahedra, faces with four equivalent TmGa12 cuboctahedra, and faces with twelve GaTm4Ga8 cuboctahedra. There are four shorter (2.98 Å) and four longer (2.99 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded to four equivalent Tm and eight Ga atoms to form distorted GaTm4Ga8 cuboctahedra that share corners with eight equivalent GaTm4Ga8 cuboctahedra, edges with four equivalent TmGa12 cuboctahedra, edges with eight equivalent GaTm4Ga8 cuboctahedra, faces with four equivalent TmGa12 cuboctahedra, and faces with nine GaTm4Ga8 cuboctahedra. All Ga–Ga bond lengths are 2.99 Å. In the third Ga site, Ga is bonded in a 4-coordinate geometry to two equivalent Tm, two equivalent Co, and seven Ga atoms. There are one shorter (2.56 Å) and four longer (2.99 Å) Ga–Ga bond lengths. In the fourth Ga site, Ga is bonded in a 4-coordinate geometry to two equivalent Tm, two equivalent Co, and seven Ga atoms. The Ga–Ga bond length is 2.56 Å. In the fifth Ga site, Ga is bonded in a 4-coordinate geometry to two equivalent Tm, two equivalent Co, and seven Ga atoms. Both Ga–Tm bond lengths are 2.96 Å. All Ga–Ga bond lengths are 2.99 Å. In the sixth Ga site, Ga is bonded in a 4-coordinate geometry to two equivalent Tm, two equivalent Co, and seven Ga atoms. Both Ga–Tm bond lengths are 2.96 Å. Both Ga–Ga bond lengths are 2.99 Å.},

  doi          = {10.17188/1743812},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1743812

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