Materials Data on TbGdAl6 by Materials Project

doi:10.17188/1651450

Title: Materials Data on TbGdAl6 by Materials Project

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Abstract

TbGdAl6 crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Tb is bonded to twelve Al atoms to form distorted TbAl12 cuboctahedra that share corners with six equivalent TbAl12 cuboctahedra, faces with two equivalent TbAl12 cuboctahedra, and faces with six equivalent GdAl12 cuboctahedra. There are six shorter (3.08 Å) and six longer (3.16 Å) Tb–Al bond lengths. Gd is bonded to twelve Al atoms to form distorted GdAl12 cuboctahedra that share corners with six equivalent GdAl12 cuboctahedra, faces with two equivalent GdAl12 cuboctahedra, and faces with six equivalent TbAl12 cuboctahedra. There are six shorter (3.08 Å) and six longer (3.16 Å) Gd–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 10-coordinate geometry to two equivalent Tb, two equivalent Gd, and six Al atoms. There are two shorter (2.77 Å) and four longer (2.81 Å) Al–Al bond lengths. In the second Al site, Al is bonded in a 10-coordinate geometry to two equivalent Tb, two equivalent Gd, and six Al atoms. Both Al–Al bond lengths are 2.78 Å.

Authors:: The Materials Project

Publication Date:: 2020-07-23

Other Number(s):: mp-1217618

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; TbGdAl6; Al-Gd-Tb

OSTI Identifier:: 1651450

DOI:: https://doi.org/10.17188/1651450

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                    The Materials Project. Materials Data on TbGdAl6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1651450.

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                    The Materials Project. Materials Data on TbGdAl6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1651450

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                    The Materials Project. 2020.  
"Materials Data on TbGdAl6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1651450.  https://www.osti.gov/servlets/purl/1651450. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1651450,

  title        = {Materials Data on TbGdAl6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {TbGdAl6 crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Tb is bonded to twelve Al atoms to form distorted TbAl12 cuboctahedra that share corners with six equivalent TbAl12 cuboctahedra, faces with two equivalent TbAl12 cuboctahedra, and faces with six equivalent GdAl12 cuboctahedra. There are six shorter (3.08 Å) and six longer (3.16 Å) Tb–Al bond lengths. Gd is bonded to twelve Al atoms to form distorted GdAl12 cuboctahedra that share corners with six equivalent GdAl12 cuboctahedra, faces with two equivalent GdAl12 cuboctahedra, and faces with six equivalent TbAl12 cuboctahedra. There are six shorter (3.08 Å) and six longer (3.16 Å) Gd–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 10-coordinate geometry to two equivalent Tb, two equivalent Gd, and six Al atoms. There are two shorter (2.77 Å) and four longer (2.81 Å) Al–Al bond lengths. In the second Al site, Al is bonded in a 10-coordinate geometry to two equivalent Tb, two equivalent Gd, and six Al atoms. Both Al–Al bond lengths are 2.78 Å.},

  doi          = {10.17188/1651450},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1651450

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