Materials Data on TbMg2 by Materials Project

doi:10.17188/1188008

Title: Materials Data on TbMg2 by Materials Project

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Abstract

Mg2Tb is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded to six equivalent Mg and six equivalent Tb atoms to form a mixture of corner, edge, and face-sharing MgTb6Mg6 cuboctahedra. All Mg–Mg bond lengths are 3.04 Å. All Mg–Tb bond lengths are 3.56 Å. In the second Mg site, Mg is bonded to six Mg and six equivalent Tb atoms to form a mixture of corner, edge, and face-sharing MgTb6Mg6 cuboctahedra. There are two shorter (2.96 Å) and two longer (3.12 Å) Mg–Mg bond lengths. There are two shorter (3.52 Å) and four longer (3.54 Å) Mg–Tb bond lengths. Tb is bonded in a 12-coordinate geometry to twelve Mg and four equivalent Tb atoms. There are one shorter (3.64 Å) and three longer (3.73 Å) Tb–Tb bond lengths.

Authors:: The Materials Project

Publication Date:: Fri Jul 17 00:00:00 EDT 2020

Other Number(s):: mp-11497

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; TbMg2; Mg-Tb

OSTI Identifier:: 1188008

DOI:: https://doi.org/10.17188/1188008

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                    The Materials Project. Materials Data on TbMg2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1188008.

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                    The Materials Project. Materials Data on TbMg2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1188008

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                    The Materials Project. 2020.  
"Materials Data on TbMg2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1188008.  https://www.osti.gov/servlets/purl/1188008. Pub date:Fri Jul 17 00:00:00 EDT 2020

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@article{osti_1188008,

  title        = {Materials Data on TbMg2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Mg2Tb is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded to six equivalent Mg and six equivalent Tb atoms to form a mixture of corner, edge, and face-sharing MgTb6Mg6 cuboctahedra. All Mg–Mg bond lengths are 3.04 Å. All Mg–Tb bond lengths are 3.56 Å. In the second Mg site, Mg is bonded to six Mg and six equivalent Tb atoms to form a mixture of corner, edge, and face-sharing MgTb6Mg6 cuboctahedra. There are two shorter (2.96 Å) and two longer (3.12 Å) Mg–Mg bond lengths. There are two shorter (3.52 Å) and four longer (3.54 Å) Mg–Tb bond lengths. Tb is bonded in a 12-coordinate geometry to twelve Mg and four equivalent Tb atoms. There are one shorter (3.64 Å) and three longer (3.73 Å) Tb–Tb bond lengths.},

  doi          = {10.17188/1188008},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Fri Jul 17 00:00:00 EDT 2020},

  month        = {Fri Jul 17 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1188008

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