Materials Data on ErTc2 by Materials Project

doi:10.17188/1678086

Title: Materials Data on ErTc2 by Materials Project

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Abstract

ErTc2 is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Er is bonded in a 12-coordinate geometry to twelve Tc atoms. There are a spread of Er–Tc bond distances ranging from 3.14–3.16 Å. There are two inequivalent Tc sites. In the first Tc site, Tc is bonded to six equivalent Er and six equivalent Tc atoms to form a mixture of edge, corner, and face-sharing TcEr6Tc6 cuboctahedra. All Tc–Tc bond lengths are 2.73 Å. In the second Tc site, Tc is bonded to six equivalent Er and six Tc atoms to form a mixture of edge, corner, and face-sharing TcEr6Tc6 cuboctahedra. There are two shorter (2.60 Å) and two longer (2.76 Å) Tc–Tc bond lengths.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1095604

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; ErTc2; Er-Tc

OSTI Identifier:: 1678086

DOI:: https://doi.org/10.17188/1678086

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                    The Materials Project. Materials Data on ErTc2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1678086.

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                    The Materials Project. Materials Data on ErTc2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1678086

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                    The Materials Project. 2020.  
"Materials Data on ErTc2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1678086.  https://www.osti.gov/servlets/purl/1678086. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1678086,

  title        = {Materials Data on ErTc2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {ErTc2 is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Er is bonded in a 12-coordinate geometry to twelve Tc atoms. There are a spread of Er–Tc bond distances ranging from 3.14–3.16 Å. There are two inequivalent Tc sites. In the first Tc site, Tc is bonded to six equivalent Er and six equivalent Tc atoms to form a mixture of edge, corner, and face-sharing TcEr6Tc6 cuboctahedra. All Tc–Tc bond lengths are 2.73 Å. In the second Tc site, Tc is bonded to six equivalent Er and six Tc atoms to form a mixture of edge, corner, and face-sharing TcEr6Tc6 cuboctahedra. There are two shorter (2.60 Å) and two longer (2.76 Å) Tc–Tc bond lengths.},

  doi          = {10.17188/1678086},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1678086

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