Materials Data on ZrTaCo4 by Materials Project

doi:10.17188/1744110

Title: Materials Data on ZrTaCo4 by Materials Project

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Abstract

ZrTaCo4 is Hexagonal Laves-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Zr is bonded in a 12-coordinate geometry to four equivalent Ta and twelve equivalent Co atoms. All Zr–Ta bond lengths are 2.96 Å. All Zr–Co bond lengths are 2.83 Å. Ta is bonded in a 12-coordinate geometry to four equivalent Zr and twelve equivalent Co atoms. All Ta–Co bond lengths are 2.83 Å. Co is bonded to three equivalent Zr, three equivalent Ta, and six equivalent Co atoms to form a mixture of corner, edge, and face-sharing CoZr3Ta3Co6 cuboctahedra. There are three shorter (2.41 Å) and three longer (2.42 Å) Co–Co bond lengths.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1215205

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; ZrTaCo4; Co-Ta-Zr

OSTI Identifier:: 1744110

DOI:: https://doi.org/10.17188/1744110

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                    The Materials Project. Materials Data on ZrTaCo4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1744110.

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                    The Materials Project. Materials Data on ZrTaCo4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1744110

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                    The Materials Project. 2020.  
"Materials Data on ZrTaCo4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1744110.  https://www.osti.gov/servlets/purl/1744110. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1744110,

  title        = {Materials Data on ZrTaCo4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {ZrTaCo4 is Hexagonal Laves-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Zr is bonded in a 12-coordinate geometry to four equivalent Ta and twelve equivalent Co atoms. All Zr–Ta bond lengths are 2.96 Å. All Zr–Co bond lengths are 2.83 Å. Ta is bonded in a 12-coordinate geometry to four equivalent Zr and twelve equivalent Co atoms. All Ta–Co bond lengths are 2.83 Å. Co is bonded to three equivalent Zr, three equivalent Ta, and six equivalent Co atoms to form a mixture of corner, edge, and face-sharing CoZr3Ta3Co6 cuboctahedra. There are three shorter (2.41 Å) and three longer (2.42 Å) Co–Co bond lengths.},

  doi          = {10.17188/1744110},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1744110

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