Materials Data on ZrTiCo4 by Materials Project

doi:10.17188/1744288

Title: Materials Data on ZrTiCo4 by Materials Project

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Abstract

ZrTiCo4 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 Ti and twelve equivalent Co atoms. All Zr–Ti bond lengths are 2.94 Å. All Zr–Co bond lengths are 2.81 Å. Ti is bonded in a 12-coordinate geometry to four equivalent Zr and twelve equivalent Co atoms. All Ti–Co bond lengths are 2.81 Å. Co is bonded to three equivalent Zr, three equivalent Ti, and six equivalent Co atoms to form a mixture of face, edge, and corner-sharing CoZr3Ti3Co6 cuboctahedra. There are three shorter (2.39 Å) and three longer (2.41 Å) Co–Co bond lengths.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1215186

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; ZrTiCo4; Co-Ti-Zr

OSTI Identifier:: 1744288

DOI:: https://doi.org/10.17188/1744288

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                    The Materials Project. Materials Data on ZrTiCo4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1744288.

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                    The Materials Project. Materials Data on ZrTiCo4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1744288

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                    The Materials Project. 2020.  
"Materials Data on ZrTiCo4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1744288.  https://www.osti.gov/servlets/purl/1744288. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1744288,

  title        = {Materials Data on ZrTiCo4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {ZrTiCo4 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 Ti and twelve equivalent Co atoms. All Zr–Ti bond lengths are 2.94 Å. All Zr–Co bond lengths are 2.81 Å. Ti is bonded in a 12-coordinate geometry to four equivalent Zr and twelve equivalent Co atoms. All Ti–Co bond lengths are 2.81 Å. Co is bonded to three equivalent Zr, three equivalent Ti, and six equivalent Co atoms to form a mixture of face, edge, and corner-sharing CoZr3Ti3Co6 cuboctahedra. There are three shorter (2.39 Å) and three longer (2.41 Å) Co–Co bond lengths.},

  doi          = {10.17188/1744288},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1744288

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