Materials Data on ZrTiCr4 by Materials Project

doi:10.17188/1758253

Title: Materials Data on ZrTiCr4 by Materials Project

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Abstract

ZrTiCr4 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 Cr atoms. All Zr–Ti bond lengths are 3.04 Å. All Zr–Cr bond lengths are 2.91 Å. Ti is bonded in a 12-coordinate geometry to four equivalent Zr and twelve equivalent Cr atoms. All Ti–Cr bond lengths are 2.91 Å. Cr is bonded to three equivalent Zr, three equivalent Ti, and six equivalent Cr atoms to form a mixture of corner, edge, and face-sharing CrZr3Ti3Cr6 cuboctahedra. All Cr–Cr bond lengths are 2.48 Å.

Authors:: The Materials Project

Publication Date:: 2020-09-03

Other Number(s):: mp-1215179

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; ZrTiCr4; Cr-Ti-Zr

OSTI Identifier:: 1758253

DOI:: https://doi.org/10.17188/1758253

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                    The Materials Project. Materials Data on ZrTiCr4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1758253.

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                    The Materials Project. Materials Data on ZrTiCr4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1758253

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                    The Materials Project. 2020.  
"Materials Data on ZrTiCr4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1758253.  https://www.osti.gov/servlets/purl/1758253. Pub date:Thu Sep 03 00:00:00 EDT 2020

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@article{osti_1758253,

  title        = {Materials Data on ZrTiCr4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {ZrTiCr4 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 Cr atoms. All Zr–Ti bond lengths are 3.04 Å. All Zr–Cr bond lengths are 2.91 Å. Ti is bonded in a 12-coordinate geometry to four equivalent Zr and twelve equivalent Cr atoms. All Ti–Cr bond lengths are 2.91 Å. Cr is bonded to three equivalent Zr, three equivalent Ti, and six equivalent Cr atoms to form a mixture of corner, edge, and face-sharing CrZr3Ti3Cr6 cuboctahedra. All Cr–Cr bond lengths are 2.48 Å.},

  doi          = {10.17188/1758253},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {9}

}

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DOI: https://doi.org/10.17188/1758253

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