Materials Data on Zr3Fe by Materials Project

doi:10.17188/1205505

Title: Materials Data on Zr3Fe by Materials Project

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Abstract

Zr3Fe crystallizes in the orthorhombic Cmcm space group. The structure is one-dimensional and consists of four Zr3Fe ribbons oriented in the (1, 0, 0) direction. there are two inequivalent Zr sites. In the first Zr site, Zr is bonded in a 2-coordinate geometry to two equivalent Fe atoms. Both Zr–Fe bond lengths are 2.60 Å. In the second Zr site, Zr is bonded in a 2-coordinate geometry to two equivalent Fe atoms. Both Zr–Fe bond lengths are 2.65 Å. Fe is bonded in a 6-coordinate geometry to six Zr atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-14

Other Number(s):: mp-31205

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; Zr3Fe; Fe-Zr

OSTI Identifier:: 1205505

DOI:: https://doi.org/10.17188/1205505

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                    The Materials Project. Materials Data on Zr3Fe by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1205505.

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                    The Materials Project. Materials Data on Zr3Fe by Materials Project.  United States.  doi:https://doi.org/10.17188/1205505

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                    The Materials Project. 2020.  
"Materials Data on Zr3Fe by Materials Project".  United States.  doi:https://doi.org/10.17188/1205505.  https://www.osti.gov/servlets/purl/1205505. Pub date:Tue Jul 14 00:00:00 EDT 2020

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@article{osti_1205505,

  title        = {Materials Data on Zr3Fe by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Zr3Fe crystallizes in the orthorhombic Cmcm space group. The structure is one-dimensional and consists of four Zr3Fe ribbons oriented in the (1, 0, 0) direction. there are two inequivalent Zr sites. In the first Zr site, Zr is bonded in a 2-coordinate geometry to two equivalent Fe atoms. Both Zr–Fe bond lengths are 2.60 Å. In the second Zr site, Zr is bonded in a 2-coordinate geometry to two equivalent Fe atoms. Both Zr–Fe bond lengths are 2.65 Å. Fe is bonded in a 6-coordinate geometry to six Zr atoms.},

  doi          = {10.17188/1205505},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1205505

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