Materials Data on YFe2 by Materials Project

doi:10.17188/1719706

Title: Materials Data on YFe2 by Materials Project

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Abstract

YFe2 is Cubic Laves structured and crystallizes in the cubic I-43m space group. The structure is three-dimensional. there are five inequivalent Y sites. In the first Y site, Y is bonded in a 12-coordinate geometry to twelve equivalent Fe atoms. All Y–Fe bond lengths are 3.00 Å. In the second Y site, Y is bonded in a 12-coordinate geometry to twelve Fe atoms. There are eight shorter (3.01 Å) and four longer (3.02 Å) Y–Fe bond lengths. In the third Y site, Y is bonded in a 12-coordinate geometry to twelve Fe atoms. There are a spread of Y–Fe bond distances ranging from 3.00–3.04 Å. In the fourth Y site, Y is bonded in a 12-coordinate geometry to twelve Fe atoms. There are a spread of Y–Fe bond distances ranging from 2.99–3.05 Å. In the fifth Y site, Y is bonded in a 12-coordinate geometry to twelve Fe atoms. There are a spread of Y–Fe bond distances ranging from 2.97–3.03 Å. There are five inequivalent Fe sites. In the first Fe site, Fe is bonded to six Y and six Fe atoms to form a mixture of face, edge, and corner-sharing FeY6Fe6 cuboctahedra. There are three shorter (2.54 Å) andmore »« less

Authors:: The Materials Project

Publication Date:: 2020-06-05

Other Number(s):: mp-1178900

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; YFe2; Fe-Y

OSTI Identifier:: 1719706

DOI:: https://doi.org/10.17188/1719706

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                    The Materials Project. Materials Data on YFe2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1719706.

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                    The Materials Project. Materials Data on YFe2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1719706

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                    The Materials Project. 2020.  
"Materials Data on YFe2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1719706.  https://www.osti.gov/servlets/purl/1719706. Pub date:Fri Jun 05 00:00:00 EDT 2020

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@article{osti_1719706,

  title        = {Materials Data on YFe2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {YFe2 is Cubic Laves structured and crystallizes in the cubic I-43m space group. The structure is three-dimensional. there are five inequivalent Y sites. In the first Y site, Y is bonded in a 12-coordinate geometry to twelve equivalent Fe atoms. All Y–Fe bond lengths are 3.00 Å. In the second Y site, Y is bonded in a 12-coordinate geometry to twelve Fe atoms. There are eight shorter (3.01 Å) and four longer (3.02 Å) Y–Fe bond lengths. In the third Y site, Y is bonded in a 12-coordinate geometry to twelve Fe atoms. There are a spread of Y–Fe bond distances ranging from 3.00–3.04 Å. In the fourth Y site, Y is bonded in a 12-coordinate geometry to twelve Fe atoms. There are a spread of Y–Fe bond distances ranging from 2.99–3.05 Å. In the fifth Y site, Y is bonded in a 12-coordinate geometry to twelve Fe atoms. There are a spread of Y–Fe bond distances ranging from 2.97–3.03 Å. There are five inequivalent Fe sites. In the first Fe site, Fe is bonded to six Y and six Fe atoms to form a mixture of face, edge, and corner-sharing FeY6Fe6 cuboctahedra. There are three shorter (2.54 Å) and three longer (2.56 Å) Fe–Fe bond lengths. In the second Fe site, Fe is bonded to six Y and six Fe atoms to form a mixture of face, edge, and corner-sharing FeY6Fe6 cuboctahedra. There are a spread of Fe–Fe bond distances ranging from 2.56–2.58 Å. In the third Fe site, Fe is bonded to six Y and six Fe atoms to form a mixture of face, edge, and corner-sharing FeY6Fe6 cuboctahedra. There are two shorter (2.55 Å) and three longer (2.56 Å) Fe–Fe bond lengths. In the fourth Fe site, Fe is bonded to six Y and six Fe atoms to form a mixture of face, edge, and corner-sharing FeY6Fe6 cuboctahedra. There are one shorter (2.53 Å) and four longer (2.58 Å) Fe–Fe bond lengths. In the fifth Fe site, Fe is bonded to six Y and six Fe atoms to form a mixture of face, edge, and corner-sharing FeY6Fe6 cuboctahedra. The Fe–Fe bond length is 2.63 Å.},

  doi          = {10.17188/1719706},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {6}

}

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DOI: https://doi.org/10.17188/1719706

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