Materials Data on Y(VFe5)2 by Materials Project

doi:10.17188/1692779

Title: Materials Data on Y(VFe5)2 by Materials Project

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Abstract

YFe10V2 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Y is bonded in a 12-coordinate geometry to two equivalent V and eighteen Fe atoms. Both Y–V bond lengths are 3.06 Å. There are a spread of Y–Fe bond distances ranging from 3.03–3.22 Å. V is bonded in a 10-coordinate geometry to one Y, one V, and twelve Fe atoms. The V–V bond length is 2.40 Å. There are a spread of V–Fe bond distances ranging from 2.59–2.89 Å. There are four inequivalent Fe sites. In the first Fe site, Fe is bonded in a 12-coordinate geometry to two equivalent Y, two equivalent V, and eight Fe atoms. There are a spread of Fe–Fe bond distances ranging from 2.44–2.73 Å. In the second Fe site, Fe is bonded in a 12-coordinate geometry to two equivalent Y, two equivalent V, and eight Fe atoms. There are four shorter (2.42 Å) and two longer (2.59 Å) Fe–Fe bond lengths. In the third Fe site, Fe is bonded to two equivalent Y, two equivalent V, and eight Fe atoms to form a mixture of distorted edge, face, and corner-sharing FeY2V2Fe8 cuboctahedra. There are two shorter (2.35 Å) and two longer (2.60more »« less

Authors:: The Materials Project

Publication Date:: Sat Jan 12 00:00:00 EST 2019

Other Number(s):: mp-1216170

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; Y(VFe5)2; Fe-V-Y

OSTI Identifier:: 1692779

DOI:: https://doi.org/10.17188/1692779

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                    The Materials Project. Materials Data on Y(VFe5)2 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1692779.

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                    The Materials Project. Materials Data on Y(VFe5)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1692779

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                    The Materials Project. 2019.  
"Materials Data on Y(VFe5)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1692779.  https://www.osti.gov/servlets/purl/1692779. Pub date:Sat Jan 12 00:00:00 EST 2019

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@article{osti_1692779,

  title        = {Materials Data on Y(VFe5)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {YFe10V2 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Y is bonded in a 12-coordinate geometry to two equivalent V and eighteen Fe atoms. Both Y–V bond lengths are 3.06 Å. There are a spread of Y–Fe bond distances ranging from 3.03–3.22 Å. V is bonded in a 10-coordinate geometry to one Y, one V, and twelve Fe atoms. The V–V bond length is 2.40 Å. There are a spread of V–Fe bond distances ranging from 2.59–2.89 Å. There are four inequivalent Fe sites. In the first Fe site, Fe is bonded in a 12-coordinate geometry to two equivalent Y, two equivalent V, and eight Fe atoms. There are a spread of Fe–Fe bond distances ranging from 2.44–2.73 Å. In the second Fe site, Fe is bonded in a 12-coordinate geometry to two equivalent Y, two equivalent V, and eight Fe atoms. There are four shorter (2.42 Å) and two longer (2.59 Å) Fe–Fe bond lengths. In the third Fe site, Fe is bonded to two equivalent Y, two equivalent V, and eight Fe atoms to form a mixture of distorted edge, face, and corner-sharing FeY2V2Fe8 cuboctahedra. There are two shorter (2.35 Å) and two longer (2.60 Å) Fe–Fe bond lengths. In the fourth Fe site, Fe is bonded in a 2-coordinate geometry to one Y, four equivalent V, and nine Fe atoms. The Fe–Fe bond length is 2.38 Å.},

  doi          = {10.17188/1692779},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat Jan 12 00:00:00 EST 2019},

  month        = {Sat Jan 12 00:00:00 EST 2019}

}

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DOI: https://doi.org/10.17188/1692779

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