Materials Data on HoFe2 by Materials Project

doi:10.17188/1672178

Title: Materials Data on HoFe2 by Materials Project

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Abstract

HoFe2 is Hexagonal Laves structured and crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ho is bonded in a 12-coordinate geometry to twelve Fe atoms. There are a spread of Ho–Fe bond distances ranging from 2.99–3.03 Å. There are three inequivalent Fe sites. In the first Fe site, Fe is bonded to six equivalent Ho and six Fe atoms to form a mixture of corner, edge, and face-sharing FeHo6Fe6 cuboctahedra. All Fe–Fe bond lengths are 2.55 Å. In the second Fe site, Fe is bonded to six equivalent Ho and six Fe atoms to form a mixture of corner, edge, and face-sharing FeHo6Fe6 cuboctahedra. There are two shorter (2.56 Å) and two longer (2.59 Å) Fe–Fe bond lengths. In the third Fe site, Fe is bonded to six equivalent Ho and six Fe atoms to form a mixture of corner, edge, and face-sharing FeHo6Fe6 cuboctahedra.

Authors:: The Materials Project

Publication Date:: 2018-07-18

Other Number(s):: mp-1102099

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; HoFe2; Fe-Ho

OSTI Identifier:: 1672178

DOI:: https://doi.org/10.17188/1672178

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                    The Materials Project. Materials Data on HoFe2 by Materials Project.  United States: N. p., 2018. 
        Web.  doi:10.17188/1672178.

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                    The Materials Project. Materials Data on HoFe2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1672178

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                    The Materials Project. 2018.  
"Materials Data on HoFe2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1672178.  https://www.osti.gov/servlets/purl/1672178. Pub date:Wed Jul 18 00:00:00 EDT 2018

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@article{osti_1672178,

  title        = {Materials Data on HoFe2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {HoFe2 is Hexagonal Laves structured and crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ho is bonded in a 12-coordinate geometry to twelve Fe atoms. There are a spread of Ho–Fe bond distances ranging from 2.99–3.03 Å. There are three inequivalent Fe sites. In the first Fe site, Fe is bonded to six equivalent Ho and six Fe atoms to form a mixture of corner, edge, and face-sharing FeHo6Fe6 cuboctahedra. All Fe–Fe bond lengths are 2.55 Å. In the second Fe site, Fe is bonded to six equivalent Ho and six Fe atoms to form a mixture of corner, edge, and face-sharing FeHo6Fe6 cuboctahedra. There are two shorter (2.56 Å) and two longer (2.59 Å) Fe–Fe bond lengths. In the third Fe site, Fe is bonded to six equivalent Ho and six Fe atoms to form a mixture of corner, edge, and face-sharing FeHo6Fe6 cuboctahedra.},

  doi          = {10.17188/1672178},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2018},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1672178

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