Materials Data on Tb(VFe2)4 by Materials Project

doi:10.17188/1699715

Title: Materials Data on Tb(VFe2)4 by Materials Project

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Abstract

Tb(VFe2)4 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Tb is bonded in a 12-coordinate geometry to four equivalent V and sixteen Fe atoms. All Tb–V bond lengths are 3.03 Å. There are eight shorter (3.05 Å) and eight longer (3.23 Å) Tb–Fe bond lengths. V is bonded in a 10-coordinate geometry to one Tb, one V, and eight Fe atoms. The V–V bond length is 2.44 Å. There are a spread of V–Fe bond distances ranging from 2.59–2.62 Å. There are two inequivalent Fe sites. In the first Fe site, Fe is bonded to two equivalent Tb, four equivalent V, and six Fe atoms to form a mixture of distorted corner, edge, and face-sharing FeTb2V4Fe6 cuboctahedra. There are two shorter (2.36 Å) and four longer (2.44 Å) Fe–Fe bond lengths. In the second Fe site, Fe is bonded in a 12-coordinate geometry to two equivalent Tb, four equivalent V, and six Fe atoms. Both Fe–Fe bond lengths are 2.73 Å.

Publication Date:: 2018-07-18

Other Number(s):: mp-1104217

DOE Contract Number:: AC02-05CH11231

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; Fe-Tb-V; Tb(VFe2)4; crystal structure

OSTI Identifier:: 1699715

DOI:: https://doi.org/10.17188/1699715

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                    Materials Data on Tb(VFe2)4 by Materials Project.  United States: N. p., 2018. 
        Web.  doi:10.17188/1699715.

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                    Materials Data on Tb(VFe2)4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1699715

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                    2018.  
"Materials Data on Tb(VFe2)4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1699715.  https://www.osti.gov/servlets/purl/1699715. Pub date:Wed Jul 18 00:00:00 EDT 2018

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@article{osti_1699715,

  title        = {Materials Data on Tb(VFe2)4 by Materials Project},

  
  abstractNote = {Tb(VFe2)4 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Tb is bonded in a 12-coordinate geometry to four equivalent V and sixteen Fe atoms. All Tb–V bond lengths are 3.03 Å. There are eight shorter (3.05 Å) and eight longer (3.23 Å) Tb–Fe bond lengths. V is bonded in a 10-coordinate geometry to one Tb, one V, and eight Fe atoms. The V–V bond length is 2.44 Å. There are a spread of V–Fe bond distances ranging from 2.59–2.62 Å. There are two inequivalent Fe sites. In the first Fe site, Fe is bonded to two equivalent Tb, four equivalent V, and six Fe atoms to form a mixture of distorted corner, edge, and face-sharing FeTb2V4Fe6 cuboctahedra. There are two shorter (2.36 Å) and four longer (2.44 Å) Fe–Fe bond lengths. In the second Fe site, Fe is bonded in a 12-coordinate geometry to two equivalent Tb, four equivalent V, and six Fe atoms. Both Fe–Fe bond lengths are 2.73 Å.},

  doi          = {10.17188/1699715},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2018},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1699715

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