Materials Data on La(Fe2B)6 by Materials Project

doi:10.17188/1692770

Title: Materials Data on La(Fe2B)6 by Materials Project

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Abstract

LaFe12B6 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. La is bonded to eighteen Fe and six equivalent B atoms to form distorted edge-sharing LaFe18B6 cuboctahedra. There are six shorter (3.15 Å) and twelve longer (3.30 Å) La–Fe bond lengths. All La–B bond lengths are 3.06 Å. There are two inequivalent Fe sites. In the first Fe site, Fe is bonded in a distorted T-shaped geometry to one La and three equivalent B atoms. There are one shorter (2.14 Å) and two longer (2.18 Å) Fe–B bond lengths. In the second Fe site, Fe is bonded in a 4-coordinate geometry to two equivalent La and four equivalent B atoms. All Fe–B bond lengths are 2.06 Å. B is bonded in a 7-coordinate geometry to one La and seven Fe atoms.

Publication Date:: Thu Jan 10 23:00:00 EST 2019

Other Number(s):: mp-1188975

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; B-Fe-La; La(Fe2B)6; crystal structure

OSTI Identifier:: 1692770

DOI:: https://doi.org/10.17188/1692770

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                    Materials Data on La(Fe2B)6 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1692770.

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                    Materials Data on La(Fe2B)6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1692770

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                    2019.  
"Materials Data on La(Fe2B)6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1692770.  https://www.osti.gov/servlets/purl/1692770. Pub date:Thu Jan 10 23:00:00 EST 2019

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@article{osti_1692770,

  title        = {Materials Data on La(Fe2B)6 by Materials Project},

  
  abstractNote = {LaFe12B6 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. La is bonded to eighteen Fe and six equivalent B atoms to form distorted edge-sharing LaFe18B6 cuboctahedra. There are six shorter (3.15 Å) and twelve longer (3.30 Å) La–Fe bond lengths. All La–B bond lengths are 3.06 Å. There are two inequivalent Fe sites. In the first Fe site, Fe is bonded in a distorted T-shaped geometry to one La and three equivalent B atoms. There are one shorter (2.14 Å) and two longer (2.18 Å) Fe–B bond lengths. In the second Fe site, Fe is bonded in a 4-coordinate geometry to two equivalent La and four equivalent B atoms. All Fe–B bond lengths are 2.06 Å. B is bonded in a 7-coordinate geometry to one La and seven Fe atoms.},

  doi          = {10.17188/1692770},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jan 10 23:00:00 EST 2019},

  month        = {Thu Jan 10 23:00:00 EST 2019}

}

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DOI: https://doi.org/10.17188/1692770

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