Materials Data on Fe(BO)6 by Materials Project

doi:10.17188/1719707

Title: Materials Data on Fe(BO)6 by Materials Project

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Abstract

FeB6O6 crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of one FeB6O6 sheet oriented in the (0, 0, 1) direction. Fe is bonded in a hexagonal bipyramidal geometry to four equivalent B and four equivalent O atoms. All Fe–B bond lengths are 2.12 Å. All Fe–O bond lengths are 2.32 Å. There are two inequivalent B sites. In the first B site, B is bonded in a trigonal planar geometry to three O atoms. There is two shorter (1.36 Å) and one longer (1.45 Å) B–O bond length. In the second B site, B is bonded in a distorted bent 120 degrees geometry to one Fe and two O atoms. There is one shorter (1.50 Å) and one longer (1.55 Å) B–O bond length. There are two inequivalent O sites. In the first O site, O is bonded in a 2-coordinate geometry to one Fe and two B atoms. In the second O site, O is bonded in a 3-coordinate geometry to three B atoms.

Publication Date:: 2019-01-11

Other Number(s):: mp-1213438

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-O; Fe(BO)6; crystal structure

OSTI Identifier:: 1719707

DOI:: https://doi.org/10.17188/1719707

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                    Materials Data on Fe(BO)6 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1719707.

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                    Materials Data on Fe(BO)6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1719707

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                    2019.  
"Materials Data on Fe(BO)6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1719707.  https://www.osti.gov/servlets/purl/1719707. Pub date:Fri Jan 11 23:00:00 EST 2019

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@article{osti_1719707,

  title        = {Materials Data on Fe(BO)6 by Materials Project},

  
  abstractNote = {FeB6O6 crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of one FeB6O6 sheet oriented in the (0, 0, 1) direction. Fe is bonded in a hexagonal bipyramidal geometry to four equivalent B and four equivalent O atoms. All Fe–B bond lengths are 2.12 Å. All Fe–O bond lengths are 2.32 Å. There are two inequivalent B sites. In the first B site, B is bonded in a trigonal planar geometry to three O atoms. There is two shorter (1.36 Å) and one longer (1.45 Å) B–O bond length. In the second B site, B is bonded in a distorted bent 120 degrees geometry to one Fe and two O atoms. There is one shorter (1.50 Å) and one longer (1.55 Å) B–O bond length. There are two inequivalent O sites. In the first O site, O is bonded in a 2-coordinate geometry to one Fe and two B atoms. In the second O site, O is bonded in a 3-coordinate geometry to three B atoms.},

  doi          = {10.17188/1719707},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

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DOI: https://doi.org/10.17188/1719707

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