Materials Data on InFeBr3 by Materials Project

doi:10.17188/1277928

Title: Materials Data on InFeBr3 by Materials Project

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Abstract

FeInBr3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Fe2+ is bonded to six Br1- atoms to form edge-sharing FeBr6 octahedra. There are a spread of Fe–Br bond distances ranging from 2.46–2.49 Å. In1+ is bonded in a 7-coordinate geometry to seven Br1- atoms. There are a spread of In–Br bond distances ranging from 3.26–3.51 Å. There are three inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a distorted T-shaped geometry to three equivalent Fe2+ atoms. In the second Br1- site, Br1- is bonded in a 1-coordinate geometry to one Fe2+ and four equivalent In1+ atoms. In the third Br1- site, Br1- is bonded in a distorted water-like geometry to two equivalent Fe2+ and three equivalent In1+ atoms.

Authors:: The Materials Project

Publication Date:: Wed Jul 15 00:00:00 EDT 2020

Other Number(s):: mp-617426

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; InFeBr3; Br-Fe-In

OSTI Identifier:: 1277928

DOI:: https://doi.org/10.17188/1277928

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                    The Materials Project. Materials Data on InFeBr3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1277928.

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                    The Materials Project. Materials Data on InFeBr3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1277928

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                    The Materials Project. 2020.  
"Materials Data on InFeBr3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1277928.  https://www.osti.gov/servlets/purl/1277928. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1277928,

  title        = {Materials Data on InFeBr3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {FeInBr3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Fe2+ is bonded to six Br1- atoms to form edge-sharing FeBr6 octahedra. There are a spread of Fe–Br bond distances ranging from 2.46–2.49 Å. In1+ is bonded in a 7-coordinate geometry to seven Br1- atoms. There are a spread of In–Br bond distances ranging from 3.26–3.51 Å. There are three inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a distorted T-shaped geometry to three equivalent Fe2+ atoms. In the second Br1- site, Br1- is bonded in a 1-coordinate geometry to one Fe2+ and four equivalent In1+ atoms. In the third Br1- site, Br1- is bonded in a distorted water-like geometry to two equivalent Fe2+ and three equivalent In1+ atoms.},

  doi          = {10.17188/1277928},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 15 00:00:00 EDT 2020},

  month        = {Wed Jul 15 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1277928

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