Materials Data on MgInBr3 by Materials Project

doi:10.17188/1203961

Title: Materials Data on MgInBr3 by Materials Project

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Abstract

MgInBr3 crystallizes in the orthorhombic Pnma space group. The structure is one-dimensional and consists of two MgInBr3 ribbons oriented in the (1, 0, 0) direction. Mg2+ is bonded to six Br1- atoms to form edge-sharing MgBr6 octahedra. There are a spread of Mg–Br bond distances ranging from 2.63–2.76 Å. In1+ is bonded in a 2-coordinate geometry to three Br1- atoms. There are two shorter (3.21 Å) and one longer (3.41 Å) In–Br bond lengths. There are three inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 3-coordinate geometry to three equivalent Mg2+ atoms. In the second Br1- site, Br1- is bonded in a distorted L-shaped geometry to two equivalent Mg2+ and one In1+ atom. In the third Br1- site, Br1- is bonded in a 1-coordinate geometry to one Mg2+ and two equivalent In1+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-29483

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; MgInBr3; Br-In-Mg

OSTI Identifier:: 1203961

DOI:: https://doi.org/10.17188/1203961

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                    The Materials Project. Materials Data on MgInBr3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1203961.

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                    The Materials Project. Materials Data on MgInBr3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1203961

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                    The Materials Project. 2020.  
"Materials Data on MgInBr3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1203961.  https://www.osti.gov/servlets/purl/1203961. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1203961,

  title        = {Materials Data on MgInBr3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {MgInBr3 crystallizes in the orthorhombic Pnma space group. The structure is one-dimensional and consists of two MgInBr3 ribbons oriented in the (1, 0, 0) direction. Mg2+ is bonded to six Br1- atoms to form edge-sharing MgBr6 octahedra. There are a spread of Mg–Br bond distances ranging from 2.63–2.76 Å. In1+ is bonded in a 2-coordinate geometry to three Br1- atoms. There are two shorter (3.21 Å) and one longer (3.41 Å) In–Br bond lengths. There are three inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 3-coordinate geometry to three equivalent Mg2+ atoms. In the second Br1- site, Br1- is bonded in a distorted L-shaped geometry to two equivalent Mg2+ and one In1+ atom. In the third Br1- site, Br1- is bonded in a 1-coordinate geometry to one Mg2+ and two equivalent In1+ atoms.},

  doi          = {10.17188/1203961},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1203961

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