Materials Data on MnInBr3 by Materials Project

doi:10.17188/1202983

Title: Materials Data on MnInBr3 by Materials Project

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Abstract

MnInBr3 crystallizes in the orthorhombic Pnma space group. The structure is one-dimensional and consists of two MnInBr3 ribbons oriented in the (1, 0, 0) direction. Mn2+ is bonded to six Br1- atoms to form edge-sharing MnBr6 octahedra. There are a spread of Mn–Br bond distances ranging from 2.61–2.76 Å. In1+ is bonded in a 2-coordinate geometry to two equivalent Br1- atoms. Both In–Br bond lengths are 3.26 Å. There are three inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 3-coordinate geometry to three equivalent Mn2+ atoms. In the second Br1- site, Br1- is bonded in a distorted L-shaped geometry to two equivalent Mn2+ atoms. In the third Br1- site, Br1- is bonded in a 1-coordinate geometry to one Mn2+ and two equivalent In1+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-21

Other Number(s):: mp-28912

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; MnInBr3; Br-In-Mn

OSTI Identifier:: 1202983

DOI:: https://doi.org/10.17188/1202983

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                    The Materials Project. Materials Data on MnInBr3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1202983.

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                    The Materials Project. Materials Data on MnInBr3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1202983

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                    The Materials Project. 2020.  
"Materials Data on MnInBr3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1202983.  https://www.osti.gov/servlets/purl/1202983. Pub date:Tue Jul 21 00:00:00 EDT 2020

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@article{osti_1202983,

  title        = {Materials Data on MnInBr3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {MnInBr3 crystallizes in the orthorhombic Pnma space group. The structure is one-dimensional and consists of two MnInBr3 ribbons oriented in the (1, 0, 0) direction. Mn2+ is bonded to six Br1- atoms to form edge-sharing MnBr6 octahedra. There are a spread of Mn–Br bond distances ranging from 2.61–2.76 Å. In1+ is bonded in a 2-coordinate geometry to two equivalent Br1- atoms. Both In–Br bond lengths are 3.26 Å. There are three inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 3-coordinate geometry to three equivalent Mn2+ atoms. In the second Br1- site, Br1- is bonded in a distorted L-shaped geometry to two equivalent Mn2+ atoms. In the third Br1- site, Br1- is bonded in a 1-coordinate geometry to one Mn2+ and two equivalent In1+ atoms.},

  doi          = {10.17188/1202983},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1202983

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