Materials Data on MoBr3 by Materials Project

doi:10.17188/1199419

Title: Materials Data on MoBr3 by Materials Project

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Abstract

MoBr3 crystallizes in the orthorhombic Pmmn space group. The structure is one-dimensional and consists of two MoBr3 ribbons oriented in the (1, 0, 0) direction. Mo3+ is bonded to six Br1- atoms to form face-sharing MoBr6 octahedra. There are three shorter (2.57 Å) and three longer (2.63 Å) Mo–Br bond lengths. There are four inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 2-coordinate geometry to two equivalent Mo3+ atoms. In the second Br1- site, Br1- is bonded in a 2-coordinate geometry to two equivalent Mo3+ atoms. In the third Br1- site, Br1- is bonded in a distorted L-shaped geometry to two equivalent Mo3+ atoms. In the fourth Br1- site, Br1- is bonded in a distorted L-shaped geometry to two equivalent Mo3+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-04-29

Other Number(s):: mp-23312

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; MoBr3; Br-Mo

OSTI Identifier:: 1199419

DOI:: https://doi.org/10.17188/1199419

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                    The Materials Project. Materials Data on MoBr3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1199419.

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                    The Materials Project. Materials Data on MoBr3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1199419

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                    The Materials Project. 2020.  
"Materials Data on MoBr3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1199419.  https://www.osti.gov/servlets/purl/1199419. Pub date:Wed Apr 29 00:00:00 EDT 2020

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@article{osti_1199419,

  title        = {Materials Data on MoBr3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {MoBr3 crystallizes in the orthorhombic Pmmn space group. The structure is one-dimensional and consists of two MoBr3 ribbons oriented in the (1, 0, 0) direction. Mo3+ is bonded to six Br1- atoms to form face-sharing MoBr6 octahedra. There are three shorter (2.57 Å) and three longer (2.63 Å) Mo–Br bond lengths. There are four inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 2-coordinate geometry to two equivalent Mo3+ atoms. In the second Br1- site, Br1- is bonded in a 2-coordinate geometry to two equivalent Mo3+ atoms. In the third Br1- site, Br1- is bonded in a distorted L-shaped geometry to two equivalent Mo3+ atoms. In the fourth Br1- site, Br1- is bonded in a distorted L-shaped geometry to two equivalent Mo3+ atoms.},

  doi          = {10.17188/1199419},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1199419

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