Materials Data on CrBr2 by Materials Project

doi:10.17188/1681493

Title: Materials Data on CrBr2 by Materials Project

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Abstract

CrBr2 is zeta iron carbide structured and crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. Cr2+ is bonded to six equivalent Br1- atoms to form a mixture of corner and edge-sharing CrBr6 octahedra. The corner-sharing octahedral tilt angles are 47°. There are four shorter (2.55 Å) and two longer (3.03 Å) Cr–Br bond lengths. Br1- is bonded in a 3-coordinate geometry to three equivalent Cr2+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1183765

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; CrBr2; Br-Cr

OSTI Identifier:: 1681493

DOI:: https://doi.org/10.17188/1681493

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                    The Materials Project. Materials Data on CrBr2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1681493.

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                    The Materials Project. Materials Data on CrBr2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1681493

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                    The Materials Project. 2020.  
"Materials Data on CrBr2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1681493.  https://www.osti.gov/servlets/purl/1681493. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1681493,

  title        = {Materials Data on CrBr2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {CrBr2 is zeta iron carbide structured and crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. Cr2+ is bonded to six equivalent Br1- atoms to form a mixture of corner and edge-sharing CrBr6 octahedra. The corner-sharing octahedral tilt angles are 47°. There are four shorter (2.55 Å) and two longer (3.03 Å) Cr–Br bond lengths. Br1- is bonded in a 3-coordinate geometry to three equivalent Cr2+ atoms.},

  doi          = {10.17188/1681493},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1681493

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