Materials Data on CdIBr by Materials Project

doi:10.17188/1355339

Title: Materials Data on CdIBr by Materials Project

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Abstract

CdIBr is trigonal omega-derived structured and crystallizes in the trigonal R3m space group. The structure is two-dimensional and consists of six CdIBr sheets oriented in the (0, 0, 1) direction. Cd2+ is bonded to three equivalent I1- and three equivalent Br1- atoms to form edge-sharing CdI3Br3 octahedra. All Cd–I bond lengths are 3.00 Å. All Cd–Br bond lengths are 2.87 Å. I1- is bonded in a 3-coordinate geometry to three equivalent Cd2+ atoms. Br1- is bonded in a 3-coordinate geometry to three equivalent Cd2+ atoms.

Publication Date:: 2020-07-20

Other Number(s):: mp-1025115

DOE Contract Number:: AC02-05CH11231

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; Br-Cd-I; CdIBr; crystal structure

OSTI Identifier:: 1355339

DOI:: https://doi.org/10.17188/1355339

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                    Materials Data on CdIBr by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1355339.

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                    Materials Data on CdIBr by Materials Project.  United States.  doi:https://doi.org/10.17188/1355339

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                    2020.  
"Materials Data on CdIBr by Materials Project".  United States.  doi:https://doi.org/10.17188/1355339.  https://www.osti.gov/servlets/purl/1355339. Pub date:Mon Jul 20 00:00:00 EDT 2020

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@article{osti_1355339,

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

  
  abstractNote = {CdIBr is trigonal omega-derived structured and crystallizes in the trigonal R3m space group. The structure is two-dimensional and consists of six CdIBr sheets oriented in the (0, 0, 1) direction. Cd2+ is bonded to three equivalent I1- and three equivalent Br1- atoms to form edge-sharing CdI3Br3 octahedra. All Cd–I bond lengths are 3.00 Å. All Cd–Br bond lengths are 2.87 Å. I1- is bonded in a 3-coordinate geometry to three equivalent Cd2+ atoms. Br1- is bonded in a 3-coordinate geometry to three equivalent Cd2+ atoms.},

  doi          = {10.17188/1355339},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1355339

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