Materials Data on Bi2TeI by Materials Project

doi:10.17188/1199509

Title: Materials Data on Bi2TeI by Materials Project

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Abstract

Bi2TeI crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of four bismuth molecules and two BiTeI sheets oriented in the (0, 0, 1) direction. In each BiTeI sheet, Bi+1.50+ is bonded to three equivalent Te2- and three equivalent I1- atoms to form edge-sharing BiTe3I3 octahedra. There are two shorter (3.07 Å) and one longer (3.08 Å) Bi–Te bond lengths. All Bi–I bond lengths are 3.30 Å. Te2- is bonded in a 3-coordinate geometry to three equivalent Bi+1.50+ atoms. I1- is bonded in a 3-coordinate geometry to three equivalent Bi+1.50+ atoms.

Authors:: The Materials Project

Publication Date:: Wed Jul 15 00:00:00 EDT 2020

Other Number(s):: mp-23435

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; Bi2TeI; Bi-I-Te

OSTI Identifier:: 1199509

DOI:: https://doi.org/10.17188/1199509

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                    The Materials Project. Materials Data on Bi2TeI by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1199509.

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                    The Materials Project. Materials Data on Bi2TeI by Materials Project.  United States.  doi:https://doi.org/10.17188/1199509

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                    The Materials Project. 2020.  
"Materials Data on Bi2TeI by Materials Project".  United States.  doi:https://doi.org/10.17188/1199509.  https://www.osti.gov/servlets/purl/1199509. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1199509,

  title        = {Materials Data on Bi2TeI by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Bi2TeI crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of four bismuth molecules and two BiTeI sheets oriented in the (0, 0, 1) direction. In each BiTeI sheet, Bi+1.50+ is bonded to three equivalent Te2- and three equivalent I1- atoms to form edge-sharing BiTe3I3 octahedra. There are two shorter (3.07 Å) and one longer (3.08 Å) Bi–Te bond lengths. All Bi–I bond lengths are 3.30 Å. Te2- is bonded in a 3-coordinate geometry to three equivalent Bi+1.50+ atoms. I1- is bonded in a 3-coordinate geometry to three equivalent Bi+1.50+ atoms.},

  doi          = {10.17188/1199509},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 15 00:00:00 EDT 2020},

  month        = {Wed Jul 15 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1199509

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