Materials Data on BiTeCl by Materials Project

doi:10.17188/1203010

Title: Materials Data on BiTeCl by Materials Project

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Abstract

BiTeCl is alpha As-derived structured and crystallizes in the hexagonal P6_3mc space group. The structure is two-dimensional and consists of two BiTeCl sheets oriented in the (0, 0, 1) direction. Bi3+ is bonded to three equivalent Te2- and three equivalent Cl1- atoms to form edge-sharing BiTe3Cl3 octahedra. All Bi–Te bond lengths are 3.05 Å. All Bi–Cl bond lengths are 2.98 Å. Te2- is bonded in a 3-coordinate geometry to three equivalent Bi3+ atoms. Cl1- is bonded in a 3-coordinate geometry to three equivalent Bi3+ atoms.

Publication Date:: 2020-07-16

Other Number(s):: mp-28944

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; Bi-Cl-Te; BiTeCl; crystal structure

OSTI Identifier:: 1203010

DOI:: https://doi.org/10.17188/1203010

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                    Materials Data on BiTeCl by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1203010.

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                    Materials Data on BiTeCl by Materials Project.  United States.  doi:https://doi.org/10.17188/1203010

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                    2020.  
"Materials Data on BiTeCl by Materials Project".  United States.  doi:https://doi.org/10.17188/1203010.  https://www.osti.gov/servlets/purl/1203010. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1203010,

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

  
  abstractNote = {BiTeCl is alpha As-derived structured and crystallizes in the hexagonal P6_3mc space group. The structure is two-dimensional and consists of two BiTeCl sheets oriented in the (0, 0, 1) direction. Bi3+ is bonded to three equivalent Te2- and three equivalent Cl1- atoms to form edge-sharing BiTe3Cl3 octahedra. All Bi–Te bond lengths are 3.05 Å. All Bi–Cl bond lengths are 2.98 Å. Te2- is bonded in a 3-coordinate geometry to three equivalent Bi3+ atoms. Cl1- is bonded in a 3-coordinate geometry to three equivalent Bi3+ atoms.},

  doi          = {10.17188/1203010},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1203010

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