Materials Data on Tb2CI by Materials Project

doi:10.17188/1749434

Title: Materials Data on Tb2CI by Materials Project

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Abstract

Tb2CI is H-Phase structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Tb is bonded to three equivalent C and three equivalent I atoms to form a mixture of distorted face, edge, and corner-sharing TbC3I3 octahedra. The corner-sharing octahedra tilt angles range from 0–39°. All Tb–C bond lengths are 2.53 Å. All Tb–I bond lengths are 3.27 Å. C is bonded to six equivalent Tb atoms to form edge-sharing CTb6 octahedra. I is bonded in a 6-coordinate geometry to six equivalent Tb atoms.

Publication Date:: 2020-05-02

Other Number(s):: mp-1207197

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; C-I-Tb; Tb2CI; crystal structure

OSTI Identifier:: 1749434

DOI:: https://doi.org/10.17188/1749434

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                    Materials Data on Tb2CI by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1749434.

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                    Materials Data on Tb2CI by Materials Project.  United States.  doi:https://doi.org/10.17188/1749434

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                    2020.  
"Materials Data on Tb2CI by Materials Project".  United States.  doi:https://doi.org/10.17188/1749434.  https://www.osti.gov/servlets/purl/1749434. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1749434,

  title        = {Materials Data on Tb2CI by Materials Project},

  
  abstractNote = {Tb2CI is H-Phase structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Tb is bonded to three equivalent C and three equivalent I atoms to form a mixture of distorted face, edge, and corner-sharing TbC3I3 octahedra. The corner-sharing octahedra tilt angles range from 0–39°. All Tb–C bond lengths are 2.53 Å. All Tb–I bond lengths are 3.27 Å. C is bonded to six equivalent Tb atoms to form edge-sharing CTb6 octahedra. I is bonded in a 6-coordinate geometry to six equivalent Tb atoms.},

  doi          = {10.17188/1749434},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1749434

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