Materials Data on Th(TeI)2 by Materials Project

doi:10.17188/1266449

Title: Materials Data on Th(TeI)2 by Materials Project

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Abstract

Th(TeI)2 crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of one Th(TeI)2 sheet oriented in the (0, 0, 1) direction. Th4+ is bonded in a 8-coordinate geometry to four Te1- and four equivalent I1- atoms. There are two shorter (3.21 Å) and two longer (3.24 Å) Th–Te bond lengths. There are two shorter (3.19 Å) and two longer (3.23 Å) Th–I bond lengths. There are two inequivalent Te1- sites. In the first Te1- site, Te1- is bonded in a 2-coordinate geometry to two equivalent Th4+ atoms. In the second Te1- site, Te1- is bonded in a 2-coordinate geometry to two equivalent Th4+ atoms. I1- is bonded in a distorted water-like geometry to two equivalent Th4+ atoms.

Authors:: The Materials Project

Publication Date:: Tue Jul 14 00:00:00 EDT 2020

Other Number(s):: mp-542180

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; Th(TeI)2; I-Te-Th

OSTI Identifier:: 1266449

DOI:: https://doi.org/10.17188/1266449

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                    The Materials Project. Materials Data on Th(TeI)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1266449.

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                    The Materials Project. Materials Data on Th(TeI)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1266449

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                    The Materials Project. 2020.  
"Materials Data on Th(TeI)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1266449.  https://www.osti.gov/servlets/purl/1266449. Pub date:Tue Jul 14 00:00:00 EDT 2020

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@article{osti_1266449,

  title        = {Materials Data on Th(TeI)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Th(TeI)2 crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of one Th(TeI)2 sheet oriented in the (0, 0, 1) direction. Th4+ is bonded in a 8-coordinate geometry to four Te1- and four equivalent I1- atoms. There are two shorter (3.21 Å) and two longer (3.24 Å) Th–Te bond lengths. There are two shorter (3.19 Å) and two longer (3.23 Å) Th–I bond lengths. There are two inequivalent Te1- sites. In the first Te1- site, Te1- is bonded in a 2-coordinate geometry to two equivalent Th4+ atoms. In the second Te1- site, Te1- is bonded in a 2-coordinate geometry to two equivalent Th4+ atoms. I1- is bonded in a distorted water-like geometry to two equivalent Th4+ atoms.},

  doi          = {10.17188/1266449},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Tue Jul 14 00:00:00 EDT 2020},

  month        = {Tue Jul 14 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1266449

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