Materials Data on ThI3 by Materials Project

doi:10.17188/1264860

Title: Materials Data on ThI3 by Materials Project

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Abstract

ThI3 crystallizes in the orthorhombic Cccm space group. The structure is three-dimensional. there are three inequivalent Th sites. In the first Th site, Th is bonded in a body-centered cubic geometry to eight I atoms. There are four shorter (3.29 Å) and four longer (3.33 Å) Th–I bond lengths. In the second Th site, Th is bonded in a 8-coordinate geometry to eight I atoms. There are four shorter (3.25 Å) and four longer (3.27 Å) Th–I bond lengths. In the third Th site, Th is bonded in a 8-coordinate geometry to eight I atoms. There are a spread of Th–I bond distances ranging from 3.19–3.34 Å. There are four inequivalent I sites. In the first I site, I is bonded in a 2-coordinate geometry to two equivalent Th atoms. In the second I site, I is bonded in a 2-coordinate geometry to two equivalent Th atoms. In the third I site, I is bonded in a distorted trigonal non-coplanar geometry to three Th atoms. In the fourth I site, I is bonded in a distorted trigonal non-coplanar geometry to three Th atoms.

Authors:: The Materials Project

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

Other Number(s):: mp-540904

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; ThI3; I-Th

OSTI Identifier:: 1264860

DOI:: https://doi.org/10.17188/1264860

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                    The Materials Project. Materials Data on ThI3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1264860.

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                    The Materials Project. Materials Data on ThI3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1264860

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                    The Materials Project. 2020.  
"Materials Data on ThI3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1264860.  https://www.osti.gov/servlets/purl/1264860. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1264860,

  title        = {Materials Data on ThI3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {ThI3 crystallizes in the orthorhombic Cccm space group. The structure is three-dimensional. there are three inequivalent Th sites. In the first Th site, Th is bonded in a body-centered cubic geometry to eight I atoms. There are four shorter (3.29 Å) and four longer (3.33 Å) Th–I bond lengths. In the second Th site, Th is bonded in a 8-coordinate geometry to eight I atoms. There are four shorter (3.25 Å) and four longer (3.27 Å) Th–I bond lengths. In the third Th site, Th is bonded in a 8-coordinate geometry to eight I atoms. There are a spread of Th–I bond distances ranging from 3.19–3.34 Å. There are four inequivalent I sites. In the first I site, I is bonded in a 2-coordinate geometry to two equivalent Th atoms. In the second I site, I is bonded in a 2-coordinate geometry to two equivalent Th atoms. In the third I site, I is bonded in a distorted trigonal non-coplanar geometry to three Th atoms. In the fourth I site, I is bonded in a distorted trigonal non-coplanar geometry to three Th atoms.},

  doi          = {10.17188/1264860},

  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/10.17188/1264860

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