Materials Data on Th3Br by Materials Project

doi:10.17188/1316092

Title: Materials Data on Th3Br by Materials Project

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Abstract

Th3Br is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Th sites. In the first Th site, Th is bonded to four equivalent Br atoms to form a mixture of distorted edge and corner-sharing ThBr4 cuboctahedra. All Th–Br bond lengths are 3.51 Å. In the second Th site, Th is bonded in a square co-planar geometry to four equivalent Br atoms. All Th–Br bond lengths are 3.47 Å. Br is bonded to twelve Th atoms to form a mixture of edge, face, and corner-sharing BrTh12 cuboctahedra.

Authors:: The Materials Project

Publication Date:: 2020-07-23

Other Number(s):: mp-979116

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; Th3Br; Br-Th

OSTI Identifier:: 1316092

DOI:: https://doi.org/10.17188/1316092

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                    The Materials Project. Materials Data on Th3Br by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1316092.

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                    The Materials Project. Materials Data on Th3Br by Materials Project.  United States.  doi:https://doi.org/10.17188/1316092

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                    The Materials Project. 2020.  
"Materials Data on Th3Br by Materials Project".  United States.  doi:https://doi.org/10.17188/1316092.  https://www.osti.gov/servlets/purl/1316092. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1316092,

  title        = {Materials Data on Th3Br by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Th3Br is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Th sites. In the first Th site, Th is bonded to four equivalent Br atoms to form a mixture of distorted edge and corner-sharing ThBr4 cuboctahedra. All Th–Br bond lengths are 3.51 Å. In the second Th site, Th is bonded in a square co-planar geometry to four equivalent Br atoms. All Th–Br bond lengths are 3.47 Å. Br is bonded to twelve Th atoms to form a mixture of edge, face, and corner-sharing BrTh12 cuboctahedra.},

  doi          = {10.17188/1316092},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1316092

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