Materials Data on Th3S by Materials Project

doi:10.17188/1316064

Title: Materials Data on Th3S by Materials Project

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Abstract

Th3S 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 S atoms to form a mixture of distorted edge and corner-sharing ThS4 cuboctahedra. All Th–S bond lengths are 3.41 Å. In the second Th site, Th is bonded in a square co-planar geometry to four equivalent S atoms. All Th–S bond lengths are 3.30 Å. S is bonded to twelve Th atoms to form a mixture of edge, face, and corner-sharing STh12 cuboctahedra.

Authors:: The Materials Project

Publication Date:: 2020-07-18

Other Number(s):: mp-978993

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; Th3S; S-Th

OSTI Identifier:: 1316064

DOI:: https://doi.org/10.17188/1316064

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                    The Materials Project. Materials Data on Th3S by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1316064.

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                    The Materials Project. Materials Data on Th3S by Materials Project.  United States.  doi:https://doi.org/10.17188/1316064

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                    The Materials Project. 2020.  
"Materials Data on Th3S by Materials Project".  United States.  doi:https://doi.org/10.17188/1316064.  https://www.osti.gov/servlets/purl/1316064. Pub date:Sat Jul 18 00:00:00 EDT 2020

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@article{osti_1316064,

  title        = {Materials Data on Th3S by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Th3S 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 S atoms to form a mixture of distorted edge and corner-sharing ThS4 cuboctahedra. All Th–S bond lengths are 3.41 Å. In the second Th site, Th is bonded in a square co-planar geometry to four equivalent S atoms. All Th–S bond lengths are 3.30 Å. S is bonded to twelve Th atoms to form a mixture of edge, face, and corner-sharing STh12 cuboctahedra.},

  doi          = {10.17188/1316064},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1316064

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