Materials Data on ThUS2 by Materials Project

doi:10.17188/1752596

Title: Materials Data on ThUS2 by Materials Project

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Abstract

UThS2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. U is bonded to six equivalent S atoms to form US6 octahedra that share corners with six equivalent ThS6 octahedra, edges with six equivalent US6 octahedra, and edges with six equivalent ThS6 octahedra. The corner-sharing octahedral tilt angles are 3°. All U–S bond lengths are 2.75 Å. Th is bonded to six equivalent S atoms to form ThS6 octahedra that share corners with six equivalent US6 octahedra, edges with six equivalent US6 octahedra, and edges with six equivalent ThS6 octahedra. The corner-sharing octahedral tilt angles are 3°. All Th–S bond lengths are 2.85 Å. S is bonded to three equivalent U and three equivalent Th atoms to form a mixture of corner and edge-sharing STh3U3 octahedra. The corner-sharing octahedral tilt angles are 0°.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1217311

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; ThUS2; S-Th-U

OSTI Identifier:: 1752596

DOI:: https://doi.org/10.17188/1752596

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                    The Materials Project. Materials Data on ThUS2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1752596.

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                    The Materials Project. Materials Data on ThUS2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1752596

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                    The Materials Project. 2020.  
"Materials Data on ThUS2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1752596.  https://www.osti.gov/servlets/purl/1752596. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1752596,

  title        = {Materials Data on ThUS2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {UThS2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. U is bonded to six equivalent S atoms to form US6 octahedra that share corners with six equivalent ThS6 octahedra, edges with six equivalent US6 octahedra, and edges with six equivalent ThS6 octahedra. The corner-sharing octahedral tilt angles are 3°. All U–S bond lengths are 2.75 Å. Th is bonded to six equivalent S atoms to form ThS6 octahedra that share corners with six equivalent US6 octahedra, edges with six equivalent US6 octahedra, and edges with six equivalent ThS6 octahedra. The corner-sharing octahedral tilt angles are 3°. All Th–S bond lengths are 2.85 Å. S is bonded to three equivalent U and three equivalent Th atoms to form a mixture of corner and edge-sharing STh3U3 octahedra. The corner-sharing octahedral tilt angles are 0°.},

  doi          = {10.17188/1752596},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1752596

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