Materials Data on U2AsS by Materials Project

doi:10.17188/1684422

Title: Materials Data on U2AsS by Materials Project

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Abstract

U2AsS is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. U is bonded to three equivalent As and three equivalent S atoms to form a mixture of edge and corner-sharing UAs3S3 octahedra. The corner-sharing octahedral tilt angles are 0°. All U–As bond lengths are 2.87 Å. All U–S bond lengths are 2.76 Å. As is bonded to six equivalent U atoms to form AsU6 octahedra that share corners with six equivalent SU6 octahedra, edges with six equivalent AsU6 octahedra, and edges with six equivalent SU6 octahedra. The corner-sharing octahedral tilt angles are 3°. S is bonded to six equivalent U atoms to form SU6 octahedra that share corners with six equivalent AsU6 octahedra, edges with six equivalent AsU6 octahedra, and edges with six equivalent SU6 octahedra. The corner-sharing octahedral tilt angles are 3°.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1216688

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; U2AsS; As-S-U

OSTI Identifier:: 1684422

DOI:: https://doi.org/10.17188/1684422

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                    The Materials Project. Materials Data on U2AsS by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1684422.

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                    The Materials Project. Materials Data on U2AsS by Materials Project.  United States.  doi:https://doi.org/10.17188/1684422

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                    The Materials Project. 2020.  
"Materials Data on U2AsS by Materials Project".  United States.  doi:https://doi.org/10.17188/1684422.  https://www.osti.gov/servlets/purl/1684422. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1684422,

  title        = {Materials Data on U2AsS by Materials Project},

  author       = {The Materials Project},

  abstractNote = {U2AsS is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. U is bonded to three equivalent As and three equivalent S atoms to form a mixture of edge and corner-sharing UAs3S3 octahedra. The corner-sharing octahedral tilt angles are 0°. All U–As bond lengths are 2.87 Å. All U–S bond lengths are 2.76 Å. As is bonded to six equivalent U atoms to form AsU6 octahedra that share corners with six equivalent SU6 octahedra, edges with six equivalent AsU6 octahedra, and edges with six equivalent SU6 octahedra. The corner-sharing octahedral tilt angles are 3°. S is bonded to six equivalent U atoms to form SU6 octahedra that share corners with six equivalent AsU6 octahedra, edges with six equivalent AsU6 octahedra, and edges with six equivalent SU6 octahedra. The corner-sharing octahedral tilt angles are 3°.},

  doi          = {10.17188/1684422},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1684422

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