Materials Data on U3S5 by Materials Project

doi:10.17188/1680778

Title: Materials Data on U3S5 by Materials Project

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Abstract

U3S5 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent U+3.33+ sites. In the first U+3.33+ site, U+3.33+ is bonded in a 10-coordinate geometry to ten S2- atoms. There are a spread of U–S bond distances ranging from 2.75–3.24 Å. In the second U+3.33+ site, U+3.33+ is bonded in a 10-coordinate geometry to eight equivalent S2- atoms. All U–S bond lengths are 2.82 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded to four equivalent U+3.33+ atoms to form distorted edge-sharing SU4 tetrahedra. In the second S2- site, S2- is bonded in a 6-coordinate geometry to six U+3.33+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1190042

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; U3S5; S-U

OSTI Identifier:: 1680778

DOI:: https://doi.org/10.17188/1680778

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                    The Materials Project. Materials Data on U3S5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1680778.

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                    The Materials Project. Materials Data on U3S5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1680778

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                    The Materials Project. 2020.  
"Materials Data on U3S5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1680778.  https://www.osti.gov/servlets/purl/1680778. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1680778,

  title        = {Materials Data on U3S5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {U3S5 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent U+3.33+ sites. In the first U+3.33+ site, U+3.33+ is bonded in a 10-coordinate geometry to ten S2- atoms. There are a spread of U–S bond distances ranging from 2.75–3.24 Å. In the second U+3.33+ site, U+3.33+ is bonded in a 10-coordinate geometry to eight equivalent S2- atoms. All U–S bond lengths are 2.82 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded to four equivalent U+3.33+ atoms to form distorted edge-sharing SU4 tetrahedra. In the second S2- site, S2- is bonded in a 6-coordinate geometry to six U+3.33+ atoms.},

  doi          = {10.17188/1680778},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1680778

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