Materials Data on US2 by Materials Project

doi:10.17188/1202587

Title: Materials Data on US2 by Materials Project

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Abstract

US2 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are two inequivalent U4+ sites. In the first U4+ site, U4+ is bonded in a 9-coordinate geometry to nine S2- atoms. There are three shorter (2.73 Å) and six longer (2.95 Å) U–S bond lengths. In the second U4+ site, U4+ is bonded in a 9-coordinate geometry to nine S2- atoms. There are six shorter (2.71 Å) and three longer (2.96 Å) U–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 5-coordinate geometry to five U4+ atoms. In the second S2- site, S2- is bonded to four U4+ atoms to form a mixture of distorted corner and edge-sharing SU4 tetrahedra.

Authors:: The Materials Project

Publication Date:: 2020-07-16

Other Number(s):: mp-2849

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; US2; S-U

OSTI Identifier:: 1202587

DOI:: https://doi.org/10.17188/1202587

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                    The Materials Project. Materials Data on US2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1202587.

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                    The Materials Project. Materials Data on US2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1202587

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                    The Materials Project. 2020.  
"Materials Data on US2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1202587.  https://www.osti.gov/servlets/purl/1202587. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1202587,

  title        = {Materials Data on US2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {US2 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are two inequivalent U4+ sites. In the first U4+ site, U4+ is bonded in a 9-coordinate geometry to nine S2- atoms. There are three shorter (2.73 Å) and six longer (2.95 Å) U–S bond lengths. In the second U4+ site, U4+ is bonded in a 9-coordinate geometry to nine S2- atoms. There are six shorter (2.71 Å) and three longer (2.96 Å) U–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 5-coordinate geometry to five U4+ atoms. In the second S2- site, S2- is bonded to four U4+ atoms to form a mixture of distorted corner and edge-sharing SU4 tetrahedra.},

  doi          = {10.17188/1202587},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1202587

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