Materials Data on USe2 by Materials Project

doi:10.17188/1309171

Title: Materials Data on USe2 by Materials Project

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Abstract

USe2 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 Se2- atoms. There are six shorter (2.85 Å) and three longer (3.12 Å) U–Se bond lengths. In the second U4+ site, U4+ is bonded in a 9-coordinate geometry to nine Se2- atoms. There are three shorter (2.89 Å) and six longer (3.10 Å) U–Se bond lengths. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 5-coordinate geometry to five U4+ atoms. In the second Se2- site, Se2- is bonded to four U4+ atoms to form a mixture of distorted corner and edge-sharing SeU4 tetrahedra.

Authors:: The Materials Project

Publication Date:: Wed May 10 00:00:00 EDT 2017

Other Number(s):: mp-8591

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; USe2; Se-U

OSTI Identifier:: 1309171

DOI:: https://doi.org/10.17188/1309171

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                    The Materials Project. Materials Data on USe2 by Materials Project.  United States: N. p., 2017. 
        Web.  doi:10.17188/1309171.

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                    The Materials Project. Materials Data on USe2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1309171

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                    The Materials Project. 2017.  
"Materials Data on USe2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1309171.  https://www.osti.gov/servlets/purl/1309171. Pub date:Wed May 10 00:00:00 EDT 2017

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@article{osti_1309171,

  title        = {Materials Data on USe2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {USe2 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 Se2- atoms. There are six shorter (2.85 Å) and three longer (3.12 Å) U–Se bond lengths. In the second U4+ site, U4+ is bonded in a 9-coordinate geometry to nine Se2- atoms. There are three shorter (2.89 Å) and six longer (3.10 Å) U–Se bond lengths. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 5-coordinate geometry to five U4+ atoms. In the second Se2- site, Se2- is bonded to four U4+ atoms to form a mixture of distorted corner and edge-sharing SeU4 tetrahedra.},

  doi          = {10.17188/1309171},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed May 10 00:00:00 EDT 2017},

  month        = {Wed May 10 00:00:00 EDT 2017}

}

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DOI: https://doi.org/10.17188/1309171

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