Materials Data on UP2 by Materials Project

doi:10.17188/1207879

Title: Materials Data on UP2 by Materials Project

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Abstract

UP2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. U6+ is bonded in a 9-coordinate geometry to nine P3- atoms. There are a spread of U–P bond distances ranging from 2.73–2.88 Å. There are two inequivalent P3- sites. In the first P3- site, P3- is bonded to five equivalent U6+ atoms to form a mixture of distorted edge and corner-sharing PU5 square pyramids. In the second P3- site, P3- is bonded in a 8-coordinate geometry to four equivalent U6+ and four equivalent P3- atoms. All P–P bond lengths are 2.67 Å.

Publication Date:: 2020-07-14

Other Number(s):: mp-413

DOE Contract Number:: AC02-05CH11231;

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; crystal structure; P-U; UP2

OSTI Identifier:: 1207879

DOI:: https://doi.org/10.17188/1207879

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                    Materials Data on UP2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1207879.

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                    Materials Data on UP2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1207879

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                    2020.  
"Materials Data on UP2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1207879.  https://www.osti.gov/servlets/purl/1207879. Pub date:Tue Jul 14 20:00:00 EDT 2020

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@article{osti_1207879,

  title        = {Materials Data on UP2 by Materials Project},

  
  abstractNote = {UP2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. U6+ is bonded in a 9-coordinate geometry to nine P3- atoms. There are a spread of U–P bond distances ranging from 2.73–2.88 Å. There are two inequivalent P3- sites. In the first P3- site, P3- is bonded to five equivalent U6+ atoms to form a mixture of distorted edge and corner-sharing PU5 square pyramids. In the second P3- site, P3- is bonded in a 8-coordinate geometry to four equivalent U6+ and four equivalent P3- atoms. All P–P bond lengths are 2.67 Å.},

  doi          = {10.17188/1207879},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1207879

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