Materials Data on CsU6F25 by Materials Project

doi:10.17188/1269483

Title: Materials Data on CsU6F25 by Materials Project

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Abstract

CsU6F25 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Cs1+ is bonded in a cuboctahedral geometry to twelve F1- atoms. There are six shorter (3.16 Å) and six longer (3.17 Å) Cs–F bond lengths. U4+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of U–F bond distances ranging from 2.29–2.50 Å. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded in a trigonal non-coplanar geometry to three equivalent U4+ atoms. In the second F1- site, F1- is bonded in a distorted bent 120 degrees geometry to one Cs1+ and two equivalent U4+ atoms. In the third F1- site, F1- is bonded in a distorted bent 120 degrees geometry to one Cs1+ and two equivalent U4+ atoms. In the fourth F1- site, F1- is bonded in a linear geometry to two equivalent U4+ atoms. In the fifth F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent U4+ atoms. In the sixth F1- site, F1- is bonded in a distorted trigonal non-coplanar geometry to three equivalent U4+ atoms.

Authors:: The Materials Project

Publication Date:: Fri May 01 00:00:00 EDT 2020

Other Number(s):: mp-556690

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; CsU6F25; Cs-F-U

OSTI Identifier:: 1269483

DOI:: https://doi.org/10.17188/1269483

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                    The Materials Project. Materials Data on CsU6F25 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1269483.

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                    The Materials Project. Materials Data on CsU6F25 by Materials Project.  United States.  doi:https://doi.org/10.17188/1269483

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                    The Materials Project. 2020.  
"Materials Data on CsU6F25 by Materials Project".  United States.  doi:https://doi.org/10.17188/1269483.  https://www.osti.gov/servlets/purl/1269483. Pub date:Fri May 01 00:00:00 EDT 2020

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@article{osti_1269483,

  title        = {Materials Data on CsU6F25 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {CsU6F25 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Cs1+ is bonded in a cuboctahedral geometry to twelve F1- atoms. There are six shorter (3.16 Å) and six longer (3.17 Å) Cs–F bond lengths. U4+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of U–F bond distances ranging from 2.29–2.50 Å. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded in a trigonal non-coplanar geometry to three equivalent U4+ atoms. In the second F1- site, F1- is bonded in a distorted bent 120 degrees geometry to one Cs1+ and two equivalent U4+ atoms. In the third F1- site, F1- is bonded in a distorted bent 120 degrees geometry to one Cs1+ and two equivalent U4+ atoms. In the fourth F1- site, F1- is bonded in a linear geometry to two equivalent U4+ atoms. In the fifth F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent U4+ atoms. In the sixth F1- site, F1- is bonded in a distorted trigonal non-coplanar geometry to three equivalent U4+ atoms.},

  doi          = {10.17188/1269483},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Fri May 01 00:00:00 EDT 2020},

  month        = {Fri May 01 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1269483

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