Materials Data on K2UF6 by Materials Project

doi:10.17188/1662972

Title: Materials Data on K2UF6 by Materials Project

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Abstract

K2UF6 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. K1+ is bonded in a body-centered cubic geometry to eight F1- atoms. There are a spread of K–F bond distances ranging from 2.71–2.81 Å. U4+ is bonded in a body-centered cubic geometry to eight F1- atoms. There are four shorter (2.22 Å) and four longer (2.41 Å) U–F bond lengths. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded to three equivalent K1+ and one U4+ atom to form a mixture of distorted edge and corner-sharing FK3U tetrahedra. In the second F1- site, F1- is bonded to two equivalent K1+ and two equivalent U4+ atoms to form a mixture of distorted edge and corner-sharing FK2U2 tetrahedra.

Authors:: The Materials Project

Publication Date:: 2020-07-23

Other Number(s):: mp-1224157

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; K2UF6; F-K-U

OSTI Identifier:: 1662972

DOI:: https://doi.org/10.17188/1662972

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                    The Materials Project. Materials Data on K2UF6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1662972.

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                    The Materials Project. Materials Data on K2UF6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1662972

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                    The Materials Project. 2020.  
"Materials Data on K2UF6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1662972.  https://www.osti.gov/servlets/purl/1662972. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1662972,

  title        = {Materials Data on K2UF6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {K2UF6 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. K1+ is bonded in a body-centered cubic geometry to eight F1- atoms. There are a spread of K–F bond distances ranging from 2.71–2.81 Å. U4+ is bonded in a body-centered cubic geometry to eight F1- atoms. There are four shorter (2.22 Å) and four longer (2.41 Å) U–F bond lengths. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded to three equivalent K1+ and one U4+ atom to form a mixture of distorted edge and corner-sharing FK3U tetrahedra. In the second F1- site, F1- is bonded to two equivalent K1+ and two equivalent U4+ atoms to form a mixture of distorted edge and corner-sharing FK2U2 tetrahedra.},

  doi          = {10.17188/1662972},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1662972

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