Materials Data on K3UF3 by Materials Project

doi:10.17188/1282894

Title: Materials Data on K3UF3 by Materials Project

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Abstract

K3UF3 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are three inequivalent K sites. In the first K site, K is bonded in a bent 120 degrees geometry to two F atoms. Both K–F bond lengths are 2.78 Å. In the second K site, K is bonded in a distorted T-shaped geometry to three F atoms. There are a spread of K–F bond distances ranging from 2.69–2.79 Å. In the third K site, K is bonded in a distorted T-shaped geometry to three F atoms. There are two shorter (2.72 Å) and one longer (2.77 Å) K–F bond lengths. U is bonded in a distorted T-shaped geometry to three F atoms. There are a spread of U–F bond distances ranging from 2.21–2.25 Å. There are three inequivalent F sites. In the first F site, F is bonded to three K and one U atom to form corner-sharing FK3U tetrahedra. In the second F site, F is bonded in a distorted T-shaped geometry to two K and one U atom. In the third F site, F is bonded to three K and one U atom to form corner-sharing FK3U tetrahedra.

Authors:: The Materials Project

Publication Date:: 2020-07-23

Other Number(s):: mp-675943

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; K3UF3; F-K-U

OSTI Identifier:: 1282894

DOI:: https://doi.org/10.17188/1282894

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                    The Materials Project. Materials Data on K3UF3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1282894.

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                    The Materials Project. Materials Data on K3UF3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1282894

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                    The Materials Project. 2020.  
"Materials Data on K3UF3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1282894.  https://www.osti.gov/servlets/purl/1282894. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1282894,

  title        = {Materials Data on K3UF3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {K3UF3 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are three inequivalent K sites. In the first K site, K is bonded in a bent 120 degrees geometry to two F atoms. Both K–F bond lengths are 2.78 Å. In the second K site, K is bonded in a distorted T-shaped geometry to three F atoms. There are a spread of K–F bond distances ranging from 2.69–2.79 Å. In the third K site, K is bonded in a distorted T-shaped geometry to three F atoms. There are two shorter (2.72 Å) and one longer (2.77 Å) K–F bond lengths. U is bonded in a distorted T-shaped geometry to three F atoms. There are a spread of U–F bond distances ranging from 2.21–2.25 Å. There are three inequivalent F sites. In the first F site, F is bonded to three K and one U atom to form corner-sharing FK3U tetrahedra. In the second F site, F is bonded in a distorted T-shaped geometry to two K and one U atom. In the third F site, F is bonded to three K and one U atom to form corner-sharing FK3U tetrahedra.},

  doi          = {10.17188/1282894},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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