Materials Data on KLu3F10 by Materials Project

doi:10.17188/1711929

Title: Materials Data on KLu3F10 by Materials Project

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Abstract

KLu3F10 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. K1+ is bonded to sixteen F1- atoms to form distorted edge-sharing KF16 tetrahedra. There are four shorter (2.72 Å) and twelve longer (3.16 Å) K–F bond lengths. Lu3+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are four shorter (2.16 Å) and four longer (2.32 Å) Lu–F bond lengths. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent K1+ and two equivalent Lu3+ atoms. In the second F1- site, F1- is bonded to one K1+ and three equivalent Lu3+ atoms to form a mixture of edge and corner-sharing FKLu3 tetrahedra.

Authors:: The Materials Project

Publication Date:: 2020-05-01

Other Number(s):: mp-1211423

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; KLu3F10; F-K-Lu

OSTI Identifier:: 1711929

DOI:: https://doi.org/10.17188/1711929

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                    The Materials Project. Materials Data on KLu3F10 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1711929.

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                    The Materials Project. Materials Data on KLu3F10 by Materials Project.  United States.  doi:https://doi.org/10.17188/1711929

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                    The Materials Project. 2020.  
"Materials Data on KLu3F10 by Materials Project".  United States.  doi:https://doi.org/10.17188/1711929.  https://www.osti.gov/servlets/purl/1711929. Pub date:Fri May 01 00:00:00 EDT 2020

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@article{osti_1711929,

  title        = {Materials Data on KLu3F10 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {KLu3F10 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. K1+ is bonded to sixteen F1- atoms to form distorted edge-sharing KF16 tetrahedra. There are four shorter (2.72 Å) and twelve longer (3.16 Å) K–F bond lengths. Lu3+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are four shorter (2.16 Å) and four longer (2.32 Å) Lu–F bond lengths. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent K1+ and two equivalent Lu3+ atoms. In the second F1- site, F1- is bonded to one K1+ and three equivalent Lu3+ atoms to form a mixture of edge and corner-sharing FKLu3 tetrahedra.},

  doi          = {10.17188/1711929},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1711929

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