Materials Data on KEr3F10 by Materials Project

doi:10.17188/1193113

Title: Materials Data on KEr3F10 by Materials Project

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Abstract

KEr3F10 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 (2.77 Å) and twelve longer (3.21 Å) K–F bond lengths. Er3+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are four shorter (2.20 Å) and four longer (2.36 Å) Er–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 Er3+ atoms. In the second F1- site, F1- is bonded to one K1+ and three equivalent Er3+ atoms to form a mixture of distorted corner and edge-sharing FKEr3 tetrahedra.

Authors:: The Materials Project

Publication Date:: Fri Jul 24 00:00:00 EDT 2020

Other Number(s):: mp-18451

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; KEr3F10; Er-F-K

OSTI Identifier:: 1193113

DOI:: https://doi.org/10.17188/1193113

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                    The Materials Project. Materials Data on KEr3F10 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1193113.

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                    The Materials Project. Materials Data on KEr3F10 by Materials Project.  United States.  doi:https://doi.org/10.17188/1193113

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                    The Materials Project. 2020.  
"Materials Data on KEr3F10 by Materials Project".  United States.  doi:https://doi.org/10.17188/1193113.  https://www.osti.gov/servlets/purl/1193113. Pub date:Fri Jul 24 00:00:00 EDT 2020

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@article{osti_1193113,

  title        = {Materials Data on KEr3F10 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {KEr3F10 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 (2.77 Å) and twelve longer (3.21 Å) K–F bond lengths. Er3+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are four shorter (2.20 Å) and four longer (2.36 Å) Er–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 Er3+ atoms. In the second F1- site, F1- is bonded to one K1+ and three equivalent Er3+ atoms to form a mixture of distorted corner and edge-sharing FKEr3 tetrahedra.},

  doi          = {10.17188/1193113},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Fri Jul 24 00:00:00 EDT 2020},

  month        = {Fri Jul 24 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1193113

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