Materials Data on K3ErF6 by Materials Project

doi:10.17188/1729480

Title: Materials Data on K3ErF6 by Materials Project

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Abstract

K3ErF6 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 8-coordinate geometry to four equivalent F1- atoms. All K–F bond lengths are 2.66 Å. In the second K1+ site, K1+ is bonded in a linear geometry to two equivalent F1- atoms. Both K–F bond lengths are 2.41 Å. Er3+ is bonded in an octahedral geometry to six F1- atoms. All Er–F bond lengths are 2.16 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted trigonal planar geometry to two equivalent K1+ and one Er3+ atom. In the second F1- site, F1- is bonded in a linear geometry to one K1+ and one Er3+ atom.

Authors:: The Materials Project

Publication Date:: 2019-01-12

Other Number(s):: mp-1206193

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; K3ErF6; Er-F-K

OSTI Identifier:: 1729480

DOI:: https://doi.org/10.17188/1729480

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                    The Materials Project. Materials Data on K3ErF6 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1729480.

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                    The Materials Project. Materials Data on K3ErF6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1729480

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                    The Materials Project. 2019.  
"Materials Data on K3ErF6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1729480.  https://www.osti.gov/servlets/purl/1729480. Pub date:Sat Jan 12 00:00:00 EST 2019

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@article{osti_1729480,

  title        = {Materials Data on K3ErF6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {K3ErF6 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 8-coordinate geometry to four equivalent F1- atoms. All K–F bond lengths are 2.66 Å. In the second K1+ site, K1+ is bonded in a linear geometry to two equivalent F1- atoms. Both K–F bond lengths are 2.41 Å. Er3+ is bonded in an octahedral geometry to six F1- atoms. All Er–F bond lengths are 2.16 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted trigonal planar geometry to two equivalent K1+ and one Er3+ atom. In the second F1- site, F1- is bonded in a linear geometry to one K1+ and one Er3+ atom.},

  doi          = {10.17188/1729480},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

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DOI: https://doi.org/10.17188/1729480

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