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Title: Materials Data on K3ErF6 by Materials Project

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.

Publication Date:
Other Number(s):
mp-1206193
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; K3ErF6; Er-F-K
OSTI Identifier:
1729480
DOI:
https://doi.org/10.17188/1729480

Citation Formats

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