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Title: Materials Data on K3TbF6 by Materials Project

Abstract

K3TbF6 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 2.69 Å. In the second K1+ site, K1+ is bonded in a linear geometry to two equivalent F1- atoms. Both K–F bond lengths are 2.40 Å. Tb3+ is bonded in an octahedral geometry to six F1- atoms. There are four shorter (2.20 Å) and two longer (2.21 Å) Tb–F bond lengths. 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 Tb3+ atom. In the second F1- site, F1- is bonded in a linear geometry to one K1+ and one Tb3+ atom.

Authors:
Publication Date:
Other Number(s):
mp-1205709
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; K3TbF6; F-K-Tb
OSTI Identifier:
1717228
DOI:
https://doi.org/10.17188/1717228

Citation Formats

The Materials Project. Materials Data on K3TbF6 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1717228.
The Materials Project. Materials Data on K3TbF6 by Materials Project. United States. doi:https://doi.org/10.17188/1717228
The Materials Project. 2019. "Materials Data on K3TbF6 by Materials Project". United States. doi:https://doi.org/10.17188/1717228. https://www.osti.gov/servlets/purl/1717228. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1717228,
title = {Materials Data on K3TbF6 by Materials Project},
author = {The Materials Project},
abstractNote = {K3TbF6 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 2.69 Å. In the second K1+ site, K1+ is bonded in a linear geometry to two equivalent F1- atoms. Both K–F bond lengths are 2.40 Å. Tb3+ is bonded in an octahedral geometry to six F1- atoms. There are four shorter (2.20 Å) and two longer (2.21 Å) Tb–F bond lengths. 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 Tb3+ atom. In the second F1- site, F1- is bonded in a linear geometry to one K1+ and one Tb3+ atom.},
doi = {10.17188/1717228},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}