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Title: Materials Data on KTb3F10 by Materials Project

Abstract

KTb3F10 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 (2.81 Å) and twelve longer (3.25 Å) K–F bond lengths. Tb3+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are four shorter (2.23 Å) and four longer (2.39 Å) Tb–F bond lengths. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded to one K1+ and three equivalent Tb3+ atoms to form a mixture of distorted edge and corner-sharing FKTb3 tetrahedra. In the second F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent K1+ and two equivalent Tb3+ atoms.

Publication Date:
Other Number(s):
mp-17838
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; KTb3F10; F-K-Tb
OSTI Identifier:
1192725
DOI:
https://doi.org/10.17188/1192725

Citation Formats

The Materials Project. Materials Data on KTb3F10 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1192725.
The Materials Project. Materials Data on KTb3F10 by Materials Project. United States. doi:https://doi.org/10.17188/1192725
The Materials Project. 2020. "Materials Data on KTb3F10 by Materials Project". United States. doi:https://doi.org/10.17188/1192725. https://www.osti.gov/servlets/purl/1192725. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1192725,
title = {Materials Data on KTb3F10 by Materials Project},
author = {The Materials Project},
abstractNote = {KTb3F10 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 (2.81 Å) and twelve longer (3.25 Å) K–F bond lengths. Tb3+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are four shorter (2.23 Å) and four longer (2.39 Å) Tb–F bond lengths. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded to one K1+ and three equivalent Tb3+ atoms to form a mixture of distorted edge and corner-sharing FKTb3 tetrahedra. In the second F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent K1+ and two equivalent Tb3+ atoms.},
doi = {10.17188/1192725},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}