U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on KTb3F12 by Materials Project
Abstract
KTb3F12 crystallizes in the tetragonal I4/m space group. The structure is three-dimensional. K1+ is bonded in a distorted cuboctahedral geometry to twelve F1- atoms. There are four shorter (2.74 Å) and eight longer (3.15 Å) K–F bond lengths. There are two inequivalent Tb+3.67+ sites. In the first Tb+3.67+ site, Tb+3.67+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are four shorter (2.26 Å) and four longer (2.34 Å) Tb–F bond lengths. In the second Tb+3.67+ site, Tb+3.67+ is bonded in a body-centered cubic geometry to eight equivalent F1- atoms. All Tb–F bond lengths are 2.29 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one K1+ and two Tb+3.67+ atoms. In the second F1- site, F1- is bonded in a trigonal planar geometry to one K1+ and two equivalent Tb+3.67+ atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-29788
- 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; KTb3F12; F-K-Tb
- OSTI Identifier:
- 1204245
- DOI:
- https://doi.org/10.17188/1204245
Citation Formats
The Materials Project. Materials Data on KTb3F12 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1204245.
The Materials Project. Materials Data on KTb3F12 by Materials Project. United States. doi:https://doi.org/10.17188/1204245
The Materials Project. 2020.
"Materials Data on KTb3F12 by Materials Project". United States. doi:https://doi.org/10.17188/1204245. https://www.osti.gov/servlets/purl/1204245. Pub date:Fri Jul 17 00:00:00 EDT 2020
@article{osti_1204245,
title = {Materials Data on KTb3F12 by Materials Project},
author = {The Materials Project},
abstractNote = {KTb3F12 crystallizes in the tetragonal I4/m space group. The structure is three-dimensional. K1+ is bonded in a distorted cuboctahedral geometry to twelve F1- atoms. There are four shorter (2.74 Å) and eight longer (3.15 Å) K–F bond lengths. There are two inequivalent Tb+3.67+ sites. In the first Tb+3.67+ site, Tb+3.67+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are four shorter (2.26 Å) and four longer (2.34 Å) Tb–F bond lengths. In the second Tb+3.67+ site, Tb+3.67+ is bonded in a body-centered cubic geometry to eight equivalent F1- atoms. All Tb–F bond lengths are 2.29 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one K1+ and two Tb+3.67+ atoms. In the second F1- site, F1- is bonded in a trigonal planar geometry to one K1+ and two equivalent Tb+3.67+ atoms.},
doi = {10.17188/1204245},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}