U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on K3YbF6 by Materials Project
Abstract
K3YbF6 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 to eight F1- atoms to form distorted KF8 hexagonal bipyramids that share corners with four equivalent KF8 hexagonal bipyramids, edges with six equivalent KF8 hexagonal bipyramids, and edges with four equivalent YbF6 octahedra. There are four shorter (2.64 Å) and four longer (3.32 Å) K–F bond lengths. In the second K1+ site, K1+ is bonded in a linear geometry to two equivalent F1- atoms. Both K–F bond lengths are 2.50 Å. Yb3+ is bonded to six F1- atoms to form YbF6 octahedra that share edges with eight equivalent KF8 hexagonal bipyramids. There are four shorter (2.15 Å) and two longer (2.24 Å) Yb–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 Yb3+ atom. In the second F1- site, F1- is bonded in a distorted linear geometry to five K1+ and one Yb3+ atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1205738
- 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; K3YbF6; F-K-Yb
- OSTI Identifier:
- 1709915
- DOI:
- https://doi.org/10.17188/1709915
Citation Formats
The Materials Project. Materials Data on K3YbF6 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1709915.
The Materials Project. Materials Data on K3YbF6 by Materials Project. United States. doi:https://doi.org/10.17188/1709915
The Materials Project. 2019.
"Materials Data on K3YbF6 by Materials Project". United States. doi:https://doi.org/10.17188/1709915. https://www.osti.gov/servlets/purl/1709915. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1709915,
title = {Materials Data on K3YbF6 by Materials Project},
author = {The Materials Project},
abstractNote = {K3YbF6 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 to eight F1- atoms to form distorted KF8 hexagonal bipyramids that share corners with four equivalent KF8 hexagonal bipyramids, edges with six equivalent KF8 hexagonal bipyramids, and edges with four equivalent YbF6 octahedra. There are four shorter (2.64 Å) and four longer (3.32 Å) K–F bond lengths. In the second K1+ site, K1+ is bonded in a linear geometry to two equivalent F1- atoms. Both K–F bond lengths are 2.50 Å. Yb3+ is bonded to six F1- atoms to form YbF6 octahedra that share edges with eight equivalent KF8 hexagonal bipyramids. There are four shorter (2.15 Å) and two longer (2.24 Å) Yb–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 Yb3+ atom. In the second F1- site, F1- is bonded in a distorted linear geometry to five K1+ and one Yb3+ atom.},
doi = {10.17188/1709915},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}