U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on K2ZnF4 by Materials Project
Abstract
K2ZnF4 is (La,Ba)CuO4 structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. K1+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of K–F bond distances ranging from 2.65–2.93 Å. Zn2+ is bonded to six F1- atoms to form corner-sharing ZnF6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are two shorter (2.05 Å) and four longer (2.07 Å) Zn–F bond lengths. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded to five equivalent K1+ and one Zn2+ atom to form distorted FK5Zn octahedra that share corners with seventeen FK5Zn octahedra, edges with eight equivalent FK5Zn octahedra, and faces with four equivalent FK4Zn2 octahedra. The corner-sharing octahedra tilt angles range from 0–57°. In the second F1- site, F1- is bonded to four equivalent K1+ and two equivalent Zn2+ atoms to form distorted FK4Zn2 octahedra that share corners with fourteen FK5Zn octahedra, edges with two equivalent FK4Zn2 octahedra, and faces with eight FK5Zn octahedra. The corner-sharing octahedra tilt angles range from 0–57°.
- Authors:
- Publication Date:
- Other Number(s):
- mp-9583
- 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; K2ZnF4; F-K-Zn
- OSTI Identifier:
- 1313354
- DOI:
- https://doi.org/10.17188/1313354
Citation Formats
The Materials Project. Materials Data on K2ZnF4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1313354.
The Materials Project. Materials Data on K2ZnF4 by Materials Project. United States. doi:https://doi.org/10.17188/1313354
The Materials Project. 2020.
"Materials Data on K2ZnF4 by Materials Project". United States. doi:https://doi.org/10.17188/1313354. https://www.osti.gov/servlets/purl/1313354. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1313354,
title = {Materials Data on K2ZnF4 by Materials Project},
author = {The Materials Project},
abstractNote = {K2ZnF4 is (La,Ba)CuO4 structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. K1+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of K–F bond distances ranging from 2.65–2.93 Å. Zn2+ is bonded to six F1- atoms to form corner-sharing ZnF6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are two shorter (2.05 Å) and four longer (2.07 Å) Zn–F bond lengths. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded to five equivalent K1+ and one Zn2+ atom to form distorted FK5Zn octahedra that share corners with seventeen FK5Zn octahedra, edges with eight equivalent FK5Zn octahedra, and faces with four equivalent FK4Zn2 octahedra. The corner-sharing octahedra tilt angles range from 0–57°. In the second F1- site, F1- is bonded to four equivalent K1+ and two equivalent Zn2+ atoms to form distorted FK4Zn2 octahedra that share corners with fourteen FK5Zn octahedra, edges with two equivalent FK4Zn2 octahedra, and faces with eight FK5Zn octahedra. The corner-sharing octahedra tilt angles range from 0–57°.},
doi = {10.17188/1313354},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}