U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on K3SiF7 by Materials Project
Abstract
K3SiF7 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 10-coordinate geometry to ten F1- atoms. There are a spread of K–F bond distances ranging from 2.69–2.94 Å. In the second K1+ site, K1+ is bonded to six F1- atoms to form KF6 octahedra that share corners with four equivalent SiF6 octahedra and corners with six equivalent KF6 octahedra. The corner-sharing octahedra tilt angles range from 0–69°. There are two shorter (2.81 Å) and four longer (2.96 Å) K–F bond lengths. Si4+ is bonded to six F1- atoms to form SiF6 octahedra that share corners with four equivalent KF6 octahedra. The corner-sharing octahedral tilt angles are 69°. All Si–F bond lengths are 1.72 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to three equivalent K1+ and one Si4+ atom. In the second F1- site, F1- is bonded to six K1+ atoms to form corner-sharing FK6 octahedra. The corner-sharing octahedra tilt angles range from 0–25°. In the third F1- site, F1- is bonded in a single-bond geometry to four K1+ andmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-13859
- 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; K3SiF7; F-K-Si
- OSTI Identifier:
- 1189781
- DOI:
- https://doi.org/10.17188/1189781
Citation Formats
The Materials Project. Materials Data on K3SiF7 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1189781.
The Materials Project. Materials Data on K3SiF7 by Materials Project. United States. doi:https://doi.org/10.17188/1189781
The Materials Project. 2020.
"Materials Data on K3SiF7 by Materials Project". United States. doi:https://doi.org/10.17188/1189781. https://www.osti.gov/servlets/purl/1189781. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1189781,
title = {Materials Data on K3SiF7 by Materials Project},
author = {The Materials Project},
abstractNote = {K3SiF7 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 10-coordinate geometry to ten F1- atoms. There are a spread of K–F bond distances ranging from 2.69–2.94 Å. In the second K1+ site, K1+ is bonded to six F1- atoms to form KF6 octahedra that share corners with four equivalent SiF6 octahedra and corners with six equivalent KF6 octahedra. The corner-sharing octahedra tilt angles range from 0–69°. There are two shorter (2.81 Å) and four longer (2.96 Å) K–F bond lengths. Si4+ is bonded to six F1- atoms to form SiF6 octahedra that share corners with four equivalent KF6 octahedra. The corner-sharing octahedral tilt angles are 69°. All Si–F bond lengths are 1.72 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to three equivalent K1+ and one Si4+ atom. In the second F1- site, F1- is bonded to six K1+ atoms to form corner-sharing FK6 octahedra. The corner-sharing octahedra tilt angles range from 0–25°. In the third F1- site, F1- is bonded in a single-bond geometry to four K1+ and one Si4+ atom.},
doi = {10.17188/1189781},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat Jul 18 00:00:00 EDT 2020},
month = {Sat Jul 18 00:00:00 EDT 2020}
}