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Title: Materials Data on KNaSiF6 by Materials Project

Abstract

KNaSiF6 crystallizes in the orthorhombic Pnma 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 2.69–3.15 Å. Na1+ is bonded in a 10-coordinate geometry to ten F1- atoms. There are a spread of Na–F bond distances ranging from 2.31–2.82 Å. Si4+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of Si–F bond distances ranging from 1.71–1.74 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to two equivalent K1+, one Na1+, and one Si4+ atom. In the second F1- site, F1- is bonded in a distorted single-bond geometry to one K1+, two equivalent Na1+, and one Si4+ atom. In the third F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two equivalent K1+, one Na1+, and one Si4+ atom. In the fourth F1- site, F1- is bonded in a distorted single-bond geometry to one K1+, three equivalent Na1+, and one Si4+ atom.

Authors:
Publication Date:
Other Number(s):
mp-556934
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; KNaSiF6; F-K-Na-Si
OSTI Identifier:
1269616
DOI:
https://doi.org/10.17188/1269616

Citation Formats

The Materials Project. Materials Data on KNaSiF6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1269616.
The Materials Project. Materials Data on KNaSiF6 by Materials Project. United States. doi:https://doi.org/10.17188/1269616
The Materials Project. 2020. "Materials Data on KNaSiF6 by Materials Project". United States. doi:https://doi.org/10.17188/1269616. https://www.osti.gov/servlets/purl/1269616. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1269616,
title = {Materials Data on KNaSiF6 by Materials Project},
author = {The Materials Project},
abstractNote = {KNaSiF6 crystallizes in the orthorhombic Pnma 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 2.69–3.15 Å. Na1+ is bonded in a 10-coordinate geometry to ten F1- atoms. There are a spread of Na–F bond distances ranging from 2.31–2.82 Å. Si4+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of Si–F bond distances ranging from 1.71–1.74 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to two equivalent K1+, one Na1+, and one Si4+ atom. In the second F1- site, F1- is bonded in a distorted single-bond geometry to one K1+, two equivalent Na1+, and one Si4+ atom. In the third F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two equivalent K1+, one Na1+, and one Si4+ atom. In the fourth F1- site, F1- is bonded in a distorted single-bond geometry to one K1+, three equivalent Na1+, and one Si4+ atom.},
doi = {10.17188/1269616},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Jul 22 00:00:00 EDT 2020},
month = {Wed Jul 22 00:00:00 EDT 2020}
}