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Title: Materials Data on KAgF3 by Materials Project

Abstract

KAgF3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of K–F bond distances ranging from 2.75–2.98 Å. Ag2+ is bonded to six F1- atoms to form corner-sharing AgF6 octahedra. The corner-sharing octahedra tilt angles range from 24–25°. There are a spread of Ag–F bond distances ranging from 2.11–2.45 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a 4-coordinate geometry to two equivalent K1+ and two equivalent Ag2+ atoms. In the second F1- site, F1- is bonded in a 5-coordinate geometry to three equivalent K1+ and two equivalent Ag2+ atoms.

Publication Date:
Other Number(s):
mp-1205357
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; KAgF3; Ag-F-K
OSTI Identifier:
1662430
DOI:
https://doi.org/10.17188/1662430

Citation Formats

The Materials Project. Materials Data on KAgF3 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1662430.
The Materials Project. Materials Data on KAgF3 by Materials Project. United States. doi:https://doi.org/10.17188/1662430
The Materials Project. 2019. "Materials Data on KAgF3 by Materials Project". United States. doi:https://doi.org/10.17188/1662430. https://www.osti.gov/servlets/purl/1662430. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1662430,
title = {Materials Data on KAgF3 by Materials Project},
author = {The Materials Project},
abstractNote = {KAgF3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of K–F bond distances ranging from 2.75–2.98 Å. Ag2+ is bonded to six F1- atoms to form corner-sharing AgF6 octahedra. The corner-sharing octahedra tilt angles range from 24–25°. There are a spread of Ag–F bond distances ranging from 2.11–2.45 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a 4-coordinate geometry to two equivalent K1+ and two equivalent Ag2+ atoms. In the second F1- site, F1- is bonded in a 5-coordinate geometry to three equivalent K1+ and two equivalent Ag2+ atoms.},
doi = {10.17188/1662430},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}