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Title: Materials Data on K2AgF4 by Materials Project

Abstract

K2AgF4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. K1+ is bonded to seven F1- atoms to form distorted KF7 pentagonal bipyramids that share corners with two equivalent AgF6 octahedra, corners with six equivalent KF7 pentagonal bipyramids, edges with four equivalent AgF6 octahedra, edges with three equivalent KF7 pentagonal bipyramids, and faces with two equivalent KF7 pentagonal bipyramids. The corner-sharing octahedra tilt angles range from 41–61°. There are a spread of K–F bond distances ranging from 2.64–2.93 Å. Ag2+ is bonded to six F1- atoms to form distorted AgF6 octahedra that share corners with four equivalent KF7 pentagonal bipyramids, edges with two equivalent AgF6 octahedra, and edges with eight equivalent KF7 pentagonal bipyramids. There are a spread of Ag–F bond distances ranging from 2.14–2.83 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a 5-coordinate geometry to four equivalent K1+ and one Ag2+ atom. In the second F1- site, F1- is bonded in a 5-coordinate geometry to three equivalent K1+ and two equivalent Ag2+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-1104293
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; K2AgF4; Ag-F-K
OSTI Identifier:
1753621
DOI:
https://doi.org/10.17188/1753621

Citation Formats

The Materials Project. Materials Data on K2AgF4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1753621.
The Materials Project. Materials Data on K2AgF4 by Materials Project. United States. doi:https://doi.org/10.17188/1753621
The Materials Project. 2020. "Materials Data on K2AgF4 by Materials Project". United States. doi:https://doi.org/10.17188/1753621. https://www.osti.gov/servlets/purl/1753621. Pub date:Sat May 09 00:00:00 EDT 2020
@article{osti_1753621,
title = {Materials Data on K2AgF4 by Materials Project},
author = {The Materials Project},
abstractNote = {K2AgF4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. K1+ is bonded to seven F1- atoms to form distorted KF7 pentagonal bipyramids that share corners with two equivalent AgF6 octahedra, corners with six equivalent KF7 pentagonal bipyramids, edges with four equivalent AgF6 octahedra, edges with three equivalent KF7 pentagonal bipyramids, and faces with two equivalent KF7 pentagonal bipyramids. The corner-sharing octahedra tilt angles range from 41–61°. There are a spread of K–F bond distances ranging from 2.64–2.93 Å. Ag2+ is bonded to six F1- atoms to form distorted AgF6 octahedra that share corners with four equivalent KF7 pentagonal bipyramids, edges with two equivalent AgF6 octahedra, and edges with eight equivalent KF7 pentagonal bipyramids. There are a spread of Ag–F bond distances ranging from 2.14–2.83 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a 5-coordinate geometry to four equivalent K1+ and one Ag2+ atom. In the second F1- site, F1- is bonded in a 5-coordinate geometry to three equivalent K1+ and two equivalent Ag2+ atoms.},
doi = {10.17188/1753621},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}