DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on ZnAgF5 by Materials Project

Abstract

AgZnF5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Ag3+ is bonded to six F1- atoms to form corner-sharing AgF6 octahedra. The corner-sharing octahedral tilt angles are 39°. There are a spread of Ag–F bond distances ranging from 2.07–2.12 Å. Zn2+ is bonded in a 4-coordinate geometry to seven F1- atoms. There are a spread of Zn–F bond distances ranging from 1.89–2.68 Å. There are five inequivalent F1- sites. In the first F1- site, F1- is bonded in a 2-coordinate geometry to one Ag3+ and two equivalent Zn2+ atoms. In the second F1- site, F1- is bonded in a 2-coordinate geometry to one Ag3+ and two equivalent Zn2+ atoms. In the third F1- site, F1- is bonded in a bent 150 degrees geometry to one Ag3+ and one Zn2+ atom. In the fourth F1- site, F1- is bonded in a linear geometry to one Ag3+ and one Zn2+ atom. In the fifth F1- site, F1- is bonded in a 3-coordinate geometry to two equivalent Ag3+ and one Zn2+ atom.

Authors:
Publication Date:
Other Number(s):
mvc-3414
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; ZnAgF5; Ag-F-Zn
OSTI Identifier:
1320557
DOI:
https://doi.org/10.17188/1320557

Citation Formats

The Materials Project. Materials Data on ZnAgF5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1320557.
The Materials Project. Materials Data on ZnAgF5 by Materials Project. United States. doi:https://doi.org/10.17188/1320557
The Materials Project. 2020. "Materials Data on ZnAgF5 by Materials Project". United States. doi:https://doi.org/10.17188/1320557. https://www.osti.gov/servlets/purl/1320557. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1320557,
title = {Materials Data on ZnAgF5 by Materials Project},
author = {The Materials Project},
abstractNote = {AgZnF5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Ag3+ is bonded to six F1- atoms to form corner-sharing AgF6 octahedra. The corner-sharing octahedral tilt angles are 39°. There are a spread of Ag–F bond distances ranging from 2.07–2.12 Å. Zn2+ is bonded in a 4-coordinate geometry to seven F1- atoms. There are a spread of Zn–F bond distances ranging from 1.89–2.68 Å. There are five inequivalent F1- sites. In the first F1- site, F1- is bonded in a 2-coordinate geometry to one Ag3+ and two equivalent Zn2+ atoms. In the second F1- site, F1- is bonded in a 2-coordinate geometry to one Ag3+ and two equivalent Zn2+ atoms. In the third F1- site, F1- is bonded in a bent 150 degrees geometry to one Ag3+ and one Zn2+ atom. In the fourth F1- site, F1- is bonded in a linear geometry to one Ag3+ and one Zn2+ atom. In the fifth F1- site, F1- is bonded in a 3-coordinate geometry to two equivalent Ag3+ and one Zn2+ atom.},
doi = {10.17188/1320557},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}