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Title: Materials Data on ZnAgF3 by Materials Project

Abstract

AgZnF3 is Ilmenite structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Ag1+ is bonded to six equivalent F1- atoms to form distorted AgF6 octahedra that share corners with nine equivalent ZnF6 octahedra, edges with three equivalent AgF6 octahedra, and a faceface with one ZnF6 octahedra. The corner-sharing octahedra tilt angles range from 38–60°. There are three shorter (2.44 Å) and three longer (2.62 Å) Ag–F bond lengths. Zn2+ is bonded to six equivalent F1- atoms to form ZnF6 octahedra that share corners with nine equivalent AgF6 octahedra, edges with three equivalent ZnF6 octahedra, and a faceface with one AgF6 octahedra. The corner-sharing octahedra tilt angles range from 38–60°. There are three shorter (2.05 Å) and three longer (2.11 Å) Zn–F bond lengths. F1- is bonded in a 4-coordinate geometry to two equivalent Ag1+ and two equivalent Zn2+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-998537
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; ZnAgF3; Ag-F-Zn
OSTI Identifier:
1317344
DOI:
https://doi.org/10.17188/1317344

Citation Formats

The Materials Project. Materials Data on ZnAgF3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1317344.
The Materials Project. Materials Data on ZnAgF3 by Materials Project. United States. doi:https://doi.org/10.17188/1317344
The Materials Project. 2020. "Materials Data on ZnAgF3 by Materials Project". United States. doi:https://doi.org/10.17188/1317344. https://www.osti.gov/servlets/purl/1317344. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1317344,
title = {Materials Data on ZnAgF3 by Materials Project},
author = {The Materials Project},
abstractNote = {AgZnF3 is Ilmenite structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Ag1+ is bonded to six equivalent F1- atoms to form distorted AgF6 octahedra that share corners with nine equivalent ZnF6 octahedra, edges with three equivalent AgF6 octahedra, and a faceface with one ZnF6 octahedra. The corner-sharing octahedra tilt angles range from 38–60°. There are three shorter (2.44 Å) and three longer (2.62 Å) Ag–F bond lengths. Zn2+ is bonded to six equivalent F1- atoms to form ZnF6 octahedra that share corners with nine equivalent AgF6 octahedra, edges with three equivalent ZnF6 octahedra, and a faceface with one AgF6 octahedra. The corner-sharing octahedra tilt angles range from 38–60°. There are three shorter (2.05 Å) and three longer (2.11 Å) Zn–F bond lengths. F1- is bonded in a 4-coordinate geometry to two equivalent Ag1+ and two equivalent Zn2+ atoms.},
doi = {10.17188/1317344},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}