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Title: Materials Data on Cs2AgF4 by Materials Project

Abstract

Cs2AgF4 is (La,Ba)CuO4-like structured and crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. Cs1+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of Cs–F bond distances ranging from 3.00–3.29 Å. Ag2+ is bonded to six F1- atoms to form corner-sharing AgF6 octahedra. The corner-sharing octahedral tilt angles are 2°. There are a spread of Ag–F bond distances ranging from 2.16–2.50 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded to five equivalent Cs1+ and one Ag2+ atom to form distorted FCs5Ag octahedra that share corners with seventeen FCs4Ag2 octahedra, edges with eight equivalent FCs5Ag octahedra, and faces with four equivalent FCs4Ag2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°. In the second F1- site, F1- is bonded to four equivalent Cs1+ and two equivalent Ag2+ atoms to form a mixture of distorted edge, face, and corner-sharing FCs4Ag2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°.

Publication Date:
Other Number(s):
mp-510565
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; Cs2AgF4; Ag-Cs-F
OSTI Identifier:
1263003
DOI:
https://doi.org/10.17188/1263003

Citation Formats

The Materials Project. Materials Data on Cs2AgF4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1263003.
The Materials Project. Materials Data on Cs2AgF4 by Materials Project. United States. doi:https://doi.org/10.17188/1263003
The Materials Project. 2020. "Materials Data on Cs2AgF4 by Materials Project". United States. doi:https://doi.org/10.17188/1263003. https://www.osti.gov/servlets/purl/1263003. Pub date:Fri Jul 17 00:00:00 EDT 2020
@article{osti_1263003,
title = {Materials Data on Cs2AgF4 by Materials Project},
author = {The Materials Project},
abstractNote = {Cs2AgF4 is (La,Ba)CuO4-like structured and crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. Cs1+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of Cs–F bond distances ranging from 3.00–3.29 Å. Ag2+ is bonded to six F1- atoms to form corner-sharing AgF6 octahedra. The corner-sharing octahedral tilt angles are 2°. There are a spread of Ag–F bond distances ranging from 2.16–2.50 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded to five equivalent Cs1+ and one Ag2+ atom to form distorted FCs5Ag octahedra that share corners with seventeen FCs4Ag2 octahedra, edges with eight equivalent FCs5Ag octahedra, and faces with four equivalent FCs4Ag2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°. In the second F1- site, F1- is bonded to four equivalent Cs1+ and two equivalent Ag2+ atoms to form a mixture of distorted edge, face, and corner-sharing FCs4Ag2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°.},
doi = {10.17188/1263003},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}