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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°.

Authors:
Publication Date:
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)
Contributing Org.:
MIT; UC Berkeley; Duke; U Louvain
OSTI Identifier:
1263003
Report Number(s):
mp-510565
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Resource Type:
Data
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; crystal structure; Cs2AgF4; Ag-Cs-F

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. https://doi.org/10.17188/1263003
The Materials Project. 2020. "Materials Data on Cs2AgF4 by Materials Project". United States. https://doi.org/10.17188/1263003. https://www.osti.gov/servlets/purl/1263003.
@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},
url = {https://www.osti.gov/biblio/1263003}, journal = {},
number = ,
volume = ,
place = {United States},
year = {Fri Jul 17 00:00:00 EDT 2020},
month = {Fri Jul 17 00:00:00 EDT 2020}
}