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

Title: Materials Data on Ag5CF4 by Materials Project

Abstract

Ag5CF4 crystallizes in the tetragonal P-4 space group. The structure is three-dimensional. there are six inequivalent Ag+1.20+ sites. In the first Ag+1.20+ site, Ag+1.20+ is bonded in a 5-coordinate geometry to one C2- and four F1- atoms. The Ag–C bond length is 2.15 Å. There are a spread of Ag–F bond distances ranging from 2.33–2.69 Å. In the second Ag+1.20+ site, Ag+1.20+ is bonded in a 4-coordinate geometry to four F1- atoms. There are a spread of Ag–F bond distances ranging from 2.38–2.68 Å. In the third Ag+1.20+ site, Ag+1.20+ is bonded in a 6-coordinate geometry to one C2- and five F1- atoms. The Ag–C bond length is 2.17 Å. There are a spread of Ag–F bond distances ranging from 2.24–2.92 Å. In the fourth Ag+1.20+ site, Ag+1.20+ is bonded in a 6-coordinate geometry to one C2- and five F1- atoms. The Ag–C bond length is 2.16 Å. There are a spread of Ag–F bond distances ranging from 2.21–2.95 Å. In the fifth Ag+1.20+ site, Ag+1.20+ is bonded in a 4-coordinate geometry to four F1- atoms. There are two shorter (2.38 Å) and two longer (2.52 Å) Ag–F bond lengths. In the sixth Ag+1.20+ site, Ag+1.20+ is bonded in amore » 4-coordinate geometry to six F1- atoms. There are a spread of Ag–F bond distances ranging from 2.46–2.96 Å. C2- is bonded in a 4-coordinate geometry to three Ag+1.20+ and one C2- atom. The C–C bond length is 1.32 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a 6-coordinate geometry to six Ag+1.20+ atoms. In the second F1- site, F1- is bonded in a 6-coordinate geometry to six Ag+1.20+ atoms. In the third F1- site, F1- is bonded in a 6-coordinate geometry to six Ag+1.20+ atoms. In the fourth F1- site, F1- is bonded in a 5-coordinate geometry to five Ag+1.20+ atoms.« less

Publication Date:
Other Number(s):
mp-29536
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; Ag5CF4; Ag-C-F
OSTI Identifier:
1203997
DOI:
https://doi.org/10.17188/1203997

Citation Formats

The Materials Project. Materials Data on Ag5CF4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1203997.
The Materials Project. Materials Data on Ag5CF4 by Materials Project. United States. doi:https://doi.org/10.17188/1203997
The Materials Project. 2020. "Materials Data on Ag5CF4 by Materials Project". United States. doi:https://doi.org/10.17188/1203997. https://www.osti.gov/servlets/purl/1203997. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1203997,
title = {Materials Data on Ag5CF4 by Materials Project},
author = {The Materials Project},
abstractNote = {Ag5CF4 crystallizes in the tetragonal P-4 space group. The structure is three-dimensional. there are six inequivalent Ag+1.20+ sites. In the first Ag+1.20+ site, Ag+1.20+ is bonded in a 5-coordinate geometry to one C2- and four F1- atoms. The Ag–C bond length is 2.15 Å. There are a spread of Ag–F bond distances ranging from 2.33–2.69 Å. In the second Ag+1.20+ site, Ag+1.20+ is bonded in a 4-coordinate geometry to four F1- atoms. There are a spread of Ag–F bond distances ranging from 2.38–2.68 Å. In the third Ag+1.20+ site, Ag+1.20+ is bonded in a 6-coordinate geometry to one C2- and five F1- atoms. The Ag–C bond length is 2.17 Å. There are a spread of Ag–F bond distances ranging from 2.24–2.92 Å. In the fourth Ag+1.20+ site, Ag+1.20+ is bonded in a 6-coordinate geometry to one C2- and five F1- atoms. The Ag–C bond length is 2.16 Å. There are a spread of Ag–F bond distances ranging from 2.21–2.95 Å. In the fifth Ag+1.20+ site, Ag+1.20+ is bonded in a 4-coordinate geometry to four F1- atoms. There are two shorter (2.38 Å) and two longer (2.52 Å) Ag–F bond lengths. In the sixth Ag+1.20+ site, Ag+1.20+ is bonded in a 4-coordinate geometry to six F1- atoms. There are a spread of Ag–F bond distances ranging from 2.46–2.96 Å. C2- is bonded in a 4-coordinate geometry to three Ag+1.20+ and one C2- atom. The C–C bond length is 1.32 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a 6-coordinate geometry to six Ag+1.20+ atoms. In the second F1- site, F1- is bonded in a 6-coordinate geometry to six Ag+1.20+ atoms. In the third F1- site, F1- is bonded in a 6-coordinate geometry to six Ag+1.20+ atoms. In the fourth F1- site, F1- is bonded in a 5-coordinate geometry to five Ag+1.20+ atoms.},
doi = {10.17188/1203997},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}