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

Title: Materials Data on Ag2F5 by Materials Project

Abstract

Ag2F5 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are six inequivalent Ag+2.50+ sites. In the first Ag+2.50+ site, Ag+2.50+ is bonded in a distorted square co-planar geometry to four F1- atoms. There are two shorter (2.05 Å) and two longer (2.13 Å) Ag–F bond lengths. In the second Ag+2.50+ site, Ag+2.50+ is bonded to six F1- atoms to form distorted corner-sharing AgF6 octahedra. The corner-sharing octahedra tilt angles range from 31–49°. There are a spread of Ag–F bond distances ranging from 2.04–2.62 Å. In the third Ag+2.50+ site, Ag+2.50+ is bonded to six F1- atoms to form corner-sharing AgF6 octahedra. The corner-sharing octahedra tilt angles range from 26–64°. There are a spread of Ag–F bond distances ranging from 2.08–2.37 Å. In the fourth Ag+2.50+ site, Ag+2.50+ is bonded in a square co-planar geometry to four F1- atoms. There is two shorter (1.96 Å) and two longer (2.00 Å) Ag–F bond length. In the fifth Ag+2.50+ site, Ag+2.50+ is bonded to six F1- atoms to form distorted corner-sharing AgF6 octahedra. The corner-sharing octahedra tilt angles range from 26–64°. There are a spread of Ag–F bond distances ranging from 2.00–2.73 Å. In the sixth Ag+2.50+ site, Ag+2.50+more » is bonded in a square co-planar geometry to four F1- atoms. There are a spread of Ag–F bond distances ranging from 1.95–2.00 Å. There are ten inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 120 degrees geometry to two Ag+2.50+ atoms. In the second F1- site, F1- is bonded in a 2-coordinate geometry to two Ag+2.50+ atoms. In the third F1- site, F1- is bonded in a single-bond geometry to one Ag+2.50+ atom. In the fourth F1- site, F1- is bonded in a distorted bent 120 degrees geometry to two Ag+2.50+ atoms. In the fifth F1- site, F1- is bonded in a bent 150 degrees geometry to two Ag+2.50+ atoms. In the sixth F1- site, F1- is bonded in a bent 150 degrees geometry to two Ag+2.50+ atoms. In the seventh F1- site, F1- is bonded in a distorted bent 120 degrees geometry to two Ag+2.50+ atoms. In the eighth F1- site, F1- is bonded in a bent 150 degrees geometry to two Ag+2.50+ atoms. In the ninth F1- site, F1- is bonded in a distorted trigonal planar geometry to three Ag+2.50+ atoms. In the tenth F1- site, F1- is bonded in a distorted single-bond geometry to two Ag+2.50+ atoms.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-542298
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; Ag2F5; Ag-F
OSTI Identifier:
1266490
DOI:
10.17188/1266490

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Ag2F5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1266490.
Persson, Kristin, & Project, Materials. Materials Data on Ag2F5 by Materials Project. United States. doi:10.17188/1266490.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Ag2F5 by Materials Project". United States. doi:10.17188/1266490. https://www.osti.gov/servlets/purl/1266490. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1266490,
title = {Materials Data on Ag2F5 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Ag2F5 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are six inequivalent Ag+2.50+ sites. In the first Ag+2.50+ site, Ag+2.50+ is bonded in a distorted square co-planar geometry to four F1- atoms. There are two shorter (2.05 Å) and two longer (2.13 Å) Ag–F bond lengths. In the second Ag+2.50+ site, Ag+2.50+ is bonded to six F1- atoms to form distorted corner-sharing AgF6 octahedra. The corner-sharing octahedra tilt angles range from 31–49°. There are a spread of Ag–F bond distances ranging from 2.04–2.62 Å. In the third Ag+2.50+ site, Ag+2.50+ is bonded to six F1- atoms to form corner-sharing AgF6 octahedra. The corner-sharing octahedra tilt angles range from 26–64°. There are a spread of Ag–F bond distances ranging from 2.08–2.37 Å. In the fourth Ag+2.50+ site, Ag+2.50+ is bonded in a square co-planar geometry to four F1- atoms. There is two shorter (1.96 Å) and two longer (2.00 Å) Ag–F bond length. In the fifth Ag+2.50+ site, Ag+2.50+ is bonded to six F1- atoms to form distorted corner-sharing AgF6 octahedra. The corner-sharing octahedra tilt angles range from 26–64°. There are a spread of Ag–F bond distances ranging from 2.00–2.73 Å. In the sixth Ag+2.50+ site, Ag+2.50+ is bonded in a square co-planar geometry to four F1- atoms. There are a spread of Ag–F bond distances ranging from 1.95–2.00 Å. There are ten inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 120 degrees geometry to two Ag+2.50+ atoms. In the second F1- site, F1- is bonded in a 2-coordinate geometry to two Ag+2.50+ atoms. In the third F1- site, F1- is bonded in a single-bond geometry to one Ag+2.50+ atom. In the fourth F1- site, F1- is bonded in a distorted bent 120 degrees geometry to two Ag+2.50+ atoms. In the fifth F1- site, F1- is bonded in a bent 150 degrees geometry to two Ag+2.50+ atoms. In the sixth F1- site, F1- is bonded in a bent 150 degrees geometry to two Ag+2.50+ atoms. In the seventh F1- site, F1- is bonded in a distorted bent 120 degrees geometry to two Ag+2.50+ atoms. In the eighth F1- site, F1- is bonded in a bent 150 degrees geometry to two Ag+2.50+ atoms. In the ninth F1- site, F1- is bonded in a distorted trigonal planar geometry to three Ag+2.50+ atoms. In the tenth F1- site, F1- is bonded in a distorted single-bond geometry to two Ag+2.50+ atoms.},
doi = {10.17188/1266490},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

Dataset:

Save / Share: