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Title: Materials Data on InAg3F6 by Materials Project

Abstract

Ag3InF6 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded to six F1- atoms to form AgF6 octahedra that share corners with six equivalent InF6 octahedra. The corner-sharing octahedra tilt angles range from 37–44°. There are a spread of Ag–F bond distances ranging from 2.43–2.55 Å. In the second Ag1+ site, Ag1+ is bonded in a 4-coordinate geometry to seven F1- atoms. There are a spread of Ag–F bond distances ranging from 2.43–3.02 Å. In3+ is bonded to six F1- atoms to form InF6 octahedra that share corners with six equivalent AgF6 octahedra. The corner-sharing octahedra tilt angles range from 37–44°. There are four shorter (2.11 Å) and two longer (2.13 Å) In–F bond lengths. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a 4-coordinate geometry to three Ag1+ and one In3+ atom. In the second F1- site, F1- is bonded in a 4-coordinate geometry to three Ag1+ and one In3+ atom. In the third F1- site, F1- is bonded in a 5-coordinate geometry to four Ag1+ and one In3+ atom.

Publication Date:
Other Number(s):
mp-1211988
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; InAg3F6; Ag-F-In
OSTI Identifier:
1680264
DOI:
https://doi.org/10.17188/1680264

Citation Formats

The Materials Project. Materials Data on InAg3F6 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1680264.
The Materials Project. Materials Data on InAg3F6 by Materials Project. United States. doi:https://doi.org/10.17188/1680264
The Materials Project. 2019. "Materials Data on InAg3F6 by Materials Project". United States. doi:https://doi.org/10.17188/1680264. https://www.osti.gov/servlets/purl/1680264. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1680264,
title = {Materials Data on InAg3F6 by Materials Project},
author = {The Materials Project},
abstractNote = {Ag3InF6 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded to six F1- atoms to form AgF6 octahedra that share corners with six equivalent InF6 octahedra. The corner-sharing octahedra tilt angles range from 37–44°. There are a spread of Ag–F bond distances ranging from 2.43–2.55 Å. In the second Ag1+ site, Ag1+ is bonded in a 4-coordinate geometry to seven F1- atoms. There are a spread of Ag–F bond distances ranging from 2.43–3.02 Å. In3+ is bonded to six F1- atoms to form InF6 octahedra that share corners with six equivalent AgF6 octahedra. The corner-sharing octahedra tilt angles range from 37–44°. There are four shorter (2.11 Å) and two longer (2.13 Å) In–F bond lengths. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a 4-coordinate geometry to three Ag1+ and one In3+ atom. In the second F1- site, F1- is bonded in a 4-coordinate geometry to three Ag1+ and one In3+ atom. In the third F1- site, F1- is bonded in a 5-coordinate geometry to four Ag1+ and one In3+ atom.},
doi = {10.17188/1680264},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}