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Title: Materials Data on RbGaAgF6 by Materials Project

Abstract

RbAgGaF6 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Rb1+ is bonded in a 7-coordinate geometry to seven F1- atoms. There are a spread of Rb–F bond distances ranging from 3.05–3.10 Å. Ag2+ is bonded to six F1- atoms to form distorted AgF6 octahedra that share corners with two equivalent AgF6 octahedra and corners with four equivalent GaF6 octahedra. The corner-sharing octahedra tilt angles range from 50–64°. There are a spread of Ag–F bond distances ranging from 2.09–2.38 Å. Ga3+ is bonded to six F1- atoms to form GaF6 octahedra that share corners with two equivalent GaF6 octahedra and corners with four equivalent AgF6 octahedra. The corner-sharing octahedra tilt angles range from 23–64°. There are a spread of Ga–F bond distances ranging from 1.89–1.95 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted bent 120 degrees geometry to one Rb1+ and two equivalent Ag2+ atoms. In the second F1- site, F1- is bonded in a 1-coordinate geometry to one Rb1+, one Ag2+, and one Ga3+ atom. In the third F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent Ga3+ atoms. In the fourthmore » F1- site, F1- is bonded in a 4-coordinate geometry to two equivalent Rb1+, one Ag2+, and one Ga3+ atom.« less

Publication Date:
Other Number(s):
mp-1209226
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; RbGaAgF6; Ag-F-Ga-Rb
OSTI Identifier:
1663021
DOI:
https://doi.org/10.17188/1663021

Citation Formats

The Materials Project. Materials Data on RbGaAgF6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1663021.
The Materials Project. Materials Data on RbGaAgF6 by Materials Project. United States. doi:https://doi.org/10.17188/1663021
The Materials Project. 2020. "Materials Data on RbGaAgF6 by Materials Project". United States. doi:https://doi.org/10.17188/1663021. https://www.osti.gov/servlets/purl/1663021. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1663021,
title = {Materials Data on RbGaAgF6 by Materials Project},
author = {The Materials Project},
abstractNote = {RbAgGaF6 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Rb1+ is bonded in a 7-coordinate geometry to seven F1- atoms. There are a spread of Rb–F bond distances ranging from 3.05–3.10 Å. Ag2+ is bonded to six F1- atoms to form distorted AgF6 octahedra that share corners with two equivalent AgF6 octahedra and corners with four equivalent GaF6 octahedra. The corner-sharing octahedra tilt angles range from 50–64°. There are a spread of Ag–F bond distances ranging from 2.09–2.38 Å. Ga3+ is bonded to six F1- atoms to form GaF6 octahedra that share corners with two equivalent GaF6 octahedra and corners with four equivalent AgF6 octahedra. The corner-sharing octahedra tilt angles range from 23–64°. There are a spread of Ga–F bond distances ranging from 1.89–1.95 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted bent 120 degrees geometry to one Rb1+ and two equivalent Ag2+ atoms. In the second F1- site, F1- is bonded in a 1-coordinate geometry to one Rb1+, one Ag2+, and one Ga3+ atom. In the third F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent Ga3+ atoms. In the fourth F1- site, F1- is bonded in a 4-coordinate geometry to two equivalent Rb1+, one Ag2+, and one Ga3+ atom.},
doi = {10.17188/1663021},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}