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Title: Materials Data on RbAgF3 by Materials Project

Abstract

RbAgF3 is (Cubic) Perovskite structured and crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. Rb1+ is bonded to twelve F1- atoms to form RbF12 cuboctahedra that share corners with twelve equivalent RbF12 cuboctahedra, faces with six equivalent RbF12 cuboctahedra, and faces with eight equivalent AgF6 octahedra. There are eight shorter (3.13 Å) and four longer (3.16 Å) Rb–F bond lengths. Ag2+ is bonded to six F1- atoms to form AgF6 octahedra that share corners with six equivalent AgF6 octahedra and faces with eight equivalent RbF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. There are a spread of Ag–F bond distances ranging from 2.17–2.30 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted linear geometry to four equivalent Rb1+ and two equivalent Ag2+ atoms. In the second F1- site, F1- is bonded in a distorted linear geometry to four equivalent Rb1+ and two equivalent Ag2+ atoms.

Publication Date:
Other Number(s):
mp-7767
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; RbAgF3; Ag-F-Rb
OSTI Identifier:
1304385
DOI:
10.17188/1304385

Citation Formats

The Materials Project. Materials Data on RbAgF3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1304385.
The Materials Project. Materials Data on RbAgF3 by Materials Project. United States. doi:10.17188/1304385.
The Materials Project. 2020. "Materials Data on RbAgF3 by Materials Project". United States. doi:10.17188/1304385. https://www.osti.gov/servlets/purl/1304385. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1304385,
title = {Materials Data on RbAgF3 by Materials Project},
author = {The Materials Project},
abstractNote = {RbAgF3 is (Cubic) Perovskite structured and crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. Rb1+ is bonded to twelve F1- atoms to form RbF12 cuboctahedra that share corners with twelve equivalent RbF12 cuboctahedra, faces with six equivalent RbF12 cuboctahedra, and faces with eight equivalent AgF6 octahedra. There are eight shorter (3.13 Å) and four longer (3.16 Å) Rb–F bond lengths. Ag2+ is bonded to six F1- atoms to form AgF6 octahedra that share corners with six equivalent AgF6 octahedra and faces with eight equivalent RbF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. There are a spread of Ag–F bond distances ranging from 2.17–2.30 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted linear geometry to four equivalent Rb1+ and two equivalent Ag2+ atoms. In the second F1- site, F1- is bonded in a distorted linear geometry to four equivalent Rb1+ and two equivalent Ag2+ atoms.},
doi = {10.17188/1304385},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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