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Title: Materials Data on AgBF5 by Materials Project

Abstract

AgFBF4 crystallizes in the tetragonal P4/n space group. The structure is three-dimensional. Ag2+ is bonded to six F1- atoms to form AgF6 octahedra that share corners with two equivalent AgF6 octahedra and corners with four equivalent BF4 tetrahedra. The corner-sharing octahedral tilt angles are 0°. There are a spread of Ag–F bond distances ranging from 2.05–2.39 Å. B3+ is bonded to four equivalent F1- atoms to form BF4 tetrahedra that share corners with four equivalent AgF6 octahedra. The corner-sharing octahedral tilt angles are 48°. All B–F bond lengths are 1.42 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a linear geometry to two equivalent Ag2+ atoms. In the second F1- site, F1- is bonded in a distorted single-bond geometry to one Ag2+ and one B3+ atom.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-5160
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; AgBF5; Ag-B-F
OSTI Identifier:
1263115
DOI:
10.17188/1263115

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on AgBF5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1263115.
Persson, Kristin, & Project, Materials. Materials Data on AgBF5 by Materials Project. United States. doi:10.17188/1263115.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on AgBF5 by Materials Project". United States. doi:10.17188/1263115. https://www.osti.gov/servlets/purl/1263115. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1263115,
title = {Materials Data on AgBF5 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {AgFBF4 crystallizes in the tetragonal P4/n space group. The structure is three-dimensional. Ag2+ is bonded to six F1- atoms to form AgF6 octahedra that share corners with two equivalent AgF6 octahedra and corners with four equivalent BF4 tetrahedra. The corner-sharing octahedral tilt angles are 0°. There are a spread of Ag–F bond distances ranging from 2.05–2.39 Å. B3+ is bonded to four equivalent F1- atoms to form BF4 tetrahedra that share corners with four equivalent AgF6 octahedra. The corner-sharing octahedral tilt angles are 48°. All B–F bond lengths are 1.42 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a linear geometry to two equivalent Ag2+ atoms. In the second F1- site, F1- is bonded in a distorted single-bond geometry to one Ag2+ and one B3+ atom.},
doi = {10.17188/1263115},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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