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Title: Materials Data on AlF3 by Materials Project

Abstract

AlF3 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Al3+ is bonded to six F1- atoms to form corner-sharing AlF6 octahedra. The corner-sharing octahedra tilt angles range from 4–26°. There is four shorter (1.81 Å) and two longer (1.85 Å) Al–F bond length. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a linear geometry to two equivalent Al3+ atoms. In the second F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent Al3+ atoms.

Publication Date:
Other Number(s):
mp-1183007
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; AlF3; Al-F
OSTI Identifier:
1666691
DOI:
https://doi.org/10.17188/1666691

Citation Formats

The Materials Project. Materials Data on AlF3 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1666691.
The Materials Project. Materials Data on AlF3 by Materials Project. United States. doi:https://doi.org/10.17188/1666691
The Materials Project. 2019. "Materials Data on AlF3 by Materials Project". United States. doi:https://doi.org/10.17188/1666691. https://www.osti.gov/servlets/purl/1666691. Pub date:Fri Jan 11 00:00:00 EST 2019
@article{osti_1666691,
title = {Materials Data on AlF3 by Materials Project},
author = {The Materials Project},
abstractNote = {AlF3 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Al3+ is bonded to six F1- atoms to form corner-sharing AlF6 octahedra. The corner-sharing octahedra tilt angles range from 4–26°. There is four shorter (1.81 Å) and two longer (1.85 Å) Al–F bond length. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a linear geometry to two equivalent Al3+ atoms. In the second F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent Al3+ atoms.},
doi = {10.17188/1666691},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}