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Title: Materials Data on NaAlF4 by Materials Project

Abstract

NaAlF4 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Na1+ is bonded in a body-centered cubic geometry to eight equivalent F1- atoms. All Na–F bond lengths are 2.86 Å. Al3+ is bonded to six F1- atoms to form corner-sharing AlF6 octahedra. The corner-sharing octahedral tilt angles are 0°. There is two shorter (1.80 Å) and four longer (1.81 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 distorted single-bond geometry to four equivalent Na1+ and one Al3+ atom.

Publication Date:
Other Number(s):
mp-7723
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; NaAlF4; Al-F-Na
OSTI Identifier:
1301163
DOI:
10.17188/1301163

Citation Formats

The Materials Project. Materials Data on NaAlF4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1301163.
The Materials Project. Materials Data on NaAlF4 by Materials Project. United States. doi:10.17188/1301163.
The Materials Project. 2020. "Materials Data on NaAlF4 by Materials Project". United States. doi:10.17188/1301163. https://www.osti.gov/servlets/purl/1301163. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1301163,
title = {Materials Data on NaAlF4 by Materials Project},
author = {The Materials Project},
abstractNote = {NaAlF4 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Na1+ is bonded in a body-centered cubic geometry to eight equivalent F1- atoms. All Na–F bond lengths are 2.86 Å. Al3+ is bonded to six F1- atoms to form corner-sharing AlF6 octahedra. The corner-sharing octahedral tilt angles are 0°. There is two shorter (1.80 Å) and four longer (1.81 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 distorted single-bond geometry to four equivalent Na1+ and one Al3+ atom.},
doi = {10.17188/1301163},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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