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Title: Materials Data on Na2HF4 by Materials Project

Abstract

Na2HF4 crystallizes in the monoclinic P2/m space group. The structure is three-dimensional. there are two inequivalent Na sites. In the first Na site, Na is bonded to six F atoms to form distorted edge-sharing NaF6 octahedra. There are four shorter (2.32 Å) and two longer (2.39 Å) Na–F bond lengths. In the second Na site, Na is bonded to six F atoms to form edge-sharing NaF6 octahedra. There are two shorter (2.29 Å) and four longer (2.37 Å) Na–F bond lengths. H is bonded in a linear geometry to two equivalent F atoms. Both H–F bond lengths are 1.14 Å. There are two inequivalent F sites. In the first F site, F is bonded in a distorted trigonal non-coplanar geometry to three Na atoms. In the second F site, F is bonded to three Na and one H atom to form a mixture of distorted corner and edge-sharing FNa3H tetrahedra.

Publication Date:
Other Number(s):
mp-37458
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; Na2HF4; F-H-Na
OSTI Identifier:
1207364
DOI:
10.17188/1207364

Citation Formats

The Materials Project. Materials Data on Na2HF4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1207364.
The Materials Project. Materials Data on Na2HF4 by Materials Project. United States. doi:10.17188/1207364.
The Materials Project. 2020. "Materials Data on Na2HF4 by Materials Project". United States. doi:10.17188/1207364. https://www.osti.gov/servlets/purl/1207364. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1207364,
title = {Materials Data on Na2HF4 by Materials Project},
author = {The Materials Project},
abstractNote = {Na2HF4 crystallizes in the monoclinic P2/m space group. The structure is three-dimensional. there are two inequivalent Na sites. In the first Na site, Na is bonded to six F atoms to form distorted edge-sharing NaF6 octahedra. There are four shorter (2.32 Å) and two longer (2.39 Å) Na–F bond lengths. In the second Na site, Na is bonded to six F atoms to form edge-sharing NaF6 octahedra. There are two shorter (2.29 Å) and four longer (2.37 Å) Na–F bond lengths. H is bonded in a linear geometry to two equivalent F atoms. Both H–F bond lengths are 1.14 Å. There are two inequivalent F sites. In the first F site, F is bonded in a distorted trigonal non-coplanar geometry to three Na atoms. In the second F site, F is bonded to three Na and one H atom to form a mixture of distorted corner and edge-sharing FNa3H tetrahedra.},
doi = {10.17188/1207364},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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