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Title: Materials Data on NaHF2 by Materials Project

Abstract

NaHF2 crystallizes in the triclinic P1 space group. The structure is three-dimensional. Na1+ is bonded in a 6-coordinate geometry to six F1- atoms. There are a spread of Na–F bond distances ranging from 2.30–2.48 Å. H1+ is bonded in a linear geometry to two F1- atoms. There is one shorter (1.14 Å) and one longer (1.15 Å) H–F bond length. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to three equivalent Na1+ and one H1+ atom. In the second F1- site, F1- is bonded in a distorted single-bond geometry to three equivalent Na1+ and one H1+ atom.

Publication Date:
Other Number(s):
mp-1179886
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; NaHF2; F-H-Na
OSTI Identifier:
1667056
DOI:
https://doi.org/10.17188/1667056

Citation Formats

The Materials Project. Materials Data on NaHF2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1667056.
The Materials Project. Materials Data on NaHF2 by Materials Project. United States. doi:https://doi.org/10.17188/1667056
The Materials Project. 2020. "Materials Data on NaHF2 by Materials Project". United States. doi:https://doi.org/10.17188/1667056. https://www.osti.gov/servlets/purl/1667056. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1667056,
title = {Materials Data on NaHF2 by Materials Project},
author = {The Materials Project},
abstractNote = {NaHF2 crystallizes in the triclinic P1 space group. The structure is three-dimensional. Na1+ is bonded in a 6-coordinate geometry to six F1- atoms. There are a spread of Na–F bond distances ranging from 2.30–2.48 Å. H1+ is bonded in a linear geometry to two F1- atoms. There is one shorter (1.14 Å) and one longer (1.15 Å) H–F bond length. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to three equivalent Na1+ and one H1+ atom. In the second F1- site, F1- is bonded in a distorted single-bond geometry to three equivalent Na1+ and one H1+ atom.},
doi = {10.17188/1667056},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}