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Title: Materials Data on NaPF3 by Materials Project

Abstract

NaPF3 crystallizes in the triclinic P1 space group. The structure is two-dimensional and consists of one NaPF3 sheet oriented in the (-1, 1, 1) direction. Na is bonded in a distorted T-shaped geometry to three F atoms. There are two shorter (2.18 Å) and one longer (2.32 Å) Na–F bond lengths. P is bonded in a distorted T-shaped geometry to three F atoms. There is one shorter (1.66 Å) and two longer (1.80 Å) P–F bond length. There are three inequivalent F sites. In the first F site, F is bonded in a linear geometry to one Na and one P atom. In the second F site, F is bonded in a linear geometry to one Na and one P atom. In the third F site, F is bonded in a bent 150 degrees geometry to one Na and one P atom.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-35683
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; NaPF3; F-Na-P
OSTI Identifier:
1207028
DOI:
10.17188/1207028

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on NaPF3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1207028.
Persson, Kristin, & Project, Materials. Materials Data on NaPF3 by Materials Project. United States. doi:10.17188/1207028.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on NaPF3 by Materials Project". United States. doi:10.17188/1207028. https://www.osti.gov/servlets/purl/1207028. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1207028,
title = {Materials Data on NaPF3 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {NaPF3 crystallizes in the triclinic P1 space group. The structure is two-dimensional and consists of one NaPF3 sheet oriented in the (-1, 1, 1) direction. Na is bonded in a distorted T-shaped geometry to three F atoms. There are two shorter (2.18 Å) and one longer (2.32 Å) Na–F bond lengths. P is bonded in a distorted T-shaped geometry to three F atoms. There is one shorter (1.66 Å) and two longer (1.80 Å) P–F bond length. There are three inequivalent F sites. In the first F site, F is bonded in a linear geometry to one Na and one P atom. In the second F site, F is bonded in a linear geometry to one Na and one P atom. In the third F site, F is bonded in a bent 150 degrees geometry to one Na and one P atom.},
doi = {10.17188/1207028},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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