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:
- Publication Date:
- Other Number(s):
- mp-35683
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- 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)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; NaPF3; F-Na-P
- OSTI Identifier:
- 1207028
- DOI:
- https://doi.org/10.17188/1207028
Citation Formats
The Materials Project. Materials Data on NaPF3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1207028.
The Materials Project. Materials Data on NaPF3 by Materials Project. United States. doi:https://doi.org/10.17188/1207028
The Materials Project. 2020.
"Materials Data on NaPF3 by Materials Project". United States. doi:https://doi.org/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 = {The Materials Project},
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 = {Thu Jul 23 00:00:00 EDT 2020},
month = {Thu Jul 23 00:00:00 EDT 2020}
}
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