On the Crystal Structure and Conductivity of Na3P

Henrik Eickhoff; Christian Dietrich; Wilhelm Klein; Wolfgang G. Zeier; Thomas F. Fässler

doi:10.1002/zaac.202000308

On the Crystal Structure and Conductivity of Na₃P

Henrik Eickhoff
, Christian Dietrich
, Wilhelm Klein
, Wolfgang G. Zeier
, Thomas F. Fässler

Chair of Inorganic Chemistry with Focus on New Materials

Technical University of Munich
Justus-Liebig-Universität Gießen
University of Münster

Research output: Contribution to journal › Article › peer-review

18 Scopus citations

Abstract

As a potential material for Na-ion battery systems and on the basis of a structural discussion of compounds formerly believed to crystallize in the so-called Na₃As type the structure of Na₃P has been reinvestigated. Na₃P is found to crystallize in the Cu₃P type, analogous to Na₃As and is described by a three times larger unit cell [P6₃cm, a = 8.61224(10) Å and c = 8.81949(10) Å] compared to the former model [P6₃/mmc, a = 4.9512(5) Å and c = 8.7874(13) Å]. As a structural manifestation of this symmetry reduction corrugated layers of Na and P atoms are observed which had formerly to be described as planar. The high purity of the material further enables the determination of its properties, showing mainly semiconducting behavior with a conductivity of 12 S·cm^–1 at room temperature.

Original language	English
Pages (from-to)	28-33
Number of pages	6
Journal	Zeitschrift fur Anorganische und Allgemeine Chemie
Volume	647
Issue number	2-3
DOIs	https://doi.org/10.1002/zaac.202000308
State	Published - 11 Feb 2021

UN SDGs

This output contributes to the following UN Sustainable Development Goals (SDGs)

SDG 7 Affordable and Clean Energy

Keywords

Conductivity
Crystal structure
Impedance spectroscopy
Phosphorus
Sodium phosphide

Access to Document

10.1002/zaac.202000308

Cite this

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title = "On the Crystal Structure and Conductivity of Na3P",

abstract = "As a potential material for Na-ion battery systems and on the basis of a structural discussion of compounds formerly believed to crystallize in the so-called Na3As type the structure of Na3P has been reinvestigated. Na3P is found to crystallize in the Cu3P type, analogous to Na3As and is described by a three times larger unit cell [P63cm, a = 8.61224(10) {\AA} and c = 8.81949(10) {\AA}] compared to the former model [P63/mmc, a = 4.9512(5) {\AA} and c = 8.7874(13) {\AA}]. As a structural manifestation of this symmetry reduction corrugated layers of Na and P atoms are observed which had formerly to be described as planar. The high purity of the material further enables the determination of its properties, showing mainly semiconducting behavior with a conductivity of 12 S·cm–1 at room temperature.",

keywords = "Conductivity, Crystal structure, Impedance spectroscopy, Phosphorus, Sodium phosphide",

author = "Henrik Eickhoff and Christian Dietrich and Wilhelm Klein and Zeier, \{Wolfgang G.\} and F{\"a}ssler, \{Thomas F.\}",

note = "Publisher Copyright: {\textcopyright} 2020 The Authors. Zeitschrift f{\"u}r anorganische und allgemeine Chemie published by Wiley-VCH GmbH",

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T1 - On the Crystal Structure and Conductivity of Na3P

AU - Eickhoff, Henrik

AU - Dietrich, Christian

AU - Klein, Wilhelm

AU - Zeier, Wolfgang G.

AU - Fässler, Thomas F.

PY - 2021/2/11

Y1 - 2021/2/11

N2 - As a potential material for Na-ion battery systems and on the basis of a structural discussion of compounds formerly believed to crystallize in the so-called Na3As type the structure of Na3P has been reinvestigated. Na3P is found to crystallize in the Cu3P type, analogous to Na3As and is described by a three times larger unit cell [P63cm, a = 8.61224(10) Å and c = 8.81949(10) Å] compared to the former model [P63/mmc, a = 4.9512(5) Å and c = 8.7874(13) Å]. As a structural manifestation of this symmetry reduction corrugated layers of Na and P atoms are observed which had formerly to be described as planar. The high purity of the material further enables the determination of its properties, showing mainly semiconducting behavior with a conductivity of 12 S·cm–1 at room temperature.

AB - As a potential material for Na-ion battery systems and on the basis of a structural discussion of compounds formerly believed to crystallize in the so-called Na3As type the structure of Na3P has been reinvestigated. Na3P is found to crystallize in the Cu3P type, analogous to Na3As and is described by a three times larger unit cell [P63cm, a = 8.61224(10) Å and c = 8.81949(10) Å] compared to the former model [P63/mmc, a = 4.9512(5) Å and c = 8.7874(13) Å]. As a structural manifestation of this symmetry reduction corrugated layers of Na and P atoms are observed which had formerly to be described as planar. The high purity of the material further enables the determination of its properties, showing mainly semiconducting behavior with a conductivity of 12 S·cm–1 at room temperature.

KW - Conductivity

KW - Crystal structure

KW - Impedance spectroscopy

KW - Phosphorus

KW - Sodium phosphide

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DO - 10.1002/zaac.202000308

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JO - Zeitschrift fur Anorganische und Allgemeine Chemie

JF - Zeitschrift fur Anorganische und Allgemeine Chemie

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