On the Crystal Structure and Conductivity of Na 3 P | Zendy

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

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On the Crystal Structure and Conductivity of Na 3 P

Author(s) -

Eickhoff Henrik,

Dietrich Christian,

Klein Wilhelm,

Zeier Wolfgang. G.,

Fässler Thomas F.

Publication year - 2021

Publication title -

zeitschrift für anorganische und allgemeine chemie

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 0.354

H-Index - 66

eISSN - 1521-3749

pISSN - 0044-2313

DOI - 10.1002/zaac.202000308

Subject(s) - conductivity , crystallography , crystal structure , planar , ion , electrical resistivity and conductivity , chemistry , materials science , structure type , symmetry (geometry) , physics , computer graphics (images) , geometry , mathematics , organic chemistry , quantum mechanics , computer science

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 Na 3 As type the structure of Na 3 P has been reinvestigated. Na 3 P is found to crystallize in the Cu 3 P type, analogous to Na 3 As and is described by a three times larger unit cell [ P 6 3 cm, a = 8.61224(10) Å and c = 8.81949(10) Å] compared to the former model [ P 6 3 / 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.

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