Issue 42, 2015

Synthesis and crystal structure of a new hexagonal perovskite 7H-Ba7Li1.75Mn3.5O15.75 with Mn4+/Mn5+ charge distribution

Abstract

Ba7Li1.75Mn3.5O15.75 is a new hexagonal perovskite whose crystal structure has elements typical for the layered hexagonal perovskites and quasi-one-dimensional oxides, hence representing a new polytype. It has been synthesized via a solid-state microwave route. The crystal structure was solved using a combination of X-ray and neutron diffraction data, which show that Ba7Li1.75Mn3.5O15.75 crystallizes in a hexagonal unit cell with parameters a = 5.66274(2) Å and c = 16.7467(1) Å (V = 465.063(4) Å3), with one formula unit, and can be described as columns of face-shared octahedra occupied by Mn4+ and Li+ cations and vacancies along the c axis separated in the ab plane by barium atoms. Every sixth layer, the coordination of Mn5+ and Li+ changes to tetrahedral. Additional local ordering of manganese and lithium atoms among cationic sites leading to the formation of a rhombohedral supercell has been observed by scanning transmission electron microscopy.

Graphical abstract: Synthesis and crystal structure of a new hexagonal perovskite 7H-Ba7Li1.75Mn3.5O15.75 with Mn4+/Mn5+ charge distribution

Associated articles

Supplementary files

Article information

Article type
Paper
Submitted
22 Apr 2015
Accepted
28 Sep 2015
First published
29 Sep 2015

Dalton Trans., 2015,44, 18527-18535

Author version available

Synthesis and crystal structure of a new hexagonal perovskite 7H-Ba7Li1.75Mn3.5O15.75 with Mn4+/Mn5+ charge distribution

N. V. Tarakina, A. P. Tyutyunnik, G. V. Bazuev, A. D. Vasilev, C. Gould, I. V. Nikolaenko and I. F. Berger, Dalton Trans., 2015, 44, 18527 DOI: 10.1039/C5DT01528F

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