Coupled commensurate cation and charge modulation in the tunneled structure, Na(0.40(2))MnO(2)

Izabela Kruk; Pawel Zajdel; Wouter van Beek; Ioanna Bakaimi; Alexandros Lappas; Chris Stock; Mark A Green

doi:10.1021/ja109707q

Coupled commensurate cation and charge modulation in the tunneled structure, Na(0.40(2))MnO(2)

J Am Chem Soc. 2011 Sep 7;133(35):13950-6. doi: 10.1021/ja109707q. Epub 2011 Aug 12.

Authors

Izabela Kruk¹, Pawel Zajdel, Wouter van Beek, Ioanna Bakaimi, Alexandros Lappas, Chris Stock, Mark A Green

Affiliation

¹ NIST Center for Neutron Research, National Institute of Standards and Technology, Gaithersburg, Maryland 20899, United States.

PMID: 21800890
DOI: 10.1021/ja109707q

Abstract

Na(0.40(2))MnO(2) belongs to a family of mixed Mn(3+) and Mn(4+) porous oxides that contains both octahedral and square pyramidal Mn-O units. Neutron and synchrotron radiation studies identify the presence of both sodium ordering (T(Na) ≈ 310 K) and Mn charge and orbital ordering. Below T(Na), the centrosymmetric Pbam structure adopts an (ab 4c) supercell of Pnnm symmetry that accommodates a coupled commensurate modulation down the c-axis channels of both Na position and occupancy with Mn valence.