Synthesis and crystal structure of the novel Pb5Sb2MnO11 compound

Abstract

The new Pb5Sb2MnO11 compound was synthesized using a solid-state reaction in an evacuated sealed silica tube at 650°C. The crystal structure was determined ab initio using a combination of X-ray powder diffraction, electron diffraction and high-resolution electron microscopy (a=9.0660(8)Å, b=11.489(1)Å, c=10.9426(9)Å, S.G. Cmcm, RI=0.045, RP=0.059). The Pb5Sb2MnO11 crystal structure represents a new structure type and it can be considered as quasi-one-dimensional, built up of chains running along the c-axis and consisting of alternating Mn+2O7 capped trigonal prisms and Sb2O10 pairs of edge sharing Sb+5O6 octahedra. The chains are joined together by Pb atoms located between the chains. The Pb+2 cations have virtually identical coordination environments with a clear influence of the lone electron pair occupying one vertex of the PbO5E octahedra. Electronic structure calculations and electron localization function distribution analysis were performed to define the nature of the structural peculiarities. Pb5Sb2MnO11 exhibits paramagnetic behavior down to T=5 K with Weiss constant being nearly equal to zero that implies lack of cooperative magnetic interactions.