Features of the crystal structure of 2D honeycomb frustrated magnet Li₂Ni₂TeO₆

Abstract

Using neutron powder diffraction at a temperature of 35 K, slightly above the Neel temperature, the features of the crystal structure of two samples of layered honeycomb oxides of the same stoichiometric composition Li2Ni2TeO6 synthesized from precursors, Na2Ni2TeO6 and K2Ni2TeO6, were determined. They have a similar crystal structure, hexagonal space group P63/mcm, structure type P2, but there is a significant difference in the distances between the layers. Both Li2Ni2TeO6 samples crystallize into the orthorhombic space group Cmca, with minor differences in the unit lattice parameters. If Li2Ni2TeO6 from the potassium precursor is single-phase, then the compound from the sodium precursor contains 16 wt % of an additional phase with the same Li2Ni2TeO6 stoichiometry, but more deformed with monoclinic distortions described by the С2/m space group.