Refinement of the crystal structure of Na2Ti3O7

The crystals of Na₂Ti₃O₇ were obtained by crystallization from flux. The structure of the compound was refined from X-ray diffraction data collected on a four-circle diffractometer (2θ/θ scanning technique, λMoK _α radiation, graphite monochromator, θ_max = 40°). The crystals are monoclinic a = 9.133(2) Å, b = 3.806(1) Å, c = 8.566(2) Å, β = 101.57(3)°, sp. gr. P2₁/m, Z = 2, ρ_calcd = 3.435 g/cm³, R = 0.035, 1241 reflections with I ≥ 2σ(I). The geometric characteristics of the Ti-polyhedra are analyzed as to their positions in the trioctahedral ribbon. The polymorphism of the {Ti₃O₇}^2? anionic radical in the structures of Na₂Ti₃O₇ and PbTi₃O₇ is described. The topology and dimensionality of the { Ti₃O₇}^2? anionic radical are demonstrated to depend on the type of the large cations located at the lattice points of the hexagonal close packing characteristic of both structures.