Refinement of the crystal structure of Na2Ti3O7
Abstract
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, λMoKα radiation, graphite monochromator, θmax = 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, ρcalcd = 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.
- Publication:
-
Crystallography Reports
- Pub Date:
- January 2003
- DOI:
- 10.1134/1.1541737
- Bibcode:
- 2003CryRp..48...24Y
- Keywords:
-
- Radiation;
- Reflection;
- Crystallization;
- Graphite;
- Crystal Structure