Refinement of the Crystal Structure of Na₂Ti₃O₇

O. V. Yakubovich* and V. V. Kireev**

* Faculty of Geology, Moscow State University, Leninskie gory, Moscow, 119992 Russia

e-mail: yakubol@geol.msu.ru

** Shubnikov Institute of Crystallography, Russian Academy of Sciences,
Leninski pr. 59, Moscow, 119333 Russia

Received February 26, 2002

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 (2/scanning technique,
MoK radiation, graphite monochromator, _max = 40). The crystals are monoclinic a = 9.133(2) Å, b =
3.806(1) Å, c = 8.566(2) Å, = 101.57(3)°, sp. gr. P2₁/m, Z = 2, _calcd = 3.435 g/cm³ , R = 0.035, 1241 reflec-
tions with I 2(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. © 2003 MAIK “Nauka/Interperiodica”.

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