Received 17 January 2013
aAdvanced Ceramics Research Center, Nagoya Institute of Technology, Asahigaoka 10-6-29, Tajimi 507-0071, Japan,bInstitute of Multidisciplinary Research for Advanced Materials, Tohoku University, Katahira 2-1-1, Aoba-ku, Sendai 980-8577, Japan, and cSchool of Materials Science & Engineering, Inner Mongolia University of Technology, Hohhot 010051, People's Republic of China
Correspondence e-mail: email@example.com
Single crystals of dineodymium(III) dititanium(IV) heptaoxide, Nd2Ti2O7, were synthesized by the flux method and found to belong to the family of compounds with perovskite-type structural motifs. The asymmetric unit contains four Nd, four Ti and 14 O-atom sites. The perovskite-type slabs are stacked parallel to (010) with a thickness corresponding to four corner-sharing TiO6 octahedra. The Nd and Ti ions are displaced from the geometrical centres of respective coordination polyhedra so that the net polarization occurs along the c axis. The investigated crystals were all twinned and have a halved monoclinic unit cell in comparison with the first structure determination of this compound [Scheunemann & Müller-Buschbaum (1975). J. Inorg. Nucl. Chem. 37, 2261-2263].
For previous determinations of Nd2Ti2O7, see: Scheunemann & Müller-Buschbaum (1975); Harvey et al. (2005). For related compounds, see: Gasperin (1975); Ishizawa et al. (1980); Schmalle et al. (1993). For the extinction method, see: Becker & Coppens (1974).
Data collection: APEX2 (Bruker, 2008); cell refinement: SAINT (Bruker, 2008); data reduction: SAINT; program(s) used to solve structure: SUPERFLIP (Palatinus & Chapuis, 2007); program(s) used to refine structure: JANA2006 (Petrícek et al., 2006); molecular graphics: ATOMS (Dowty, 2006) and DIAMOND (Brandenburg & Putz, 2005); software used to prepare material for publication: PLATON (Spek, 2009) and publCIF (Westrip, 2010).
Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: WM2720 ).
This work was supported by JSPS KAKENHI grant No. 22360272.
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