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: firstname.lastname@example.org
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.
Becker, P. J. & Coppens, P. (1974). Acta Cryst. A30, 129-147.
Brandenburg, K. & Putz, H. (2005). DIAMOND. Crystal Impact GbR, Bonn, Germany.
Bruker (2008). APEX2, SAINT and TWINABS. Bruker AXS Inc., Madison, Wisconsin, USA.
Dowty, E. (2006). ATOMS. Shape Software, Kingsport, Tennessee, USA.
Flack, H. D. (1983). Acta Cryst. A39, 876-881.
Gasperin, M. (1975). Acta Cryst. B31, 2129-2130.
Harvey, E. J., Whittle, K. R., Lumpkin, G. R., Smith, R. I. & Redfern, S. A. T. (2005). J. Solid State Chem. 178, 800-810.
Ishizawa, N., Marumo, F., Iwai, S., Kimura, M. & Kawamura, T. (1980). Acta Cryst. B36, 763-766.
Palatinus, L. & Chapuis, G. (2007). J. Appl. Cryst. 40, 786-790.
Petrícek, V., Dusek, M. & Palatinus, L. (2006). JANA2006. Institute of Physics, Praha, Czech Republic.
Scheunemann, K. & Müller-Buschbaum, H. (1975). J. Inorg. Nucl. Chem. 37, 2261-2263.
Schmalle, H. W., Williams, T., Reller, A., Linden, A. & Bednorz, J. G. (1993). Acta Cryst. B49, 235-244.
Spek, A. L. (2009). Acta Cryst. D65, 148-155.
Westrip, S. P. (2010). J. Appl. Cryst. 43, 920-925.