TY - JOUR
T1 - Redetermination of Nd2Ti2O7
T2 - A non-centrosymmetric structure with perovskite-type slabs
AU - Ishizawa, Nobuo
AU - Ninomiya, Keisuke
AU - Sakakura, Terutoshi
AU - Wang, Jun
PY - 2013/4
Y1 - 2013/4
N2 - Single crystals of dineodymium(III) dititanium(IV) heptaoxide, Nd 2Ti2O7, 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].
AB - Single crystals of dineodymium(III) dititanium(IV) heptaoxide, Nd 2Ti2O7, 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].
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U2 - 10.1107/S1600536813005497
DO - 10.1107/S1600536813005497
M3 - Article
C2 - 23633981
AN - SCOPUS:84875984326
VL - 69
SP - i19
JO - Acta Crystallographica Section E: Structure Reports Online
JF - Acta Crystallographica Section E: Structure Reports Online
SN - 1600-5368
IS - 4
ER -