Redetermination of Nd2Ti2O7: A non-centrosymmetric structure with perovskite-type slabs

Nobuo Ishizawa; Keisuke Ninomiya; Terutoshi Sakakura; Jun Wang

doi:10.1107/S1600536813005497

Redetermination of Nd₂Ti₂O₇: A non-centrosymmetric structure with perovskite-type slabs

Nobuo Ishizawa, Keisuke Ninomiya, Terutoshi Sakakura, Jun Wang

Division of Measurements

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Abstract

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].

Original language	English
Pages (from-to)	i19
Journal	Acta Crystallographica Section E: Structure Reports Online
Volume	69
Issue number	4
DOIs	https://doi.org/10.1107/S1600536813005497
Publication status	Published - 2013 Apr

ASJC Scopus subject areas

Chemistry(all)
Materials Science(all)
Condensed Matter Physics

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title = "Redetermination of Nd2Ti2O7: A non-centrosymmetric structure with perovskite-type slabs",

abstract = "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 & M{\"u}ller-Buschbaum (1975). J. Inorg. Nucl. Chem. 37, 2261-2263].",

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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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Redetermination of Nd₂Ti₂O₇: A non-centrosymmetric structure with perovskite-type slabs

Abstract

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