钕钛酸钇（Nd2Ti2O7）的重新测定：一种具有钙钛矿型板层的非中心对称结构。
Redetermination of Nd2Ti2O7: a non-centrosymmetric structure with perovskite-type slabs.
作者信息
Ishizawa Nobuo, Ninomiya Keisuke, Sakakura Terutoshi, Wang Jun
机构信息
Advanced Ceramics Research Center, Nagoya Institute of Technology, Asahigaoka 10-6-29, Tajimi 507-0071, Japan.
出版信息
Acta Crystallogr Sect E Struct Rep Online. 2013 Mar 6;69(Pt 4):i19. doi: 10.1107/S1600536813005497. Print 2013 Apr 1.
Single crystals of dineodymium(III) dititanium(IV) hepta-oxide, 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 octa-hedra. The Nd and Ti ions are displaced from the geometrical centres of respective coordin-ation 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].
通过助熔剂法合成了七氧化二钕（III）二钛（IV）单晶Nd2Ti2O7，发现其属于具有钙钛矿型结构单元的化合物家族。不对称单元包含四个Nd、四个Ti和14个O原子位点。钙钛矿型板平行于（010）堆叠，厚度相当于四个共角的TiO6八面体。Nd和Ti离子从各自配位多面体的几何中心位移，从而沿c轴产生净极化。所研究的晶体均为孪晶，与该化合物的首次结构测定[Scheunemann & Müller-Buschbaum (1975 ▶). J. Inorg. Nucl. Chem. 37, 2261-2263]相比，单斜晶胞减半。
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