Preparation and structural study from neutron diffraction data of RCoO3 (R = Pr, Tb, Dy, Ho, Er, Tm, Yb, Lu) perovskites

Alonso JA; Martinez-Lope MJ; de la Calle C; Pomjakushin V

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Preparation and structural study from neutron diffraction data of RCoO3 (R = Pr, Tb, Dy, Ho, Er, Tm, Yb, Lu) perovskites

机译：钙钛矿型RCoO3（R = Pr，Tb，Dy，Ho，Er，Tm，Yb，Lu）的中子衍射数据的制备及结构研究

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RCoO3 perovskites (R = Pr, Tb, Dy, Ho, Er, Tm, Yb, Lu) have been prepared in a polycrystalline form by thermal treatment in air (R = Pr, Tb, Dy), under O-2 pressure ( 200 bar) (R = Ho, Er) or moderate hydrostatic pressures (20 kbar) (R = Tm, Yb, Lu). The samples have been studied at room temperature by high-resolution neutron powder diffraction to follow the evolution of the crystal structures along the series. In all cases, the structure is orthorhombic, space group Pbnm. The spontaneous orthorhombic strain and the tilting angle of the CO6 octahedra progressively increase from Pr to Lu due to simple steric factors. The CoO6 octahedra also undergo a progressive axial deformation along the series, which cannot be ascribed to electronic factors, given the low-spin configuration exhibited at room temperature by Co3+ (t(2g)(6)e(g)(0)) cations for R = Tb. Lu. The stability of the crystal structure is discussed in the light of bond-valence arguments.

机译：RCoO3钙钛矿（R = Pr，Tb，Dy，Ho，Er，Tm，Yb，Lu）是通过在O-2压力下于空气中（R = Pr，Tb，Dy）进行热处理（200）制成的多晶形式。 bar（R = Ho，Er）或中等静水压力（20 kbar）（R = Tm，Yb，Lu）。已在室温下通过高分辨率中子粉末衍射对样品进行了研究，以追踪该系列晶体结构的演变。在所有情况下，结构都是正交的空间群Pbnm。由于简单的空间因素，自斜方晶应变和八面体CO6八面体的倾斜角从Pr逐渐增加到Lu。考虑到Co3 +（t（2g）（6）e（g）（0））阳离子在室温下表现出的低自旋构型，CoO6八面体也沿该系列经历了逐渐的轴向变形，这不能归因于电子因素对于R = Tb。鲁。根据键价论点讨论了晶体结构的稳定性。

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《Journal of Materials Chemistry: An Interdisciplinary Journal dealing with Synthesis, Structures, Properties and Applications of Materials, Particulary Those Associated with Advanced Technology》 |2006年第16期|共6页
作者
Alonso JA; Martinez-Lope MJ; de la Calle C; Pomjakushin V;
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正文语种 eng
中图分类工程材料学;
关键词
SPIN-STATE; LA1-XSRXCOO3; TRANSITION; TEMPERATURE; ORDER; ND; MAGNETORESISTANCE; OCTAHEDRA; TRANSPORT; MEMBRANES;

机译：旋转状态;LA1-XSRXCOO3;转变;温度;顺序;ND;磁阻;八面体;运输;膜;

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2. Preparation and structural study from neutron diffraction data of RCoO3 (R = Pr, Tb, Dy, Ho, Er, Tm, Yb, Lu) perovskites [J] . Alonso JA, Martinez-Lope MJ, de la Calle C, Journal of Materials Chemistry: An Interdisciplinary Journal dealing with Synthesis, Structures, Properties and Applications of Materials, Particulary Those Associated with Advanced Technology . 2006,第16期

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Preparation and structural study from neutron diffraction data of RCoO3 (R = Pr, Tb, Dy, Ho, Er, Tm, Yb, Lu) perovskites

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