稀土正长石固溶体的形成分析

IF 1.2 4区 化学 Q4 CHEMISTRY, INORGANIC & NUCLEAR
V. D. Zhuravlev, E. A. Sherstobitova
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引用次数: 0

摘要

分析了LnCrO3 (Ln = La-Lu, Y)正铬铁矿单体胞参数(UCPs)与Ln3+阳离子有效离子半径的关系。结果表明,这些依赖关系可以用下列方程来描述:\(a = {69}.{831}R_{\text{Ln}}^{3}-{223}.{91}R_{\text{Ln}}^{2}\text{+} {238}.{76}{{R}_{\text{Ln}}}-{79}.{162}\) Å;b = 1.5893RLn + 5.9242 Å, c = 1.8469 RLn + 3.3691 Å, V = 121.85RLn + 93.97 Å3,其中RLn为Ln3+阳离子的有效离子半径,置信概率分别为0.775、0.989、0.998、0.990。所得方程可用于利用取代Ln3+阳离子的平均有效半径对稀土正铬矿(包括高熵正铬矿)等价固体取代溶液的ucp进行先验计算。计算了稀土矿、铋矿、铊矿和铟矿的容差系数。考虑了稀土正铬矿与非同构BiCrO3和ScCrO3铬矿相互作用形成正交钙钛矿结构的可能性。
本文章由计算机程序翻译,如有差异,请以英文原文为准。

Analysis of the Formation of Solid Solutions of REE Orthochromites

Analysis of the Formation of Solid Solutions of REE Orthochromites

The dependence of unit cell parameters (UCPs) of LnCrO3 (Ln = La–Lu, Y) orthochromites on effective ionic radii of Ln3+ cations is analyzed. It is shown that these dependences can be described by the following equations: \(a = {69}.{831}R_{\text{Ln}}^{3}-{223}.{91}R_{\text{Ln}}^{2}\text{+} {238}.{76}{{R}_{\text{Ln}}}-{79}.{162}\) Å; b = 1.5893RLn + 5.9242 Å, c = 1.8469 RLn + 3.3691 Å, and V = 121.85RLn + 93.97 Å3, where RLn is the effective ionic radius of the Ln3+ cation with a confidence probability of 0.775, 0.989, 0.998, and 0.990, respectively. The obtained equations can be use in a priory calculations of the UCPs of isovalent solid substitution solutions of REE orthochromites (including high-entropy ones) using average effective radii of substituted Ln3+ cations. The tolerance factors of REE-, bismuth-, thallium-, and indium orthochromites are calculated. The possibility that an orthorhombic perovskite structure can be formed by the interaction of REE orthochromites with non-isostructural BiCrO3 and ScCrO3 chromites is considered.

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来源期刊
Journal of Structural Chemistry
Journal of Structural Chemistry 化学-无机化学与核化学
CiteScore
1.60
自引率
12.50%
发文量
142
审稿时长
8.3 months
期刊介绍: Journal is an interdisciplinary publication covering all aspects of structural chemistry, including the theory of molecular structure and chemical bond; the use of physical methods to study the electronic and spatial structure of chemical species; structural features of liquids, solutions, surfaces, supramolecular systems, nano- and solid materials; and the crystal structure of solids.
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