Tolerance Factor and Phase Stability of the Normal Spinel Structure

Song Zhen; Liu Quanlin

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Tolerance Factor and Phase Stability of the Normal Spinel Structure

机译：普通尖晶石结构的公差因子和相位稳定性

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Tolerance factor for the normal-spinel structure is introduced as a structural descriptor to predict the phase stability. It is derived following similar principles as those of perovskite and garnet structures, i.e., the geometrical relationship between multitype polyhedra. The calculation of tolerance factor only requires the ionic radii of compositional components involved. A survey of the tolerance factor over 120 AB(2)X(4)-type compounds proves the reliability. The numerical values are distributed below 1, which originates from the compressed octahedra which support the framework of spinet. The tolerance factor will be helpful in machine learning and high-throughput screening methods for fast evaluation of phase stability and materials properties of spinel-type compounds.

机译：将正常尖晶石结构的公差因子作为结构描述符，以预测相位稳定性。它是根据佩罗夫斯基特和石榴石结构的类似原理推导出类似的原理，即多立方Polyhedra之间的几何关系。耐受性因子的计算仅需要所涉及的组成成分的离子半径。对120 AB（2）X（4）型化合物的公差因子的调查证明了可靠性。数值分布在1以下，源自压缩的八面体，该压缩八面体源于支持丝石盒的框架。公差因子将有助于机器学习和高通量筛选方法，以便快速评估尖晶石型化合物的相位稳定性和材料性质。

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《Crystal growth & design》 |2020年第3期|共5页
作者
Song Zhen; Liu Quanlin;
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Univ Sci &

Technol Beijing Sch Mat Sci &

Engn Beijing Key Lab New Energy Mat &

Technol Beijing 100083 Peoples R China;

Univ Sci &

Technol Beijing Sch Mat Sci &

Engn Beijing Key Lab New Energy Mat &

Technol Beijing 100083 Peoples R China;

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正文语种 eng
中图分类晶体学;
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专利

1. Tolerance Factor and Phase Stability of the Normal Spinel Structure [J] . Song Zhen, Liu Quanlin Crystal growth & design . 2020,第3期

机译：普通尖晶石结构的公差因子和相位稳定性
2. Tolerance factor and phase stability of the garnet structure. Corrigendum [J] . Song Zhen, Zhou Dandan, Liu Quanlin Acta crystallographica. Section C, Structural chemistry. . 2020,第3期

机译：石榴石结构的公差因子和相位稳定性。勘误
3. Tolerance factor and phase stability of the garnet structure [J] . Song Zhen, Zhou Dandan, Liu Quanlin Acta crystallographica. Section C, Structural chemistry. . 2019,第10期

机译：石榴石结构的公差因子和相位稳定性
4. Cycling stability of monoclinic and orthorhombic phase LiMnO_2: formation of antiphase and ferroelastic domains in transformed spinel [C] . Haifeng Wang, Young-Il Jang, Yet-Ming Chiang American Ceramic Society . 2000

机译：单斜晶型和正交相的循环稳定性LiMnO_2：转化尖晶石中抗磷酶和铁弹性域的形成
5. Identification and Characterization of Novel Factors that Influence Minisatellite Stability in Stationary Phase Yeast Cells. [D] . Alver, Bonnie Maureen. 2012

机译：鉴定和表征影响平稳期酵母细胞中微卫星稳定性的新因素。
6. Hierarchically Structured Porous Spinels via an Epoxide-MediatedSol–Gel Process Accompanied by Polymerization-Induced PhaseSeparation [O] . Jan Herwig, Juliane Titus, Jens Kullmann, 2018

机译：通过环氧化物介导的分层结构的多孔尖晶石聚合诱导相伴随的溶胶-凝胶工艺分离
7. Investigation on the phase stability and defect structure of Li-Mn-O and Li-Me-Mn-O spinel (Me=Mg, Ni, Co) [O] . Luo Chunhui 2005

机译：Li-Mn-O和Li-Me-Mn-O尖晶石（Me = Mg，Ni，Co）的相稳定性和缺陷结构的研究
8. Tables of two-sided tolerance factors for normal distributions [R] . Benedict, A. G., Chamberlain, R. G. 1965

机译：正态分布的双侧容差因子表

Tolerance Factor and Phase Stability of the Normal Spinel Structure

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