Perovskite-related structures of Ba₂YAlO₅ and the β and α phases of Ba₆Y₂Al₄O₁₅ containing AlO₄ tetrahedra.

IF 0.7 4区化学 Q4 CHEMISTRY, MULTIDISCIPLINARY

Acta Crystallographica Section C Structural Chemistry Pub Date : 2023-11-01 Epub Date: 2023-10-17 DOI:10.1107/S2053229623008860

Rayko Simura, Yamato Suzuki, Hisanori Yamane

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Abstract

Single crystals of Ba₂YAlO₅ and of the α and β phases of Ba₆Y₂Al₄O₁₅ suitable for X-ray structure analysis were obtained via grain growth of polycrystalline samples prepared by solid-state reactions. Ba₂YAlO₅ was found to have a monoclinic crystal structure, with lattice parameters a = 7.2333 (7), b = 6.0254 (5), c = 7.4294 (7) Å and β = 117.249 (3)°, and to belong to the space group P2₁/m, while α-Ba₆Y₂Al₄O₁₅ was determined to be monoclinic, with a = 5.9019 (2), b = 7.8744 (3), c = 9.6538 (3) Å and β = 107.7940 (10)°, and the space group Pm, and β-Ba₆Y₂Al₄O₁₅ was found to be monoclinic, with a = 7.8310 (2), b = 5.8990 (2), c = 18.3344 (6) Å and β = 91.6065 (11)°, and the space group P2/c. In each of these compounds, BO₆ octahedra in ABO₃ perovskite-type structures were replaced by AlO₄ tetrahedra and YO₆ octahedra. Polycrystalline samples in which some Y atoms were replaced with Eu exhibited orange-red luminescence in the range 580-730 nm in response to exposure to radiation having a wavelength of approximately 250 nm.

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Ba2YAlO5的钙钛矿相关结构以及含有AlO4四面体的Ba6Y2Al4O15的β和α相。

通过固态反应制备的多晶样品的晶粒生长，获得了适合X射线结构分析的Ba2YAlO5单晶和Ba6Y2Al4O15的α相和β相单晶。Ba2YAlO5具有单斜晶体结构，晶格参数a=7.2333 （7），b=6.0254 （5），c=7.4294 （7） Å和β=117.249 （3） α-Ba6Y2Al4O15为单斜晶系，a=5.9019 （2），b=7.7744 （3），c=9.6538 （3） Å和β=107.7940 （10） °，空间群Pm和β-Ba6Y2Al4O15为单斜晶系，a=7.8310 （2），b=5.8990 （2），c=18.3334 （6） Å和β=91.6065 （11） °和空间组P2/c。在这些化合物中的每一种中，ABO3钙钛矿型结构中的BO6八面体被AlO4四面体和YO6八面的体取代。其中一些Y原子被Eu取代的多晶样品在580-730范围内表现出橙红色发光 nm响应于暴露于具有大约250波长的辐射 nm。

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来源期刊

Acta Crystallographica Section C Structural Chemistry CHEMISTRY, MULTIDISCIPLINARYCRYSTALLOGRAPH-CRYSTALLOGRAPHY

CiteScore

1.60

自引率

12.50%

发文量

148

期刊介绍： Acta Crystallographica Section C: Structural Chemistry is continuing its transition to a journal that publishes exciting science with structural content, in particular, important results relating to the chemical sciences. Section C is the journal of choice for the rapid publication of articles that highlight interesting research facilitated by the determination, calculation or analysis of structures of any type, other than macromolecular structures. Articles that emphasize the science and the outcomes that were enabled by the study are particularly welcomed. Authors are encouraged to include mainstream science in their papers, thereby producing manuscripts that are substantial scientific well-rounded contributions that appeal to a broad community of readers and increase the profile of the authors.