Effect of Sulfur Deficiency on the Structural and Superstructural Features of Ga1.29In3.38S7

IF 0.6 4区 材料科学 Q4 CRYSTALLOGRAPHY Crystallography Reports Pub Date : 2024-02-06 DOI:10.1134/s1063774523600862
M. G. Kyazumov, S. M. Rzayeva, A. S. Avilov
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Abstract

The crystal structure of the 3R polytype with the lattice parameters а = 3.82 Å, с = 63.41 Å, sp. gr. R3m, and the TO\({{\bar {\text{T}}}}\)POOP structural type (T and \({{\bar {\text{T}}}}\) are oppositely oriented tetrahedral layers, O are octahedral layers, P are partially filled interpacket layers) has been established. Superstructures with superlattice period А1,2 = \(\sqrt 7 \)а, formed as a result of occupation of 6/7 of each octahedron with indium in the OOP packet, and a superstructure with the superlattice period А3 = 2а, formed by the distribution of 3/4 of In atoms and 1/4 vacancies over the octahedra included in the TO\({{\bar {\text{T}}}}\)P packet, are also established. It is shown that the different sulfur content in the samples leads to a different excess of cations in the octahedral layers of the TO\({{\bar {\text{T}}}}\)P packets and destruction of the superstructure.

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缺硫对 Ga1.29In3.38S7 结构和超结构特征的影响
Abstract The crystal structure of the 3R polytype with the lattice parameters а = 3.82 Å, с = 63.41 Å, sp. gr.R3m,并建立了 TO\({{\bar {text\{T}}}}\)POOP 结构类型(T 和 \({\bar {text\{T}}}}\) 是相对定向的四面体层,O 是八面体层,P 是部分填充的包间层)。此外,还建立了超晶格周期为А1,2 = \(\sqrt 7 \)а的超结构,这种超结构是由于 OOP 包中的铟占据了每个八面体的 6/7 而形成的;还建立了超晶格周期为А3 = 2а的超结构,这种超结构是由于在 TO({{\bar {\\{T}}}}\ )P 包所包含的八面体上分布了 3/4 的铟原子和 1/4 的空位而形成的。研究表明,样品中不同的硫含量会导致TO({\bar {text\{T}}}})P包八面体层中阳离子的过量和上层结构的破坏。
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来源期刊
Crystallography Reports
Crystallography Reports 化学-晶体学
CiteScore
1.10
自引率
28.60%
发文量
96
审稿时长
4-8 weeks
期刊介绍: Crystallography Reports is a journal that publishes original articles short communications, and reviews on various aspects of crystallography: diffraction and scattering of X-rays, electrons, and neutrons, determination of crystal structure of inorganic and organic substances, including proteins and other biological substances; UV-VIS and IR spectroscopy; growth, imperfect structure and physical properties of crystals; thin films, liquid crystals, nanomaterials, partially disordered systems, and the methods of studies.
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