Layered copper thioaluminate K2Cu3AlS4: Synthesis, crystal structure, characterization and solid-state 27Al and 39K NMR studies

被引：11

作者：

Alahmari, Fatimah ^{[1
,2
]}

Dey, Somnath ^{[3
,4
]}

Emwas, Abdul-Hamid ^{[3
]}

Davaasuren, Bambar ^{[2
,5
]}

Rothenberger, Alexander ^{[2
]}

机构：

[1] Imam Abdulrahman Bin Faisal Univ, IRMC, Dammam 31441, Saudi Arabia

[2] Div Phys Sci & Engn, Thuwal 239556900, Saudi Arabia

[3] KAUST, Core Labs, Thuwal 239556900, Saudi Arabia

[4] Indian Inst Sci Educ & Res IISER Kolkata, Dept Chem Sci, Mohanpur 741246, W Bengal, India

[5] Forschungszentrum Julich, Inst Energy & Climate Res, Mat Synth & Proc IEK 1, D-52425 Julich, Germany

来源：

JOURNAL OF ALLOYS AND COMPOUNDS | 2019年 / 776卷

关键词：

Thioaluminate; Chalcogenides; Al NMR; K NMR; MILD SOLVOTHERMAL SYNTHESES; QUATERNARY CHALCOGENIDES; METAL CHALCOGENIDES; RB; GE; SULFIDES; SYSTEM; CS; SN; NA;

D O I：

10.1016/j.jallcom.2018.10.239

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

The first example of alkali/transition metal thioaluminates K2Cu3AlS4 was synthesized and characterized. The compound crystallizes in the orthorhombic space group Pnna (no. 52), with unit cell parameters a = 5.471 (6) angstrom, b = 5.468 (6) angstrom and c = 13.111 (1) angstrom, within a pseudo-tetragonal lattice. Its crystal structure consists of 2D [Cu3AlS4](2-) polyanionic anti-PbO type layers, in which Al and Cu atoms share the atomic positions, separated by K+ cations. The (Cu/Al) atomic positions are tetrahedrally coordinated by S atoms, whereas K atoms are surrounded by eight S atoms in a cubic fashion. The coordination environments of the Al and K cations were confirmed by solid-state Al-27 and K-39 NMR, respectively. The title compound is a semiconductor with a direct bandgap of 2.96 eV, and thermally stable up to 550 degrees C. (C) 2018 Elsevier B.V. All rights reserved.

引用

页码：1041 / 1047

页数：7

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