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

Fatimah S. Alahmary, Somnath Dey, Abdul-Hamid M. Emwas, Bambar Davaasuren, Alexander Rothenberger

Research output: Contribution to journalArticlepeer-review

5 Scopus citations

Abstract

The first example of alkali/transition metal thioaluminates KCuAlS was synthesized and characterized. The compound crystallizes in the orthorhombic space group Pnna (no. 52), with unit cell parameters a = 5.471 (6) Å b = 5.468 (6) Å and c = 13.111 (1) Å within a pseudo-tetragonal lattice. Its crystal structure consists of 2D [CuAlS] 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 and K NMR, respectively. The title compound is a semiconductor with a direct bandgap of 2.96 eV, and thermally stable up to 550 °C.
Original languageEnglish (US)
Pages (from-to)1041-1047
Number of pages7
JournalJournal of Alloys and Compounds
Volume776
DOIs
StatePublished - Oct 25 2018

Fingerprint Dive into the research topics of 'Layered copper thioaluminate K2Cu3AlS4: Synthesis, crystal structure, characterization and solid-state 27Al and 39K NMR studies'. Together they form a unique fingerprint.

Cite this